From 7085849c26692996cc326e3c52acae56291f13a9 Mon Sep 17 00:00:00 2001
From: Jake Churchill <jake.churchill@nrel.gov>
Date: Wed, 6 May 2026 13:19:23 -0600
Subject: [PATCH 01/12] Initial commit with parameter sweep components

---
 .../surrogate_models/energy_param_sweep.py    |  99 +++++++++++
 src/wrd/surrogate_models/param_sweep_fxs.py   | 162 ++++++++++++++++++
 2 files changed, 261 insertions(+)
 create mode 100644 src/wrd/surrogate_models/energy_param_sweep.py
 create mode 100644 src/wrd/surrogate_models/param_sweep_fxs.py

diff --git a/src/wrd/surrogate_models/energy_param_sweep.py b/src/wrd/surrogate_models/energy_param_sweep.py
new file mode 100644
index 0000000..124a01b
--- /dev/null
+++ b/src/wrd/surrogate_models/energy_param_sweep.py
@@ -0,0 +1,99 @@
+# Imports
+from pprint import pprint
+from IPython import get_ipython
+from watertap.core.solvers import get_solver
+from parameter_sweep import ParameterSweep
+from wrd.surrogate_models.param_sweep_fxs import (
+    optimize,
+    build_flowsheet,
+    build_sweep_params,
+    build_outputs,
+)
+
+
+def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
+    solver = get_solver()
+    kwargs_dict = {
+        # Arguments being used in the demo
+        "h5_results_file_name": "ps_demo.h5",  # Resulting output file name
+        "build_model": build_flowsheet,  # Function that builds the flowsheet model
+        "build_model_kwargs": dict(scenario=None, op_limts=op_limits),
+        "build_sweep_params": build_sweep_params,  # Function for building sweep param dictionary
+        "build_sweep_params_kwargs": dict(
+            num_samples=num_samples, var_lims=var_lims, scenario="default"
+        ),
+        "build_outputs": build_outputs,  # Function the builds outputs to save
+        "build_outputs_kwargs": {},
+        "optimize_function": optimize,  # Optimize flow sheet function
+        "optimize_kwargs": {"solver": solver, "check_termination": False},
+        "initialize_function": None,
+        "initialize_kwargs": {},
+        "parallel_back_end": "MultiProcessing",  # ConcurrentFutures, MPI, Ray available
+        "number_of_subprocesses": num_procs,
+        # Additional useful keyword arguments
+        "csv_results_file_name": None,  # For storing results as CSV
+        "h5_parent_group_name": None,  # Useful for loop tool
+        "update_sweep_params_before_init": False,
+        "initialize_before_sweep": False,
+        "reinitialize_function": None,
+        "reinitialize_kwargs": {},
+        "reinitialize_before_sweep": False,
+        "probe_function": None,
+        # Post-processing arguments
+        "interpolate_nan_outputs": False,
+        # Advanced Users
+        "debugging_data_dir": None,
+        "log_model_states": False,
+        "custom_do_param_sweep": None,  # Advanced users only!
+        "custom_do_param_sweep_kwargs": {},
+    }
+    ps = ParameterSweep(**kwargs_dict)
+    return ps, kwargs_dict
+
+
+num_samples = 4
+num_procs = 4
+op_limts = {
+    "Stage 1": {
+        "RR_min": 0.55,
+        "RR_max": 0.62,
+        "Qin_min": 420 / 3600,
+        "Qin_max": 635 / 3600,
+    },
+    "Stage 2": {
+        "RR_min": 0.55,
+        "RR_max": 0.62,
+        "Qin_min": 200 / 3600,
+        "Qin_max": 251 / 3600,
+    },
+    "Stage 3": {
+        "RR_min": 0.40,
+        "RR_max": 0.52,
+        "Qin_min": 75 / 3600,
+        "Qin_max": 126 / 3600,
+    },
+}
+var_lims = {
+    "RR_lb": 0.88,
+    "RR_ub": 0.93,
+    "Qin_lb": 420 / 3600,  # m3/s
+    "Qin_ub": 635 / 3600,  # m3/s
+}
+ps, kwargs_dict = create_parameter_sweep_object(
+    num_samples, num_procs, op_limts, var_lims
+)
+
+results_array, results_dict = ps.parameter_sweep(
+    kwargs_dict["build_model"],
+    kwargs_dict["build_sweep_params"],
+    build_outputs=kwargs_dict["build_outputs"],
+    build_outputs_kwargs=kwargs_dict["build_outputs_kwargs"],
+    num_samples=num_samples,
+    seed=None,
+    build_model_kwargs=kwargs_dict["build_model_kwargs"],
+    build_sweep_params_kwargs=kwargs_dict["build_sweep_params_kwargs"],
+)
+
+# Display and save results
+pprint(results_dict)
+pprint(results_array)
diff --git a/src/wrd/surrogate_models/param_sweep_fxs.py b/src/wrd/surrogate_models/param_sweep_fxs.py
new file mode 100644
index 0000000..b2ec295
--- /dev/null
+++ b/src/wrd/surrogate_models/param_sweep_fxs.py
@@ -0,0 +1,162 @@
+from watertap.core.solvers import get_solver
+from parameter_sweep import LinearSample, get_sweep_params_from_yaml
+from wrd.components.ro_train import *
+from pyomo.environ import value, solve, ConcreteModel, TransformationFactory, units as pyunits
+from pyomo.network import Arc
+from srp.utils import touch_flow_and_conc
+from idaes.models.unit_models import (
+    Feed,
+    Product,
+)
+from idaes.core import FlowsheetBlock
+from watertap.property_models.NaCl_T_dep_prop_pack import NaClParameterBlock
+from idaes.core.util.scaling import calculate_scaling_factors
+from idaes.core.util.initialization import propagate_state
+from idaes.core.util.model_statistics import degrees_of_freedom
+
+# Build flowsheet function
+def build_flowsheet(op_limts=None):
+    m = ConcreteModel()
+    m.fs = FlowsheetBlock(dynamic=False)
+    m.fs.properties = NaClParameterBlock()
+
+    m.fs.feed = Feed(property_package=m.fs.properties)
+    touch_flow_and_conc(m.fs.feed)
+
+    m.fs.ro_train = FlowsheetBlock(dynamic=False)
+    build_ro_train(
+        m.fs.ro_train,
+        num_stages=3,
+        prop_package=m.fs.properties,
+        file="wrd_inputs_8_19_21.yaml",
+    )
+
+    m.fs.product = Product(property_package=m.fs.properties)
+    touch_flow_and_conc(m.fs.product)
+    m.fs.brine = Product(property_package=m.fs.properties)
+    touch_flow_and_conc(m.fs.brine)
+
+    # Arcs to connect the unit models
+    m.fs.feed_to_train = Arc(
+        source=m.fs.feed.outlet,
+        destination=m.fs.ro_train.feed.inlet,
+    )
+    m.fs.train_to_product = Arc(
+        source=m.fs.ro_train.product.outlet,
+        destination=m.fs.product.inlet,
+    )
+    m.fs.train_to_brine = Arc(
+        source=m.fs.ro_train.disposal.outlet,
+        destination=m.fs.brine.inlet,
+    )
+
+    TransformationFactory("network.expand_arcs").apply_to(m)
+
+    m.fs.properties.set_default_scaling(
+        "flow_mass_phase_comp", 1e-1, index=("Liq", "H2O")  # changed from 1
+    )
+    m.fs.properties.set_default_scaling(
+        "flow_mass_phase_comp", 1e2, index=("Liq", "NaCl")
+    )
+
+    set_ro_train_scaling(m.fs.ro_train)
+    calculate_scaling_factors(m)
+
+    # Set feed and operational conditions
+    m.fs.feed.properties.calculate_state(
+    var_args={
+        ("flow_vol_phase", ("Liq")): 2650 * pyunits.gallons / pyunits.minute,
+        ("conc_mass_phase_comp", ("Liq", "NaCl")): 0.5 * pyunits.g / pyunits.L,
+        ("pressure", None): 35.4 * pyunits.psi,
+        ("temperature", None): 298.15 * pyunits.K,
+    },
+    hold_state=True,
+    )
+    set_ro_train_op_conditions(m.fs.ro_train)
+    # Set limits on each stage recovery and flowrate
+    for i in m.fs.ro_train.stages:
+        m.fs.ro_train.stage[i].recovery_vol_phase[0, "Liq"].setlb(op_limts[f"Stage {i}"]["RR_min"])
+        m.fs.ro_train.stage[i].recovery_vol_phase[0, "Liq"].setub(op_limts[f"Stage {i}"]["RR_max"])
+        m.fs.ro_train.stage[i].feed.properties[0].flow_vol_phase["Liq"].setlb(
+            op_limts[f"Stage {i}"]["Qin_min"]
+        )
+        m.fs.ro_train.stage[i].feed.properties[0].flow_vol_phase["Liq"].setub(
+            op_limts[f"Stage {i}"]["Qin_max"]
+        )
+    # Initialize system
+    assert degrees_of_freedom(m) == 0
+    m.fs.feed.initialize()
+    propagate_state(m.fs.feed_to_train)
+    initialize_ro_train(m.fs.ro_train)
+    propagate_state(m.fs.train_to_product)
+    m.fs.product.initialize()
+    propagate_state(m.fs.train_to_brine)
+    m.fs.brine.initialize()
+
+
+# Build sweep parameters function
+def build_sweep_params(
+    m,
+    num_samples=10,
+    var_lims=None,
+    scenario=None,
+):
+    sweep_params = {}
+    if scenario == "default":
+        sweep_params["Recovery"] = LinearSample(
+            m.fs.ro_train.recovery_vol,
+            var_lims["RR_lb"],
+            var_lims["RR_ub"],
+            num_samples,
+        )
+
+        sweep_params["Feed Flow"] = LinearSample(
+            m.fs.ro_train.feed.properties_in[0].flow_vol_phase["Liq"],
+            var_lims["Qin_lb"],
+            var_lims["Qin_ub"],
+            num_samples,
+        )
+    else:
+        raise KeyError(
+            f"Scenario {scenario} not recognized. Please choose from: 'default'"
+        )
+    return sweep_params
+
+
+# Optimizaiton function
+def optimize(m, solver=None, check_termination=True):
+    # --solve---
+    return solve(m, solver=solver, check_termination=check_termination)
+
+
+def build_outputs(m):
+    outputs = {}
+    # RR and Flows
+    outputs["Stage1 RR"] = m.fs.ro_train.stage[1].recovery_vol_phase[0, "Liq"]
+    outputs["Stage2 RR"] = m.fs.ro_train.stage[2].recovery_vol_phase[0, "Liq"]
+    outputs["Stage3 RR"] = m.fs.ro_train.stage[3].recovery_vol_phase[0, "Liq"]
+    outputs["Stage1 Qin"] = m.fs.ro_train.stage[1].feed.properties[0].flow_vol_phase["Liq"] # This is an input
+    outputs["Stage2 Qin"] = m.fs.ro_train.stage[2].feed.properties[0].flow_vol_phase["Liq"]
+    outputs["Stage3 Qin"] = m.fs.ro_train.stage[3].feed.properties[0].flow_vol_phase["Liq"]
+    # Pressures
+    outputs["Stage1 Pin"] = m.fs.ro_train.stage[1].pump.unit.control_volume.properties_in[0].pressure
+    outputs["Stage2 Pin"] = m.fs.ro_train.stage[2].pump.unit.control_volume.properties_in[0].pressure
+    outputs["Stage3 Pin"] = m.fs.ro_train.stage[3].pump.unit.control_volume.properties_in[0].pressure
+    outputs["Stage1 Pout"] = m.fs.ro_train.stage[1].pump.unit.control_volume.properties_out[0].pressure
+    outputs["Stage2 Pout"] = m.fs.ro_train.stage[2].pump.unit.control_volume.properties_out[0].pressure
+    outputs["Stage3 Pout"] = m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].pressure
+    # Powers
+    outputs["Total Power"] = m.fs.ro_train.total_pump_power
+    outputs["Stage1 Power"] = m.fs.ro_train.stage[1].pump.unit.work_mechanical[0]
+    outputs["Stage2 Power"] = m.fs.ro_train.stage[2].pump.unit.work_mechanical[0]
+    outputs["Stage3 Power"] = m.fs.ro_train.stage[3].pump.unit.work_mechanical[0]
+    # Other
+    outputs["Stage1 Peak Flux"] = m.fs.ro_train.stage[1].unit.first_elem_prod
+    outputs["Stage2 Peak Flux"] = m.fs.ro_train.stage[2].unit.first_elem_prod
+    outputs["Stage3 Peak Flux"] = m.fs.ro_train.stage[3].unit.first_elem_prod
+    outputs["Stage1 Perm. Conc."] = m.fs.ro_train.stage[1].unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
+    outputs["Stage2 Perm. Conc."] = m.fs.ro_train.stage[2].unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
+    outputs["Stage3 Perm. Conc."] = m.fs.ro_train.stage[3].unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
+    
+    return outputs
+

From bd312fea90b13a76b1a7161b6041cdc98a1a28eb Mon Sep 17 00:00:00 2001
From: Jake Churchill <jake.churchill@nrel.gov>
Date: Thu, 7 May 2026 14:07:20 -0600
Subject: [PATCH 02/12] Working param sweep function. Issues with finding
 solutions remain

Co-authored-by: Copilot <copilot@github.com>
---
 ps_demo.h5                                    | Bin 0 -> 66448 bytes
 src/wrd/components/ro_stage.py                |  12 +-
 .../surrogate_models/energy_param_sweep.py    |  93 +++---
 src/wrd/surrogate_models/param_sweep_fxs.py   | 274 +++++++++++++++---
 4 files changed, 291 insertions(+), 88 deletions(-)
 create mode 100644 ps_demo.h5

diff --git a/ps_demo.h5 b/ps_demo.h5
new file mode 100644
index 0000000000000000000000000000000000000000..f5ed010cca86be4a17221c44626c974de4cccc7e
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literal 0
HcmV?d00001

diff --git a/src/wrd/components/ro_stage.py b/src/wrd/components/ro_stage.py
index 1a06b1b..d485fc2 100644
--- a/src/wrd/components/ro_stage.py
+++ b/src/wrd/components/ro_stage.py
@@ -159,10 +159,10 @@ def initialize_system(m):
 
 
 def initialize_ro_stage(blk):
-
     blk.feed.initialize()
     propagate_state(blk.feed_to_pump)
 
+    touch_flow_and_conc(blk.pump.unit)
     initialize_pump(blk.pump)
 
     propagate_state(blk.pump_to_ro)
@@ -294,12 +294,12 @@ def run_march_stages():
     # run_august_stages()
     # run_march_stages()
     m = main(
-        Qin=2800,  # gpm?
-        Cin=0.528,
+        Qin=396*.29/.25,  # gpm?
+        Cin=2.58,
         Tin=295,
-        Pin=35.4 * pyunits.psi,
-        stage_num=1,
-        file="wrd_inputs_2800_gpm.yaml",
+        Pin= 100 * pyunits.psi,
+        stage_num=3,
+        file="wrd_inputs_8_19_21.yaml",
     )
 
     m.fs.ro_stage.ro.unit.recovery_vol_phase[0, "Liq"].fix(0.5)
diff --git a/src/wrd/surrogate_models/energy_param_sweep.py b/src/wrd/surrogate_models/energy_param_sweep.py
index 124a01b..808e217 100644
--- a/src/wrd/surrogate_models/energy_param_sweep.py
+++ b/src/wrd/surrogate_models/energy_param_sweep.py
@@ -8,6 +8,7 @@
     build_flowsheet,
     build_sweep_params,
     build_outputs,
+    initialize_model,
 )
 
 
@@ -26,7 +27,7 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
         "build_outputs_kwargs": {},
         "optimize_function": optimize,  # Optimize flow sheet function
         "optimize_kwargs": {"solver": solver, "check_termination": False},
-        "initialize_function": None,
+        "initialize_function": initialize_model,
         "initialize_kwargs": {},
         "parallel_back_end": "MultiProcessing",  # ConcurrentFutures, MPI, Ray available
         "number_of_subprocesses": num_procs,
@@ -50,50 +51,50 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
     ps = ParameterSweep(**kwargs_dict)
     return ps, kwargs_dict
 
+if __name__ == "__main__":
+    num_samples = 2
+    num_procs = 2
+    op_limts = {
+        "Stage 1": {
+            "RR_min": 0.55,
+            "RR_max": 0.62,
+            "Qin_min": 420 / 3600,
+            "Qin_max": 635 / 3600,
+        },
+        "Stage 2": {
+            "RR_min": 0.55,
+            "RR_max": 0.62,
+            "Qin_min": 200 / 3600,
+            "Qin_max": 251 / 3600,
+        },
+        "Stage 3": {
+            "RR_min": 0.40,
+            "RR_max": 0.55,
+            "Qin_min": 75 / 3600,
+            "Qin_max": 126 / 3600,
+        },
+    }
+    var_lims = {
+        "RR_lb": 0.88,
+        "RR_ub": 0.93,
+        "Qin_lb": 420 / 3600,  # m3/s
+        "Qin_ub": 635 / 3600,  # m3/s
+    }
+    ps, kwargs_dict = create_parameter_sweep_object(
+        num_samples, num_procs, op_limts, var_lims
+    )
 
-num_samples = 4
-num_procs = 4
-op_limts = {
-    "Stage 1": {
-        "RR_min": 0.55,
-        "RR_max": 0.62,
-        "Qin_min": 420 / 3600,
-        "Qin_max": 635 / 3600,
-    },
-    "Stage 2": {
-        "RR_min": 0.55,
-        "RR_max": 0.62,
-        "Qin_min": 200 / 3600,
-        "Qin_max": 251 / 3600,
-    },
-    "Stage 3": {
-        "RR_min": 0.40,
-        "RR_max": 0.52,
-        "Qin_min": 75 / 3600,
-        "Qin_max": 126 / 3600,
-    },
-}
-var_lims = {
-    "RR_lb": 0.88,
-    "RR_ub": 0.93,
-    "Qin_lb": 420 / 3600,  # m3/s
-    "Qin_ub": 635 / 3600,  # m3/s
-}
-ps, kwargs_dict = create_parameter_sweep_object(
-    num_samples, num_procs, op_limts, var_lims
-)
-
-results_array, results_dict = ps.parameter_sweep(
-    kwargs_dict["build_model"],
-    kwargs_dict["build_sweep_params"],
-    build_outputs=kwargs_dict["build_outputs"],
-    build_outputs_kwargs=kwargs_dict["build_outputs_kwargs"],
-    num_samples=num_samples,
-    seed=None,
-    build_model_kwargs=kwargs_dict["build_model_kwargs"],
-    build_sweep_params_kwargs=kwargs_dict["build_sweep_params_kwargs"],
-)
+    results_array, results_dict = ps.parameter_sweep(
+        kwargs_dict["build_model"],
+        kwargs_dict["build_sweep_params"],
+        build_outputs=kwargs_dict["build_outputs"],
+        build_outputs_kwargs=kwargs_dict["build_outputs_kwargs"],
+        num_samples=num_samples,
+        seed=None,
+        build_model_kwargs=kwargs_dict["build_model_kwargs"],
+        build_sweep_params_kwargs=kwargs_dict["build_sweep_params_kwargs"],
+    )
 
-# Display and save results
-pprint(results_dict)
-pprint(results_array)
+    # Display and save results
+    pprint(results_dict)
+    pprint(results_array)
diff --git a/src/wrd/surrogate_models/param_sweep_fxs.py b/src/wrd/surrogate_models/param_sweep_fxs.py
index b2ec295..4aa11bf 100644
--- a/src/wrd/surrogate_models/param_sweep_fxs.py
+++ b/src/wrd/surrogate_models/param_sweep_fxs.py
@@ -1,7 +1,9 @@
 from watertap.core.solvers import get_solver
 from parameter_sweep import LinearSample, get_sweep_params_from_yaml
+from wrd.components.ro_stage import initialize_ro_stage
 from wrd.components.ro_train import *
-from pyomo.environ import value, solve, ConcreteModel, TransformationFactory, units as pyunits
+from models import HeadLoss
+from pyomo.environ import assert_optimal_termination, ConcreteModel, TransformationFactory, units as pyunits, Constraint, value, Objective, minimize
 from pyomo.network import Arc
 from srp.utils import touch_flow_and_conc
 from idaes.models.unit_models import (
@@ -13,9 +15,72 @@
 from idaes.core.util.scaling import calculate_scaling_factors
 from idaes.core.util.initialization import propagate_state
 from idaes.core.util.model_statistics import degrees_of_freedom
+from wrd.utilities import *
+from idaes.core.util.model_diagnostics import DiagnosticsToolbox
+
+# Debugging
+def print_arcs_to_port(model, port, port_name=""):
+    """Print all arcs connected to a given port (as source or destination)"""
+    from pyomo.network import Arc
+    
+    print(f"\n{'='*60}")
+    print(f"Arcs connected to {port_name or port}:")
+    print(f"{'='*60}")
+    
+    found = False
+    for component in model.component_data_objects(Arc, descend_into=True):
+        name = component.getname(fully_qualified=True)
+        if component.destination is port:
+            print(f"  ← {name}: {component.source} → {port_name or port}")
+            found = True
+        elif component.source is port:
+            print(f"  → {name}: {port_name or port} → {component.destination}")
+            found = True
+    
+    if not found:
+        print(f"  (No arcs found)")
+    print()
+
+
+def report_ports_with_multiple_arcs(model):
+    """Report ports with more than one incoming or outgoing Arc."""
+    from collections import defaultdict
+    from pyomo.network import Arc
+
+    incoming = defaultdict(list)
+    outgoing = defaultdict(list)
+
+    for arc in model.component_data_objects(Arc, descend_into=True):
+        arc_name = arc.getname(fully_qualified=True)
+        outgoing[id(arc.source)].append((arc.source, arc_name))
+        incoming[id(arc.destination)].append((arc.destination, arc_name))
+
+    found_issue = False
+    print(f"\n{'='*60}")
+    print("Port arc cardinality check")
+    print(f"{'='*60}")
+
+    for entries in incoming.values():
+        if len(entries) > 1:
+            port = entries[0][0]
+            arcs = [name for _, name in entries]
+            print(f"IN  > 1 : {port} <- {arcs}")
+            found_issue = True
+
+    for entries in outgoing.values():
+        if len(entries) > 1:
+            port = entries[0][0]
+            arcs = [name for _, name in entries]
+            print(f"OUT > 1 : {port} -> {arcs}")
+            found_issue = True
+
+    if not found_issue:
+        print("No ports with multiple incoming/outgoing arcs found.")
+    print()
+    return found_issue
 
 # Build flowsheet function
-def build_flowsheet(op_limts=None):
+def build_flowsheet(op_limts=None,scenario=None):
     m = ConcreteModel()
     m.fs = FlowsheetBlock(dynamic=False)
     m.fs.properties = NaClParameterBlock()
@@ -49,7 +114,30 @@ def build_flowsheet(op_limts=None):
         source=m.fs.ro_train.disposal.outlet,
         destination=m.fs.brine.inlet,
     )
+    
+    # Add the pressure drop between PRO and TSRO
+    m.fs.ro_train.tsro_header = HeadLoss(property_package=m.fs.properties)
+    touch_flow_and_conc(m.fs.ro_train.tsro_header)
+    m.fs.ro_train.tsro_header.control_volume.deltaP[0].fix(
+        get_config_value(m.fs.ro_train.config_data, "tsro_header_loss", "headers")
+    )
+    
+    # Undo connection between the second and third stage to add in the head loss unit
+    # build_ro_train already expands arcs internally, so remove the expanded block too.
+    m.fs.ro_train.del_component('stage_2_to_stage_3')
+    if hasattr(m.fs.ro_train, "stage_2_to_stage_3_expanded"):
+        m.fs.ro_train.del_component("stage_2_to_stage_3_expanded")
+    m.fs.ro_train.stage_2_to_tsro_header = Arc(
+        source=m.fs.ro_train.stage[2].disposal.outlet,
+        destination=m.fs.ro_train.tsro_header.inlet,
+    )
+    m.fs.ro_train.tsro_header_to_stage_3 = Arc(
+        source=m.fs.ro_train.tsro_header.outlet,
+        destination=m.fs.ro_train.stage[3].feed.inlet,
+    )
 
+    # report_ports_with_multiple_arcs(m)
+    
     TransformationFactory("network.expand_arcs").apply_to(m)
 
     m.fs.properties.set_default_scaling(
@@ -75,24 +163,16 @@ def build_flowsheet(op_limts=None):
     set_ro_train_op_conditions(m.fs.ro_train)
     # Set limits on each stage recovery and flowrate
     for i in m.fs.ro_train.stages:
-        m.fs.ro_train.stage[i].recovery_vol_phase[0, "Liq"].setlb(op_limts[f"Stage {i}"]["RR_min"])
-        m.fs.ro_train.stage[i].recovery_vol_phase[0, "Liq"].setub(op_limts[f"Stage {i}"]["RR_max"])
+        m.fs.ro_train.stage[i].ro.unit.recovery_vol_phase[0, "Liq"].setlb(op_limts[f"Stage {i}"]["RR_min"])
+        m.fs.ro_train.stage[i].ro.unit.recovery_vol_phase[0, "Liq"].setub(op_limts[f"Stage {i}"]["RR_max"])
         m.fs.ro_train.stage[i].feed.properties[0].flow_vol_phase["Liq"].setlb(
             op_limts[f"Stage {i}"]["Qin_min"]
         )
         m.fs.ro_train.stage[i].feed.properties[0].flow_vol_phase["Liq"].setub(
             op_limts[f"Stage {i}"]["Qin_max"]
         )
-    # Initialize system
-    assert degrees_of_freedom(m) == 0
-    m.fs.feed.initialize()
-    propagate_state(m.fs.feed_to_train)
-    initialize_ro_train(m.fs.ro_train)
-    propagate_state(m.fs.train_to_product)
-    m.fs.product.initialize()
-    propagate_state(m.fs.train_to_brine)
-    m.fs.brine.initialize()
-
+    print(degrees_of_freedom(m)) # Should be zero.
+    return m
 
 # Build sweep parameters function
 def build_sweep_params(
@@ -111,7 +191,7 @@ def build_sweep_params(
         )
 
         sweep_params["Feed Flow"] = LinearSample(
-            m.fs.ro_train.feed.properties_in[0].flow_vol_phase["Liq"],
+            m.fs.ro_train.feed.properties[0].flow_vol_phase["Liq"],
             var_lims["Qin_lb"],
             var_lims["Qin_ub"],
             num_samples,
@@ -123,40 +203,162 @@ def build_sweep_params(
     return sweep_params
 
 
+def initialize_model(m):
+    # Initialize system
+    # Changing the defaults for the third stage
+    m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].pressure.fix(149 * pyunits.psi)
+    assert degrees_of_freedom(m) == 0
+    m.fs.feed.initialize()
+    propagate_state(m.fs.feed_to_train)
+    # Initialize train, including the tsro header
+    blk = m.fs.ro_train
+    a = blk.find_component("feed_to_stage_1")
+    propagate_state(a)
+    initialize_ro_stage(blk.stage[1])
+    a = blk.find_component("stage_1_to_stage_2")
+    propagate_state(a)
+    initialize_ro_stage(blk.stage[2])
+    a = blk.find_component("stage_2_to_tsro_header")
+    propagate_state(a)
+    blk.tsro_header.initialize()
+    a = blk.find_component("tsro_header_to_stage_3")
+    propagate_state(a)   
+    initialize_ro_stage(blk.stage[3])
+    a = blk.find_component("stage_3_to_product")
+    propagate_state(a)
+    a = blk.find_component("stage_3_to_brine")
+    propagate_state(a)
+    a = blk.find_component("stage_3_to_product")
+    propagate_state(a)
+    blk.mixer.initialize()
+    propagate_state(blk.mixer_to_product)
+    blk.product.initialize()
+    print(blk.stage[3].ro.unit.recovery_vol_phase[0, "Liq"]())
+    print(blk.stage[3].feed.properties[0].flow_vol_phase["Liq"]())
+    print(blk.stage[2].pump.unit.control_volume.properties_out[0].pressure())
+    print(blk.stage[3].pump.unit.control_volume.properties_out[0].pressure())
+    
+    propagate_state(m.fs.train_to_product)
+    m.fs.product.initialize()
+    propagate_state(m.fs.train_to_brine)
+    m.fs.brine.initialize()   
+
+    assert degrees_of_freedom(m) == 0
+    # --solve---
+    solver = get_solver()
+    results = solver.solve(m, tee = True)
+    # assert_optimal_termination(results)
+    return results
+
 # Optimizaiton function
 def optimize(m, solver=None, check_termination=True):
+    print(f"Degrees of freedom start of optimize: {degrees_of_freedom(m)}")
+    # Fix the mass fraction and unfix the flow mass so that the flow volume can be fixed by param sweep
+    m.fs.feed.properties[0].mass_frac_phase_comp["Liq", "NaCl"].fix()
+    m.fs.feed.properties[0].flow_mass_phase_comp['Liq','H2O'].unfix()
+    m.fs.feed.properties[0].flow_mass_phase_comp['Liq','NaCl'].unfix()
+    # Pump outlet pressures unfixed
+    m.fs.ro_train.stage[1].pump.unit.control_volume.properties_out[0].pressure.unfix()
+    m.fs.ro_train.stage[2].pump.unit.control_volume.properties_out[0].pressure.unfix()
+    m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].pressure.unfix()
+    # But to make sure there are 0 DOF Assume S1 and S2 have same recovery and 
+    m.fs.ro_train.eq_recovery = Constraint(
+        expr= m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, "Liq"] == m.fs.ro_train.stage[2].ro.unit.recovery_vol_phase[0, "Liq"])   
+    
+    m.fs.obj = Objective(expr= m.fs.ro_train.total_pump_power, sense=minimize) # Dummy objective to trigger solve
+
+    print(f"Degrees of freedom right before solve: {degrees_of_freedom(m)}") # Should be 0
+    # assert degrees_of_freedom(m) == 0
     # --solve---
-    return solve(m, solver=solver, check_termination=check_termination)
+    solver = get_solver()
+    results = solver.solve(m, tee = True)
+    # assert_optimal_termination(results)
+    return results
 
 
 def build_outputs(m):
+    def _pump_unit(stage_blk):
+        # Some workflows expose the pump model directly, others nest it under stage.pump.unit
+        return stage_blk.pump.unit if hasattr(stage_blk.pump, "unit") else stage_blk.pump
+
     outputs = {}
     # RR and Flows
-    outputs["Stage1 RR"] = m.fs.ro_train.stage[1].recovery_vol_phase[0, "Liq"]
-    outputs["Stage2 RR"] = m.fs.ro_train.stage[2].recovery_vol_phase[0, "Liq"]
-    outputs["Stage3 RR"] = m.fs.ro_train.stage[3].recovery_vol_phase[0, "Liq"]
-    outputs["Stage1 Qin"] = m.fs.ro_train.stage[1].feed.properties[0].flow_vol_phase["Liq"] # This is an input
+    outputs["Stage1 RR"] = m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, "Liq"]
+    outputs["Stage2 RR"] = m.fs.ro_train.stage[2].ro.unit.recovery_vol_phase[0, "Liq"]
+    outputs["Stage3 RR"] = m.fs.ro_train.stage[3].ro.unit.recovery_vol_phase[0, "Liq"]
+    outputs["Stage1 Qin"] = m.fs.ro_train.stage[1].feed.properties[0].flow_vol_phase["Liq"]  # This is an input
     outputs["Stage2 Qin"] = m.fs.ro_train.stage[2].feed.properties[0].flow_vol_phase["Liq"]
     outputs["Stage3 Qin"] = m.fs.ro_train.stage[3].feed.properties[0].flow_vol_phase["Liq"]
+
+    pump1 = _pump_unit(m.fs.ro_train.stage[1])
+    pump2 = _pump_unit(m.fs.ro_train.stage[2])
+    pump3 = _pump_unit(m.fs.ro_train.stage[3])
+
     # Pressures
-    outputs["Stage1 Pin"] = m.fs.ro_train.stage[1].pump.unit.control_volume.properties_in[0].pressure
-    outputs["Stage2 Pin"] = m.fs.ro_train.stage[2].pump.unit.control_volume.properties_in[0].pressure
-    outputs["Stage3 Pin"] = m.fs.ro_train.stage[3].pump.unit.control_volume.properties_in[0].pressure
-    outputs["Stage1 Pout"] = m.fs.ro_train.stage[1].pump.unit.control_volume.properties_out[0].pressure
-    outputs["Stage2 Pout"] = m.fs.ro_train.stage[2].pump.unit.control_volume.properties_out[0].pressure
-    outputs["Stage3 Pout"] = m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].pressure
+    outputs["Stage1 Pin"] = pump1.control_volume.properties_in[0].pressure
+    outputs["Stage2 Pin"] = pump2.control_volume.properties_in[0].pressure
+    outputs["Stage3 Pin"] = pump3.control_volume.properties_in[0].pressure
+    outputs["Stage1 Pout"] = pump1.control_volume.properties_out[0].pressure
+    outputs["Stage2 Pout"] = pump2.control_volume.properties_out[0].pressure
+    outputs["Stage3 Pout"] = pump3.control_volume.properties_out[0].pressure
+
     # Powers
     outputs["Total Power"] = m.fs.ro_train.total_pump_power
-    outputs["Stage1 Power"] = m.fs.ro_train.stage[1].pump.unit.work_mechanical[0]
-    outputs["Stage2 Power"] = m.fs.ro_train.stage[2].pump.unit.work_mechanical[0]
-    outputs["Stage3 Power"] = m.fs.ro_train.stage[3].pump.unit.work_mechanical[0]
+    outputs["Stage1 Power"] = pump1.work_mechanical[0]
+    outputs["Stage2 Power"] = pump2.work_mechanical[0]
+    outputs["Stage3 Power"] = pump3.work_mechanical[0]
+
     # Other
-    outputs["Stage1 Peak Flux"] = m.fs.ro_train.stage[1].unit.first_elem_prod
-    outputs["Stage2 Peak Flux"] = m.fs.ro_train.stage[2].unit.first_elem_prod
-    outputs["Stage3 Peak Flux"] = m.fs.ro_train.stage[3].unit.first_elem_prod
-    outputs["Stage1 Perm. Conc."] = m.fs.ro_train.stage[1].unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
-    outputs["Stage2 Perm. Conc."] = m.fs.ro_train.stage[2].unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
-    outputs["Stage3 Perm. Conc."] = m.fs.ro_train.stage[3].unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
-    
+    outputs["Stage1 Peak Flux"] = m.fs.ro_train.stage[1].ro.unit.first_elem_prod
+    outputs["Stage2 Peak Flux"] = m.fs.ro_train.stage[2].ro.unit.first_elem_prod
+    outputs["Stage3 Peak Flux"] = m.fs.ro_train.stage[3].ro.unit.first_elem_prod
+    outputs["Stage1 Perm. Conc."] = m.fs.ro_train.stage[1].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
+    outputs["Stage2 Perm. Conc."] = m.fs.ro_train.stage[2].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
+    outputs["Stage3 Perm. Conc."] = m.fs.ro_train.stage[3].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
+
     return outputs
 
+if __name__ == "__main__":
+    op_limts = {
+        "Stage 1": {
+            "RR_min": 0.55,
+            "RR_max": 0.62,
+            "Qin_min": 420 / 3600,
+            "Qin_max": 635 / 3600,
+        },
+        "Stage 2": {
+            "RR_min": 0.55,
+            "RR_max": 0.62,
+            "Qin_min": 200 / 3600,
+            "Qin_max": 251 / 3600,
+        },
+        "Stage 3": {
+            "RR_min": 0.40,
+            "RR_max": 0.55,
+            "Qin_min": 75 / 3600,
+            "Qin_max": 126 / 3600,
+        },
+    }
+    m = build_flowsheet(op_limts=op_limts,scenario=None)
+    initialize_model(m)
+    # Dummy version of fixing value
+    print(f"Degrees of freedom before fixing: {degrees_of_freedom(m)}") # Should be 0
+    # Param Sweep will fix these two variables
+    m.fs.ro_train.recovery_vol.fix(0.88)
+    m.fs.feed.properties[0].flow_vol_phase["Liq"].fix(0.158)
+
+    print(f"Degrees of freedom after fixing: {degrees_of_freedom(m)}")
+    results = optimize(m)
+
+    print(m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].conc_mass_phase_comp["Liq", "NaCl"]())
+    print(value(pyunits.convert(m.fs.ro_train.stage[2].pump.unit.control_volume.properties_out[0].pressure, to_units=pyunits.psi)))
+    print(value(pyunits.convert(m.fs.ro_train.stage[3].pump.unit.control_volume.properties_in[0].pressure, to_units=pyunits.psi)))
+    print(value(pyunits.convert(m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].pressure, to_units=pyunits.psi)))
+
+    print(m.fs.ro_train.stage[3].feed.properties[0].flow_vol_phase["Liq"]())
+    print(m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, "Liq"]())
+    print(m.fs.ro_train.stage[2].ro.unit.recovery_vol_phase[0, "Liq"]())
+    print(m.fs.ro_train.stage[3].ro.unit.recovery_vol_phase[0, "Liq"]())
+    
+    dt = DiagnosticsToolbox(m)
+    assert_optimal_termination(results)

From 11f769603b0e2f7fc9a39fa8b713ec6a4e355acf Mon Sep 17 00:00:00 2001
From: Jake Churchill <jake.churchill@nrel.gov>
Date: Thu, 7 May 2026 23:40:32 -0600
Subject: [PATCH 03/12] Initial results from working version of param sweep.
 Unclear if recovery limits are justified.

Co-authored-by: Copilot <copilot@github.com>
---
 ps_demo.h5                                    | Bin 66448 -> 81888 bytes
 src/wrd/surrogate_models/param_sweep_fxs.py   |  74 +++++----
 .../surrogate_models/param_sweep_fxs_toy.py   | 151 ++++++++++++++++++
 sweep_results.csv                             |  37 +++++
 sweep_results_limited_range.csv               |  26 +++
 5 files changed, 255 insertions(+), 33 deletions(-)
 create mode 100644 src/wrd/surrogate_models/param_sweep_fxs_toy.py
 create mode 100644 sweep_results.csv
 create mode 100644 sweep_results_limited_range.csv

diff --git a/ps_demo.h5 b/ps_demo.h5
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diff --git a/src/wrd/surrogate_models/param_sweep_fxs.py b/src/wrd/surrogate_models/param_sweep_fxs.py
index 4aa11bf..70f4067 100644
--- a/src/wrd/surrogate_models/param_sweep_fxs.py
+++ b/src/wrd/surrogate_models/param_sweep_fxs.py
@@ -122,11 +122,12 @@ def build_flowsheet(op_limts=None,scenario=None):
         get_config_value(m.fs.ro_train.config_data, "tsro_header_loss", "headers")
     )
     
-    # Undo connection between the second and third stage to add in the head loss unit
-    # build_ro_train already expands arcs internally, so remove the expanded block too.
-    m.fs.ro_train.del_component('stage_2_to_stage_3')
+    # Undo connection between the second and third stage to add in the head loss unit.
+    # Deactivate (do not delete) to keep port arc bookkeeping consistent.
+    if hasattr(m.fs.ro_train, "stage_2_to_stage_3"):
+        m.fs.ro_train.stage_2_to_stage_3.deactivate()
     if hasattr(m.fs.ro_train, "stage_2_to_stage_3_expanded"):
-        m.fs.ro_train.del_component("stage_2_to_stage_3_expanded")
+        m.fs.ro_train.stage_2_to_stage_3_expanded.deactivate()
     m.fs.ro_train.stage_2_to_tsro_header = Arc(
         source=m.fs.ro_train.stage[2].disposal.outlet,
         destination=m.fs.ro_train.tsro_header.inlet,
@@ -137,7 +138,7 @@ def build_flowsheet(op_limts=None,scenario=None):
     )
 
     # report_ports_with_multiple_arcs(m)
-    
+
     TransformationFactory("network.expand_arcs").apply_to(m)
 
     m.fs.properties.set_default_scaling(
@@ -153,7 +154,7 @@ def build_flowsheet(op_limts=None,scenario=None):
     # Set feed and operational conditions
     m.fs.feed.properties.calculate_state(
     var_args={
-        ("flow_vol_phase", ("Liq")): 2650 * pyunits.gallons / pyunits.minute,
+        ("flow_vol_phase", ("Liq")): 2500 * pyunits.gallons / pyunits.minute,
         ("conc_mass_phase_comp", ("Liq", "NaCl")): 0.5 * pyunits.g / pyunits.L,
         ("pressure", None): 35.4 * pyunits.psi,
         ("temperature", None): 298.15 * pyunits.K,
@@ -191,7 +192,7 @@ def build_sweep_params(
         )
 
         sweep_params["Feed Flow"] = LinearSample(
-            m.fs.ro_train.feed.properties[0].flow_vol_phase["Liq"],
+            m.fs.feed.properties[0].flow_vol_phase["Liq"],
             var_lims["Qin_lb"],
             var_lims["Qin_ub"],
             num_samples,
@@ -204,9 +205,13 @@ def build_sweep_params(
 
 
 def initialize_model(m):
+    # Expanding arcs here instead
+
     # Initialize system
-    # Changing the defaults for the third stage
-    m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].pressure.fix(149 * pyunits.psi)
+    # Changing the default pressure to have a more medium recovery
+    m.fs.ro_train.stage[1].pump.unit.control_volume.properties_out[0].pressure.fix(134 * pyunits.psi)
+    m.fs.ro_train.stage[2].pump.unit.control_volume.properties_out[0].pressure.fix(150 * pyunits.psi)
+    m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].pressure.fix(135 * pyunits.psi) # This value could be increased if another water perm value is used for S3
     assert degrees_of_freedom(m) == 0
     m.fs.feed.initialize()
     propagate_state(m.fs.feed_to_train)
@@ -246,8 +251,8 @@ def initialize_model(m):
     assert degrees_of_freedom(m) == 0
     # --solve---
     solver = get_solver()
-    results = solver.solve(m, tee = True)
-    # assert_optimal_termination(results)
+    results = solver.solve(m)
+    assert_optimal_termination(results)
     return results
 
 # Optimizaiton function
@@ -272,7 +277,10 @@ def optimize(m, solver=None, check_termination=True):
     # --solve---
     solver = get_solver()
     results = solver.solve(m, tee = True)
-    # assert_optimal_termination(results)
+    if assert_optimal_termination(results):
+        print("-----FAILED TO OPTIMALLY SOLVE-----")
+        print(f"RR = {m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, 'Liq']()}%")
+        print(f"Qin = {m.fs.feed.properties[0].flow_vol_phase['Liq']()}")
     return results
 
 
@@ -286,35 +294,35 @@ def _pump_unit(stage_blk):
     outputs["Stage1 RR"] = m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, "Liq"]
     outputs["Stage2 RR"] = m.fs.ro_train.stage[2].ro.unit.recovery_vol_phase[0, "Liq"]
     outputs["Stage3 RR"] = m.fs.ro_train.stage[3].ro.unit.recovery_vol_phase[0, "Liq"]
-    outputs["Stage1 Qin"] = m.fs.ro_train.stage[1].feed.properties[0].flow_vol_phase["Liq"]  # This is an input
-    outputs["Stage2 Qin"] = m.fs.ro_train.stage[2].feed.properties[0].flow_vol_phase["Liq"]
-    outputs["Stage3 Qin"] = m.fs.ro_train.stage[3].feed.properties[0].flow_vol_phase["Liq"]
+    outputs["Stage1 Qin (m3/s)"] = m.fs.ro_train.stage[1].feed.properties[0].flow_vol_phase["Liq"]
+    outputs["Stage2 Qin (m3/s)"] = m.fs.ro_train.stage[2].feed.properties[0].flow_vol_phase["Liq"]
+    outputs["Stage3 Qin (m3/s)"] = m.fs.ro_train.stage[3].feed.properties[0].flow_vol_phase["Liq"]
 
     pump1 = _pump_unit(m.fs.ro_train.stage[1])
     pump2 = _pump_unit(m.fs.ro_train.stage[2])
     pump3 = _pump_unit(m.fs.ro_train.stage[3])
 
     # Pressures
-    outputs["Stage1 Pin"] = pump1.control_volume.properties_in[0].pressure
-    outputs["Stage2 Pin"] = pump2.control_volume.properties_in[0].pressure
-    outputs["Stage3 Pin"] = pump3.control_volume.properties_in[0].pressure
-    outputs["Stage1 Pout"] = pump1.control_volume.properties_out[0].pressure
-    outputs["Stage2 Pout"] = pump2.control_volume.properties_out[0].pressure
-    outputs["Stage3 Pout"] = pump3.control_volume.properties_out[0].pressure
+    outputs["Stage1 Pin (Pa)"] = pump1.control_volume.properties_in[0].pressure
+    outputs["Stage2 Pin (Pa)"] = pump2.control_volume.properties_in[0].pressure
+    outputs["Stage3 Pin (Pa)"] = pump3.control_volume.properties_in[0].pressure
+    outputs["Stage1 Pout (Pa)"] = pump1.control_volume.properties_out[0].pressure
+    outputs["Stage2 Pout (Pa)"] = pump2.control_volume.properties_out[0].pressure
+    outputs["Stage3 Pout (Pa)"] = pump3.control_volume.properties_out[0].pressure
 
     # Powers
-    outputs["Total Power"] = m.fs.ro_train.total_pump_power
-    outputs["Stage1 Power"] = pump1.work_mechanical[0]
-    outputs["Stage2 Power"] = pump2.work_mechanical[0]
-    outputs["Stage3 Power"] = pump3.work_mechanical[0]
+    outputs["Total Power (W)"] = m.fs.ro_train.total_pump_power
+    outputs["Stage1 Power (W)"] = pump1.work_mechanical[0]
+    outputs["Stage2 Power (W)"] = pump2.work_mechanical[0]
+    outputs["Stage3 Power (W)"] = pump3.work_mechanical[0]
 
     # Other
-    outputs["Stage1 Peak Flux"] = m.fs.ro_train.stage[1].ro.unit.first_elem_prod
-    outputs["Stage2 Peak Flux"] = m.fs.ro_train.stage[2].ro.unit.first_elem_prod
-    outputs["Stage3 Peak Flux"] = m.fs.ro_train.stage[3].ro.unit.first_elem_prod
-    outputs["Stage1 Perm. Conc."] = m.fs.ro_train.stage[1].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
-    outputs["Stage2 Perm. Conc."] = m.fs.ro_train.stage[2].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
-    outputs["Stage3 Perm. Conc."] = m.fs.ro_train.stage[3].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
+    outputs["Stage1 First Elem. Prod. (m3/s)"] = m.fs.ro_train.stage[1].ro.unit.first_elem_prod
+    outputs["Stage2 First Elem. Prod. (m3/s)"] = m.fs.ro_train.stage[2].ro.unit.first_elem_prod
+    outputs["Stage3 First Elem. Prod. (m3/s)"] = m.fs.ro_train.stage[3].ro.unit.first_elem_prod
+    outputs["Stage1 Perm. Conc. (kg/m3)"] = m.fs.ro_train.stage[1].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
+    outputs["Stage2 Perm. Conc. (kg/m3)"] = m.fs.ro_train.stage[2].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
+    outputs["Stage3 Perm. Conc. (kg/m3)"] = m.fs.ro_train.stage[3].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
 
     return outputs
 
@@ -323,7 +331,7 @@ def _pump_unit(stage_blk):
         "Stage 1": {
             "RR_min": 0.55,
             "RR_max": 0.62,
-            "Qin_min": 420 / 3600,
+            "Qin_min": 420 / 3600, #m/hr
             "Qin_max": 635 / 3600,
         },
         "Stage 2": {
@@ -344,7 +352,7 @@ def _pump_unit(stage_blk):
     # Dummy version of fixing value
     print(f"Degrees of freedom before fixing: {degrees_of_freedom(m)}") # Should be 0
     # Param Sweep will fix these two variables
-    m.fs.ro_train.recovery_vol.fix(0.88)
+    m.fs.ro_train.recovery_vol.fix(0.9)
     m.fs.feed.properties[0].flow_vol_phase["Liq"].fix(0.158)
 
     print(f"Degrees of freedom after fixing: {degrees_of_freedom(m)}")
diff --git a/src/wrd/surrogate_models/param_sweep_fxs_toy.py b/src/wrd/surrogate_models/param_sweep_fxs_toy.py
new file mode 100644
index 0000000..d442e67
--- /dev/null
+++ b/src/wrd/surrogate_models/param_sweep_fxs_toy.py
@@ -0,0 +1,151 @@
+from watertap.core.solvers import get_solver
+from parameter_sweep import LinearSample, get_sweep_params_from_yaml
+from wrd.components.detailed_pump import *
+from models import HeadLoss
+from pyomo.environ import assert_optimal_termination, ConcreteModel, TransformationFactory, units as pyunits, Constraint, value, Objective, minimize
+from pyomo.network import Arc
+from srp.utils import touch_flow_and_conc
+from idaes.models.unit_models import (
+    Feed,
+    Product,
+)
+from idaes.core import FlowsheetBlock
+from watertap.property_models.NaCl_T_dep_prop_pack import NaClParameterBlock
+from idaes.core.util.scaling import calculate_scaling_factors
+from idaes.core.util.initialization import propagate_state
+from idaes.core.util.model_statistics import degrees_of_freedom
+from wrd.utilities import *
+from idaes.core.util.model_diagnostics import DiagnosticsToolbox
+
+
+# Build flowsheet function
+def build_flowsheet(op_limts=None,scenario=None):
+    m = ConcreteModel()
+    m.fs = FlowsheetBlock(dynamic=False)
+    m.fs.properties = NaClParameterBlock()
+
+    m.fs.feed = Feed(property_package=m.fs.properties)
+    touch_flow_and_conc(m.fs.feed)
+    m.fs.pump = FlowsheetBlock(dynamic=False)
+    build_pump(
+        m.fs.pump,
+        stage_num=1,
+        file="wrd_inputs_8_19_21.yaml",
+        prop_package=m.fs.properties,
+        uf=False,
+    )
+
+    m.fs.product = Product(property_package=m.fs.properties)
+    touch_flow_and_conc(m.fs.product)
+
+    # Arcs to connect the unit models
+    m.fs.feed_to_pump = Arc(
+        source=m.fs.feed.outlet,
+        destination=m.fs.pump.feed.inlet,
+    )
+    m.fs.pump_to_product = Arc(
+        source=m.fs.pump.product.outlet,
+        destination=m.fs.product.inlet,
+    )
+
+    TransformationFactory("network.expand_arcs").apply_to(m)
+
+    m.fs.properties.set_default_scaling(
+        "flow_mass_phase_comp", 1e-1, index=("Liq", "H2O")
+    )
+    m.fs.properties.set_default_scaling(
+        "flow_mass_phase_comp", 1e2, index=("Liq", "NaCl")
+    )
+
+    add_pump_scaling(m.fs.pump)    
+    calculate_scaling_factors(m)
+
+    # Set feed and operational conditions
+    m.fs.feed.properties.calculate_state(
+    var_args={
+        ("flow_vol_phase", ("Liq")): 2500 * pyunits.gallons / pyunits.minute,
+        ("conc_mass_phase_comp", ("Liq", "NaCl")): 0.5 * pyunits.g / pyunits.L,
+        ("pressure", None): 35.4 * pyunits.psi,
+        ("temperature", None): 298.15 * pyunits.K,
+    },
+    hold_state=True,
+    )
+
+    set_pump_op_conditions(m.fs.pump)
+    print(degrees_of_freedom(m)) # Should be zero
+
+    return m
+
+# Build sweep parameters function
+def build_sweep_params(
+    m,
+    num_samples=10,
+    var_lims=None,
+    scenario=None,
+):
+    sweep_params = {}
+    if scenario == "default":
+        sweep_params["Feed Flow"] = LinearSample(
+            m.fs.feed.properties[0].flow_vol_phase["Liq"],
+            0,
+            .1,
+            num_samples,
+        )
+    else:
+        raise KeyError(
+            f"Scenario {scenario} not recognized. Please choose from: 'default'"
+        )
+    return sweep_params
+
+
+def initialize_model(m):
+    # Initialize system
+    m.fs.feed.initialize()
+    propagate_state(m.fs.feed_to_pump)
+    initialize_pump(m.fs.pump)
+    propagate_state(m.fs.pump_to_product)
+    m.fs.product.initialize()
+
+    assert degrees_of_freedom(m) == 0
+    # --solve---
+    solver = get_solver()
+    results = solver.solve(m)
+    assert_optimal_termination(results)
+    return results
+
+# Optimizaiton function
+def optimize(m, solver=None, check_termination=True):
+    print(f"Degrees of freedom start of optimize: {degrees_of_freedom(m)}")
+    # Fix the mass fraction and unfix the flow mass so that the flow volume can be fixed by param sweep
+    m.fs.feed.properties[0].mass_frac_phase_comp["Liq", "NaCl"].fix()
+    m.fs.feed.properties[0].flow_mass_phase_comp['Liq','H2O'].unfix()
+    m.fs.feed.properties[0].flow_mass_phase_comp['Liq','NaCl'].unfix()
+    
+    print(f"Degrees of freedom right before solve: {degrees_of_freedom(m)}") # Should be 0
+    assert degrees_of_freedom(m) == 0
+    # --solve---
+    solver = get_solver()
+    results = solver.solve(m, tee = True)
+    # assert_optimal_termination(results)
+    return results
+
+
+def build_outputs(m):
+    outputs = {}
+    outputs["Stage1 Power"] = m.fs.pump.unit.work_mechanical[0]
+    return outputs
+
+if __name__ == "__main__":
+    m = build_flowsheet(scenario=None)
+    initialize_model(m)
+    # Dummy version of fixing value
+    print(f"Degrees of freedom before fixing: {degrees_of_freedom(m)}") # Should be 0
+    # Param Sweep will fix these two variables
+    m.fs.feed.properties[0].flow_vol_phase["Liq"].fix(0.158)
+
+    print(f"Degrees of freedom after fixing: {degrees_of_freedom(m)}")
+    results = optimize(m)
+    
+    dt = DiagnosticsToolbox(m)
+    assert_optimal_termination(results)
+    print(m.fs.pump.unit.work_mechanical[0]())
\ No newline at end of file
diff --git a/sweep_results.csv b/sweep_results.csv
new file mode 100644
index 0000000..969f7e4
--- /dev/null
+++ b/sweep_results.csv
@@ -0,0 +1,37 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
+8.800000e-01,1.450000e-01,5.527861e-01,5.527861e-01,4.000000e-01,1.450000e-01,6.484603e-02,2.900008e-02,2.440744e+05,7.531606e+05,6.270341e+05,8.269345e+05,9.572929e+05,7.679861e+05,1.584304e+05,1.326000e+05,1.765517e+04,8.175240e+03,1.732421e-04,1.867937e-04,1.325181e-04,1.409002e-02,1.837273e-02,1.425684e-01
+8.800000e-01,1.512778e-01,5.527861e-01,5.527861e-01,4.000000e-01,1.512778e-01,6.765354e-02,3.025564e-02,2.440744e+05,7.786630e+05,6.557958e+05,8.524369e+05,9.860547e+05,7.842124e+05,1.702219e+05,1.436887e+05,1.876261e+04,7.770653e+03,1.801449e-04,1.942182e-04,1.374167e-04,1.354128e-02,1.766104e-02,1.372206e-01
+8.800000e-01,1.575556e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.800000e-01,1.638333e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.800000e-01,1.701111e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.800000e-01,1.763889e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.900000e-01,1.450000e-01,5.718252e-01,5.718252e-01,4.000000e-01,1.450000e-01,6.208536e-02,2.658342e-02,2.440744e+05,7.749622e+05,6.306585e+05,8.487361e+05,9.609174e+05,7.599625e+05,1.605020e+05,1.382262e+05,1.540111e+04,6.874687e+03,1.791035e-04,1.865029e-04,1.244125e-04,1.397529e-02,1.984656e-02,1.685282e-01
+8.900000e-01,1.512778e-01,5.718252e-01,5.718252e-01,4.000000e-01,1.512778e-01,6.477335e-02,2.773435e-02,2.440744e+05,8.013450e+05,6.591734e+05,8.751189e+05,9.894323e+05,7.750503e+05,1.724064e+05,1.496785e+05,1.630044e+04,6.427541e+03,1.862448e-04,1.938599e-04,1.289342e-04,1.343172e-02,1.907737e-02,1.622289e-01
+8.900000e-01,1.575556e-01,5.718252e-01,5.718252e-01,4.000000e-01,1.575556e-01,6.746133e-02,2.888528e-02,2.440744e+05,8.277234e+05,6.876768e+05,9.014973e+05,1.017936e+06,7.900689e+05,1.848128e+05,1.616543e+05,1.724329e+04,5.915250e+03,1.933856e-04,2.012160e-04,1.334455e-04,1.293060e-02,1.836807e-02,1.563923e-01
+8.900000e-01,1.638333e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.900000e-01,1.701111e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.900000e-01,1.763889e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.000000e-01,1.450000e-01,5.917513e-01,5.917513e-01,4.000000e-01,1.450000e-01,5.919608e-02,2.416677e-02,2.440744e+05,7.978947e+05,6.336828e+05,8.716686e+05,9.639417e+05,7.559333e+05,1.632732e+05,1.442445e+05,1.311987e+04,5.908797e+03,1.852688e-04,1.858729e-04,1.164548e-04,1.388706e-02,2.165930e-02,2.023717e-01
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+9.000000e-01,1.575556e-01,5.917513e-01,5.917513e-01,4.000000e-01,1.575556e-01,6.432187e-02,2.625937e-02,2.440744e+05,8.524999e+05,6.900057e+05,9.262738e+05,1.020265e+06,7.838285e+05,1.879193e+05,1.684575e+05,1.453441e+04,4.927453e+03,2.000507e-04,2.003982e-04,1.247486e-04,1.285045e-02,2.004411e-02,1.878657e-01
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diff --git a/sweep_results_limited_range.csv b/sweep_results_limited_range.csv
new file mode 100644
index 0000000..7235fbb
--- /dev/null
+++ b/sweep_results_limited_range.csv
@@ -0,0 +1,26 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
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+9.000000e-01,1.739583e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
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From 0d32366990e11c0b6c592fe80b296a2107cfee5d Mon Sep 17 00:00:00 2001
From: Jake Churchill <jake.churchill@nrel.gov>
Date: Thu, 7 May 2026 23:59:20 -0600
Subject: [PATCH 04/12] Added uf pump energy sweep

---
 ps_demo.h5                                    | Bin 81888 -> 15480 bytes
 .../energy_param_sweep_pump.py                |  78 ++++++++++++++++++
 ...eep_fxs_toy.py => param_sweep_fxs_pump.py} |  20 +++--
 up_pump_sweep.csv                             |  11 +++
 4 files changed, 104 insertions(+), 5 deletions(-)
 create mode 100644 src/wrd/surrogate_models/energy_param_sweep_pump.py
 rename src/wrd/surrogate_models/{param_sweep_fxs_toy.py => param_sweep_fxs_pump.py} (87%)
 create mode 100644 up_pump_sweep.csv

diff --git a/ps_demo.h5 b/ps_demo.h5
index 110f80c62ab6af434ee6d07667cbf83b1faf7c9a..ac8d89da4ce026fe7c3486dcd82ca235c36a25cf 100644
GIT binary patch
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diff --git a/src/wrd/surrogate_models/energy_param_sweep_pump.py b/src/wrd/surrogate_models/energy_param_sweep_pump.py
new file mode 100644
index 0000000..3a13294
--- /dev/null
+++ b/src/wrd/surrogate_models/energy_param_sweep_pump.py
@@ -0,0 +1,78 @@
+# Imports
+from pprint import pprint
+from IPython import get_ipython
+from watertap.core.solvers import get_solver
+from parameter_sweep import ParameterSweep
+from wrd.surrogate_models.param_sweep_fxs_pump import (
+    optimize,
+    build_flowsheet,
+    build_sweep_params,
+    build_outputs,
+    initialize_model,
+)
+
+
+def create_parameter_sweep_object(num_samples, num_procs, var_lims):
+    solver = get_solver()
+    kwargs_dict = {
+        # Arguments being used in the demo
+        "h5_results_file_name": "ps_demo.h5",  # Resulting output file name
+        "build_model": build_flowsheet,  # Function that builds the flowsheet model
+        "build_model_kwargs": dict(scenario=None),
+        "build_sweep_params": build_sweep_params,  # Function for building sweep param dictionary
+        "build_sweep_params_kwargs": dict(
+            num_samples=num_samples, scenario="default", var_lims=var_lims
+        ),
+        "build_outputs": build_outputs,  # Function the builds outputs to save
+        "build_outputs_kwargs": {},
+        "optimize_function": optimize,  # Optimize flow sheet function
+        "optimize_kwargs": {"solver": solver, "check_termination": False},
+        "initialize_function": initialize_model,
+        "initialize_kwargs": {},
+        "parallel_back_end": "MultiProcessing",  # ConcurrentFutures, MPI, Ray available
+        "number_of_subprocesses": num_procs,
+        # Additional useful keyword arguments
+        "csv_results_file_name": "up_pump_sweep.csv",  # For storing results as CSV
+        "h5_parent_group_name": None,  # Useful for loop tool
+        "update_sweep_params_before_init": False,
+        "initialize_before_sweep": False,
+        "reinitialize_function": None,
+        "reinitialize_kwargs": {},
+        "reinitialize_before_sweep": False,
+        "probe_function": None,
+        # Post-processing arguments
+        "interpolate_nan_outputs": False,
+        # Advanced Users
+        "debugging_data_dir": None,
+        "log_model_states": False,
+        "custom_do_param_sweep": None,  # Advanced users only!
+        "custom_do_param_sweep_kwargs": {},
+    }
+    ps = ParameterSweep(**kwargs_dict)
+    return ps, kwargs_dict
+
+if __name__ == "__main__":
+    num_samples = 10
+    num_procs = 1
+    var_lims = {
+        "Feed Flow": {
+            "Qin_min": 520 / 3600,  # m3/s
+            "Qin_max": 910 / 3600,  # m3/s
+        }
+    }
+    ps, kwargs_dict = create_parameter_sweep_object(num_samples, num_procs, var_lims)
+
+    results_array, results_dict = ps.parameter_sweep(
+        kwargs_dict["build_model"],
+        kwargs_dict["build_sweep_params"],
+        build_outputs=kwargs_dict["build_outputs"],
+        build_outputs_kwargs=kwargs_dict["build_outputs_kwargs"],
+        num_samples=num_samples,
+        seed=None,
+        build_model_kwargs=kwargs_dict["build_model_kwargs"],
+        build_sweep_params_kwargs=kwargs_dict["build_sweep_params_kwargs"],
+    )
+
+    # Display and save results
+    pprint(results_dict)
+    pprint(results_array)
diff --git a/src/wrd/surrogate_models/param_sweep_fxs_toy.py b/src/wrd/surrogate_models/param_sweep_fxs_pump.py
similarity index 87%
rename from src/wrd/surrogate_models/param_sweep_fxs_toy.py
rename to src/wrd/surrogate_models/param_sweep_fxs_pump.py
index d442e67..5507478 100644
--- a/src/wrd/surrogate_models/param_sweep_fxs_toy.py
+++ b/src/wrd/surrogate_models/param_sweep_fxs_pump.py
@@ -32,7 +32,7 @@ def build_flowsheet(op_limts=None,scenario=None):
         stage_num=1,
         file="wrd_inputs_8_19_21.yaml",
         prop_package=m.fs.properties,
-        uf=False,
+        uf=True,
     )
 
     m.fs.product = Product(property_package=m.fs.properties)
@@ -61,11 +61,14 @@ def build_flowsheet(op_limts=None,scenario=None):
     calculate_scaling_factors(m)
 
     # Set feed and operational conditions
+    m.fs.feed.properties[0].pressure.setlb(0)
+    m.fs.pump.unit.control_volume.properties_in[0].pressure.setlb(0)
+
     m.fs.feed.properties.calculate_state(
     var_args={
-        ("flow_vol_phase", ("Liq")): 2500 * pyunits.gallons / pyunits.minute,
+        ("flow_vol_phase", ("Liq")): 3000 * pyunits.gallons / pyunits.minute,
         ("conc_mass_phase_comp", ("Liq", "NaCl")): 0.5 * pyunits.g / pyunits.L,
-        ("pressure", None): 35.4 * pyunits.psi,
+        ("pressure", None): 0.1 * pyunits.psi,
         ("temperature", None): 298.15 * pyunits.K,
     },
     hold_state=True,
@@ -87,8 +90,8 @@ def build_sweep_params(
     if scenario == "default":
         sweep_params["Feed Flow"] = LinearSample(
             m.fs.feed.properties[0].flow_vol_phase["Liq"],
-            0,
-            .1,
+            var_lims["Feed Flow"]["Qin_min"],
+            var_lims["Feed Flow"]["Qin_max"],
             num_samples,
         )
     else:
@@ -99,6 +102,13 @@ def build_sweep_params(
 
 
 def initialize_model(m):
+    if m.fs.pump.uf:
+        # Allow negative suction pressure for UF configuration
+        m.fs.feed.properties[0].pressure.setlb(0)
+        m.fs.pump.feed.properties[0].pressure.setlb(0)
+
+        # Change the bounds for the pump inlet pressure
+        m.fs.pump.unit.control_volume.properties_in[0].pressure.setlb(0)
     # Initialize system
     m.fs.feed.initialize()
     propagate_state(m.fs.feed_to_pump)
diff --git a/up_pump_sweep.csv b/up_pump_sweep.csv
new file mode 100644
index 0000000..47a366c
--- /dev/null
+++ b/up_pump_sweep.csv
@@ -0,0 +1,11 @@
+# Feed Flow,Stage1 Power
+1.444444e-01,8.313173e+04
+1.564815e-01,8.866472e+04
+1.685185e-01,9.470104e+04
+1.805556e-01,1.012567e+05
+1.925926e-01,1.083405e+05
+2.046296e-01,1.159551e+05
+2.166667e-01,1.240976e+05
+2.287037e-01,1.327609e+05
+2.407407e-01,1.419340e+05
+2.527778e-01,1.516030e+05

From 212c452f38bdf23d9f91323429fc9b3b17b82b42 Mon Sep 17 00:00:00 2001
From: Jake Churchill <jake.churchill@nrel.gov>
Date: Fri, 8 May 2026 00:00:04 -0600
Subject: [PATCH 05/12] Now ro_sweep actual works

---
 sweep_results.csv => ro_sweep_results.csv      |  0
 src/wrd/surrogate_models/energy_param_sweep.py | 18 +++++++++++++-----
 2 files changed, 13 insertions(+), 5 deletions(-)
 rename sweep_results.csv => ro_sweep_results.csv (100%)

diff --git a/sweep_results.csv b/ro_sweep_results.csv
similarity index 100%
rename from sweep_results.csv
rename to ro_sweep_results.csv
diff --git a/src/wrd/surrogate_models/energy_param_sweep.py b/src/wrd/surrogate_models/energy_param_sweep.py
index 808e217..0902a79 100644
--- a/src/wrd/surrogate_models/energy_param_sweep.py
+++ b/src/wrd/surrogate_models/energy_param_sweep.py
@@ -32,10 +32,10 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
         "parallel_back_end": "MultiProcessing",  # ConcurrentFutures, MPI, Ray available
         "number_of_subprocesses": num_procs,
         # Additional useful keyword arguments
-        "csv_results_file_name": None,  # For storing results as CSV
+        "csv_results_file_name": "ro_sweep_results.csv",  # For storing results as CSV
         "h5_parent_group_name": None,  # Useful for loop tool
         "update_sweep_params_before_init": False,
-        "initialize_before_sweep": False,
+        "initialize_before_sweep": False, #!!!!!!!
         "reinitialize_function": None,
         "reinitialize_kwargs": {},
         "reinitialize_before_sweep": False,
@@ -52,8 +52,8 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
     return ps, kwargs_dict
 
 if __name__ == "__main__":
-    num_samples = 2
-    num_procs = 2
+    num_samples = 6
+    num_procs = 6
     op_limts = {
         "Stage 1": {
             "RR_min": 0.55,
@@ -74,12 +74,20 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
             "Qin_max": 126 / 3600,
         },
     }
+
     var_lims = {
         "RR_lb": 0.88,
         "RR_ub": 0.93,
-        "Qin_lb": 420 / 3600,  # m3/s
+        "Qin_lb": 522 / 3600,  # m3/s
         "Qin_ub": 635 / 3600,  # m3/s
     }
+    # Tighter limits on flowrate and recovery
+    # var_lims = {
+    #     "RR_lb": 0.9,
+    #     "RR_ub": 0.92,
+    #     "Qin_lb": 602 / 3600,  # m3/s
+    #     "Qin_ub": 635 / 3600,  # m3/s
+    # }
     ps, kwargs_dict = create_parameter_sweep_object(
         num_samples, num_procs, op_limts, var_lims
     )

From 42f2960eafe3da999d4a9c1ef07cd73943a7f01a Mon Sep 17 00:00:00 2001
From: Jake Churchill <jake.churchill@nrel.gov>
Date: Fri, 8 May 2026 11:49:52 -0600
Subject: [PATCH 06/12] Results with different operational limits. Min brine
 flow instead of recovery limits. Extra DOF on solve by removing RR_S1=RR_S2
 constr.

---
 S1_S2_RR_not_equal.csv                        |  37 ++++++++++
 initial_ro_sweep_results.csv                  |  67 ++++++++++++++++++
 ps_demo.h5                                    | Bin 15480 -> 99288 bytes
 ro_sweep_brine_lim(1).csv                     |  37 ++++++++++
 ro_sweep_brine_lim.csv                        |  37 ++++++++++
 ro_sweep_results.csv                          |  42 ++---------
 .../surrogate_models/energy_param_sweep.py    |  42 +++++------
 src/wrd/surrogate_models/param_sweep_fxs.py   |  32 +++++----
 8 files changed, 220 insertions(+), 74 deletions(-)
 create mode 100644 S1_S2_RR_not_equal.csv
 create mode 100644 initial_ro_sweep_results.csv
 create mode 100644 ro_sweep_brine_lim(1).csv
 create mode 100644 ro_sweep_brine_lim.csv

diff --git a/S1_S2_RR_not_equal.csv b/S1_S2_RR_not_equal.csv
new file mode 100644
index 0000000..2264f75
--- /dev/null
+++ b/S1_S2_RR_not_equal.csv
@@ -0,0 +1,37 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3),Stage1 Pump Speed (-),Stage2 Pump Speed (-)
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+9.160000e-01,1.636667e-01,5.859043e-01,6.311261e-01,4.500770e-01,1.636667e-01,6.777368e-02,2.500000e-02,6.777368e-02,2.500000e-02,1.374814e-02,2.440744e+05,8.715248e+05,7.844587e+05,9.452987e+05,1.114718e+06,8.540810e+05,2.043310e+05,1.788949e+05,2.195495e+04,3.481119e+03,2.052139e-04,2.249860e-04,1.381281e-04,1.242183e-02,1.874589e-02,2.029934e-01,9.324953e-01,1.000000e+00
+9.160000e-01,1.698889e-01,5.924551e-01,6.389242e-01,4.291700e-01,1.698889e-01,6.923737e-02,2.500000e-02,6.923737e-02,2.500000e-02,1.427081e-02,2.440744e+05,9.070647e+05,8.165571e+05,9.808386e+05,1.146816e+06,8.426590e+05,2.180603e+05,1.946304e+05,2.212476e+04,1.305096e+03,2.148222e-04,2.327702e-04,1.318662e-04,1.197653e-02,1.868773e-02,2.155373e-01,9.579867e-01,1.000000e+00
+9.160000e-01,1.761111e-01,5.968060e-01,6.425370e-01,4.171787e-01,1.761111e-01,7.100697e-02,2.538243e-02,7.100697e-02,2.538243e-02,1.479349e-02,2.440744e+05,9.401688e+05,8.452761e+05,1.013943e+06,1.175535e+06,8.413409e+05,2.324364e+05,2.103163e+05,2.231989e+04,-1.997713e+02,2.237763e-04,2.398488e-04,1.298537e-04,1.157077e-02,1.846297e-02,2.201895e-01,9.818163e-01,1.000000e+00
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+9.250000e-01,1.698889e-01,5.924551e-01,6.389242e-01,4.903300e-01,1.698889e-01,6.923737e-02,2.500000e-02,6.923737e-02,2.500000e-02,1.274183e-02,2.440744e+05,9.070647e+05,8.165571e+05,9.808386e+05,1.146816e+06,9.178064e+05,2.218177e+05,1.946304e+05,2.212476e+04,5.062468e+03,2.148222e-04,2.327702e-04,1.533246e-04,1.197653e-02,1.868773e-02,2.040510e-01,9.579867e-01,1.000000e+00
+9.250000e-01,1.761111e-01,5.985724e-01,6.463736e-01,4.716631e-01,1.761111e-01,7.069588e-02,2.500000e-02,7.069588e-02,2.500000e-02,1.320850e-02,2.440744e+05,9.426163e+05,8.485138e+05,1.016390e+06,1.178773e+06,9.085295e+05,2.363265e+05,2.110391e+05,2.228656e+04,3.000788e+03,2.244352e-04,2.405334e-04,1.476293e-04,1.156647e-02,1.863058e-02,2.147927e-01,9.830814e-01,1.000000e+00
diff --git a/initial_ro_sweep_results.csv b/initial_ro_sweep_results.csv
new file mode 100644
index 0000000..a9519c3
--- /dev/null
+++ b/initial_ro_sweep_results.csv
@@ -0,0 +1,67 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine Flow (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
+8.80E-01,1.45E-01,5.53E-01,5.53E-01,4.00E-01,1.45E-01,6.48E-02,2.90E-02,6.48E-02,2.90E-02,1.74E-02,2.44E+05,7.53E+05,6.27E+05,8.27E+05,9.57E+05,7.68E+05,1.58E+05,1.33E+05,1.77E+04,8.18E+03,1.73E-04,1.87E-04,1.33E-04,1.41E-02,1.84E-02,1.43E-01
+8.80E-01,1.51E-01,5.53E-01,5.53E-01,4.00E-01,1.51E-01,6.77E-02,3.03E-02,6.77E-02,3.03E-02,1.82E-02,2.44E+05,7.79E+05,6.56E+05,8.52E+05,9.86E+05,7.84E+05,1.70E+05,1.44E+05,1.88E+04,7.77E+03,1.80E-04,1.94E-04,1.37E-04,1.35E-02,1.77E-02,1.37E-01
+8.80E-01,1.58E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.80E-01,1.64E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.80E-01,1.70E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.80E-01,1.76E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
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+8.90E-01,1.64E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.90E-01,1.70E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.90E-01,1.76E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
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+9.10E-01,1.45E-01,5.96E-01,5.96E-01,4.48E-01,1.45E-01,5.85E-02,2.36E-02,5.85E-02,2.36E-02,1.31E-02,2.44E+05,8.03E+05,6.34E+05,8.77E+05,9.65E+05,8.08E+05,1.66E+05,1.46E+05,1.26E+04,8.22E+03,1.87E-04,1.86E-04,1.30E-04,1.39E-02,2.21E-02,2.00E-01
+9.10E-01,1.51E-01,5.97E-01,5.97E-01,4.46E-01,1.51E-01,6.10E-02,2.46E-02,6.10E-02,2.46E-02,1.36E-02,2.44E+05,8.31E+05,6.62E+05,9.05E+05,9.93E+05,8.21E+05,1.79E+05,1.58E+05,1.32E+04,7.82E+03,1.94E-04,1.93E-04,1.33E-04,1.33E-02,2.13E-02,1.94E-01
+9.10E-01,1.58E-01,5.98E-01,5.98E-01,4.44E-01,1.58E-01,6.34E-02,2.55E-02,6.34E-02,2.55E-02,1.42E-02,2.44E+05,8.60E+05,6.91E+05,9.33E+05,1.02E+06,8.34E+05,1.92E+05,1.70E+05,1.38E+04,7.34E+03,2.02E-04,2.00E-04,1.37E-04,1.28E-02,2.06E-02,1.89E-01
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diff --git a/ps_demo.h5 b/ps_demo.h5
index ac8d89da4ce026fe7c3486dcd82ca235c36a25cf..75f6f85a3739997d7f6dd1f4c17e3b4ffb5075ee 100644
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diff --git a/ro_sweep_brine_lim(1).csv b/ro_sweep_brine_lim(1).csv
new file mode 100644
index 0000000..ec568f7
--- /dev/null
+++ b/ro_sweep_brine_lim(1).csv
@@ -0,0 +1,37 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
+8.800000e-01,1.450000e-01,5.839279e-01,5.839279e-01,3.068222e-01,1.450000e-01,6.033047e-02,2.510187e-02,6.033047e-02,2.510187e-02,1.740008e-02,2.440744e+05,7.888760e+05,6.325741e+05,8.626499e+05,9.628330e+05,6.570158e+05,1.570969e+05,1.418657e+05,1.400423e+04,1.227061e+03,1.828442e-04,1.861573e-04,9.080377e-05,1.391783e-02,2.091097e-02,2.204861e-01
+8.800000e-01,1.512222e-01,5.844850e-01,5.844850e-01,3.049622e-01,1.512222e-01,6.283512e-02,2.610898e-02,6.283512e-02,2.610898e-02,1.814675e-02,2.440744e+05,8.162474e+05,6.607105e+05,8.900213e+05,9.909694e+05,6.662238e+05,1.686141e+05,1.536270e+05,1.469921e+04,2.878957e+02,1.902522e-04,1.933741e-04,9.332732e-05,1.337931e-02,2.015657e-02,2.143733e-01
+8.800000e-01,1.574444e-01,5.850838e-01,5.850838e-01,3.029546e-01,1.574444e-01,6.532627e-02,2.710497e-02,6.532627e-02,2.710497e-02,1.889343e-02,2.440744e+05,8.437176e+05,6.888193e+05,9.174915e+05,1.019078e+06,6.750313e+05,1.806089e+05,1.659429e+05,1.541343e+04,-7.474519e+02,1.976874e-04,2.005825e-04,9.572745e-05,1.288241e-02,1.946445e-02,2.088784e-01
+8.800000e-01,1.636667e-01,5.857186e-01,5.857186e-01,3.008168e-01,1.636667e-01,6.780408e-02,2.809001e-02,6.780408e-02,2.809001e-02,1.964010e-02,2.440744e+05,8.712853e+05,7.168987e+05,9.450592e+05,1.047158e+06,6.834501e+05,1.930945e+05,1.788276e+05,1.614606e+04,-1.879142e+03,2.051495e-04,2.077821e-04,9.800780e-05,1.242249e-02,1.882722e-02,2.039268e-01
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diff --git a/ro_sweep_brine_lim.csv b/ro_sweep_brine_lim.csv
new file mode 100644
index 0000000..3008e63
--- /dev/null
+++ b/ro_sweep_brine_lim.csv
@@ -0,0 +1,37 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
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diff --git a/ro_sweep_results.csv b/ro_sweep_results.csv
index 969f7e4..8b9bebb 100644
--- a/ro_sweep_results.csv
+++ b/ro_sweep_results.csv
@@ -1,37 +1,5 @@
-# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
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-8.900000e-01,1.701111e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
-8.900000e-01,1.763889e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
-9.000000e-01,1.450000e-01,5.917513e-01,5.917513e-01,4.000000e-01,1.450000e-01,5.919608e-02,2.416677e-02,2.440744e+05,7.978947e+05,6.336828e+05,8.716686e+05,9.639417e+05,7.559333e+05,1.632732e+05,1.442445e+05,1.311987e+04,5.908797e+03,1.852688e-04,1.858729e-04,1.164548e-04,1.388706e-02,2.165930e-02,2.023717e-01
-9.000000e-01,1.512778e-01,5.917513e-01,5.917513e-01,4.000000e-01,1.512778e-01,6.175898e-02,2.521307e-02,2.440744e+05,8.251995e+05,6.618502e+05,8.989734e+05,9.921090e+05,7.699223e+05,1.753458e+05,1.560859e+05,1.381028e+04,5.449662e+03,1.926601e-04,1.931361e-04,1.206083e-04,1.334768e-02,2.081894e-02,1.948446e-01
-9.000000e-01,1.575556e-01,5.917513e-01,5.917513e-01,4.000000e-01,1.575556e-01,6.432187e-02,2.625937e-02,2.440744e+05,8.524999e+05,6.900057e+05,9.262738e+05,1.020265e+06,7.838285e+05,1.879193e+05,1.684575e+05,1.453441e+04,4.927453e+03,2.000507e-04,2.003982e-04,1.247486e-04,1.285045e-02,2.004411e-02,1.878657e-01
-9.000000e-01,1.638333e-01,5.917513e-01,5.917513e-01,4.000000e-01,1.638333e-01,6.688477e-02,2.730567e-02,2.440744e+05,8.797964e+05,7.181507e+05,9.535703e+05,1.048410e+06,7.976612e+05,2.010076e+05,1.813728e+05,1.529264e+04,4.342177e+03,2.074408e-04,2.076595e-04,1.288773e-04,1.239060e-02,1.932741e-02,1.813777e-01
-9.000000e-01,1.701111e-01,5.917513e-01,5.917513e-01,4.000000e-01,1.701111e-01,6.944766e-02,2.835197e-02,2.440744e+05,9.070892e+05,7.462860e+05,9.808631e+05,1.076545e+06,8.114285e+05,2.146246e+05,1.948455e+05,1.608526e+04,3.693837e+03,2.148304e-04,2.149200e-04,1.329957e-04,1.196404e-02,1.866252e-02,1.753309e-01
-9.000000e-01,1.763889e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
-9.100000e-01,1.450000e-01,5.962921e-01,5.962921e-01,4.477838e-01,1.450000e-01,5.853766e-02,2.363216e-02,2.440744e+05,8.031387e+05,6.342876e+05,8.769126e+05,9.645465e+05,8.081746e+05,1.664676e+05,1.456348e+05,1.261416e+04,8.218652e+03,1.866786e-04,1.856872e-04,1.297479e-04,1.387149e-02,2.211734e-02,2.000212e-01
-9.100000e-01,1.512778e-01,5.968959e-01,5.968959e-01,4.461283e-01,1.512778e-01,6.098071e-02,2.458162e-02,2.440744e+05,8.313794e+05,6.624288e+05,9.051533e+05,9.926876e+05,8.214336e+05,1.787662e+05,1.577635e+05,1.318557e+04,7.817192e+03,1.943220e-04,1.928966e-04,1.334913e-04,1.333105e-02,2.131874e-02,1.939875e-01
-9.100000e-01,1.575556e-01,5.975377e-01,5.975377e-01,4.443602e-01,1.575556e-01,6.341018e-02,2.552025e-02,2.440744e+05,8.597194e+05,6.905357e+05,9.334933e+05,1.020795e+06,8.343027e+05,1.915705e+05,1.704616e+05,1.377097e+04,7.337943e+03,2.019928e-04,2.000957e-04,1.371107e-04,1.283281e-02,2.058654e-02,1.885065e-01
-9.100000e-01,1.638333e-01,5.982136e-01,5.982136e-01,4.424893e-01,1.638333e-01,6.582602e-02,2.644805e-02,2.440744e+05,8.881591e+05,7.186064e+05,9.619330e+05,1.048865e+06,8.467896e+05,2.048938e+05,1.837443e+05,1.436916e+04,6.780391e+03,2.096910e-04,2.072843e-04,1.406085e-04,1.237201e-02,1.991295e-02,1.835142e-01
-9.100000e-01,1.701111e-01,5.989204e-01,5.989204e-01,4.405227e-01,1.701111e-01,6.822812e-02,2.736496e-02,2.440744e+05,9.166993e+05,7.466392e+05,9.904732e+05,1.076898e+06,8.588993e+05,2.187493e+05,1.976266e+05,1.497875e+04,6.143987e+03,2.174169e-04,2.144620e-04,1.439859e-04,1.194458e-02,1.929138e-02,1.789573e-01
-9.100000e-01,1.763889e-01,6.047245e-01,6.047245e-01,4.239715e-01,1.763889e-01,6.972222e-02,2.755954e-02,2.440744e+05,9.523834e+05,7.747003e+05,1.026157e+06,1.104959e+06,8.511690e+05,2.331991e+05,2.142136e+05,1.477061e+04,4.214883e+03,2.270664e-04,2.212424e-04,1.395426e-04,1.153628e-02,1.917230e-02,1.865626e-01
-9.200000e-01,1.450000e-01,6.010544e-01,6.010544e-01,4.973518e-01,1.450000e-01,5.784712e-02,2.307790e-02,2.440744e+05,8.086461e+05,6.348962e+05,8.824200e+05,9.651551e+05,8.646059e+05,1.697932e+05,1.471005e+05,1.209027e+04,1.060243e+04,1.881593e-04,1.854772e-04,1.440293e-04,1.385698e-02,2.261763e-02,2.010971e-01
-9.200000e-01,1.512778e-01,6.016428e-01,6.016428e-01,4.958660e-01,1.512778e-01,6.026261e-02,2.400609e-02,2.440744e+05,8.370898e+05,6.629303e+05,9.108637e+05,9.931892e+05,8.792369e+05,1.823220e+05,1.593199e+05,1.261676e+04,1.038535e+04,1.958577e-04,1.926580e-04,1.481947e-04,1.331756e-02,2.180021e-02,1.948669e-01
-9.200000e-01,1.575556e-01,6.022715e-01,6.022715e-01,4.942709e-01,1.575556e-01,6.266436e-02,2.492345e-02,2.440744e+05,8.656342e+05,6.909295e+05,9.394081e+05,1.021188e+06,8.934785e+05,1.953626e+05,1.721108e+05,1.315532e+04,1.009644e+04,2.035839e-04,1.998282e-04,1.522337e-04,1.282027e-02,2.105108e-02,1.892007e-01
-9.200000e-01,1.638333e-01,6.029366e-01,6.029366e-01,4.925751e-01,1.638333e-01,6.505224e-02,2.582991e-02,2.440744e+05,8.942803e+05,7.188917e+05,9.680542e+05,1.049151e+06,9.073372e+05,2.089280e+05,1.854883e+05,1.370462e+04,9.735059e+03,2.113381e-04,2.069873e-04,1.561484e-04,1.236036e-02,2.036222e-02,1.840339e-01
-9.200000e-01,1.701111e-01,6.036353e-01,6.036353e-01,4.907847e-01,1.701111e-01,6.742606e-02,2.672536e-02,2.440744e+05,9.230296e+05,7.468149e+05,9.968035e+05,1.077074e+06,9.208165e+05,2.230314e+05,1.994678e+05,1.426307e+04,9.300512e+03,2.191206e-04,2.141350e-04,1.599397e-04,1.193376e-02,1.972688e-02,1.793123e-01
-9.200000e-01,1.763889e-01,6.047245e-01,6.047245e-01,4.879744e-01,1.763889e-01,6.972222e-02,2.755954e-02,2.440744e+05,9.523834e+05,7.747003e+05,1.026157e+06,1.104959e+06,9.325777e+05,2.376863e+05,2.142136e+05,1.477061e+04,8.702057e+03,2.270664e-04,2.212424e-04,1.630656e-04,1.153628e-02,1.917230e-02,1.757268e-01
-9.300000e-01,1.450000e-01,6.062159e-01,6.062159e-01,5.485771e-01,1.450000e-01,5.709871e-02,2.248461e-02,2.440744e+05,8.146242e+05,6.355313e+05,8.883981e+05,9.657902e+05,9.267428e+05,1.733239e+05,1.486979e+05,1.153045e+04,1.309555e+04,1.897665e-04,1.852328e-04,1.596037e-04,1.384335e-02,2.318415e-02,2.062876e-01
-9.300000e-01,1.512778e-01,6.067686e-01,6.067686e-01,5.473074e-01,1.512778e-01,5.948719e-02,2.339228e-02,2.440744e+05,8.432650e+05,6.634423e+05,9.170389e+05,9.937012e+05,9.427696e+05,1.860893e+05,1.610099e+05,1.201129e+04,1.306821e+04,1.975184e-04,1.923823e-04,1.642079e-04,1.330499e-02,2.234329e-02,1.997019e-01
-9.300000e-01,1.575556e-01,6.073663e-01,6.073663e-01,5.459281e-01,1.575556e-01,6.186165e-02,2.428902e-02,2.440744e+05,8.720092e+05,6.913189e+05,9.457831e+05,1.021578e+06,9.584055e+05,1.993723e+05,1.738955e+05,1.250227e+04,1.297454e+04,2.052988e-04,1.995209e-04,1.686813e-04,1.280867e-02,2.157322e-02,1.937106e-01
-9.300000e-01,1.638333e-01,6.080050e-01,6.080050e-01,5.444471e-01,1.638333e-01,6.422186e-02,2.517470e-02,2.440744e+05,9.008582e+05,7.191586e+05,9.746321e+05,1.049417e+06,9.736557e+05,2.131858e+05,1.873701e+05,1.300189e+04,1.281378e+04,2.131080e-04,2.066481e-04,1.730260e-04,1.234968e-02,2.086564e-02,1.882460e-01
-9.300000e-01,1.701111e-01,6.086820e-01,6.086820e-01,5.428695e-01,1.701111e-01,6.656756e-02,2.604914e-02,2.440744e+05,9.298144e+05,7.469589e+05,1.003588e+06,1.077218e+06,9.885225e+05,2.275428e+05,2.014494e+05,1.350834e+04,1.258504e+04,2.209467e-04,2.137633e-04,1.772424e-04,1.192393e-02,2.021355e-02,1.832513e-01
-9.300000e-01,1.763889e-01,6.093952e-01,6.093952e-01,5.411988e-01,1.763889e-01,6.889838e-02,2.691210e-02,2.440744e+05,9.588805e+05,7.747177e+05,1.032654e+06,1.104977e+06,1.003005e+06,2.424563e+05,2.161493e+05,1.401956e+04,1.228739e+04,2.288154e-04,2.208658e-04,1.813303e-04,1.152796e-02,1.961101e-02,1.786787e-01
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
+8.800000e-01,1.450000e-01,5.839279e-01,5.839279e-01,3.068222e-01,1.450000e-01,6.033047e-02,2.510187e-02,6.033047e-02,2.510187e-02,1.740008e-02,2.440744e+05,7.888760e+05,6.325741e+05,8.626499e+05,9.628330e+05,6.570158e+05,1.570969e+05,1.418657e+05,1.400423e+04,1.227061e+03,1.828442e-04,1.861573e-04,9.080377e-05,1.391783e-02,2.091097e-02,2.204861e-01
+8.800000e-01,1.761111e-01,5.870788e-01,5.870788e-01,2.962027e-01,1.761111e-01,7.272003e-02,3.002769e-02,7.272003e-02,3.002769e-02,2.113344e-02,2.440744e+05,9.267107e+05,7.729618e+05,1.000485e+06,1.103221e+06,6.991587e+05,2.195914e+05,2.063614e+05,1.766231e+04,-4.432272e+03,2.201534e-04,2.221535e-04,1.022200e-04,1.159825e-02,1.769344e-02,1.954166e-01
+9.300000e-01,1.450000e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.300000e-01,1.761111e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
diff --git a/src/wrd/surrogate_models/energy_param_sweep.py b/src/wrd/surrogate_models/energy_param_sweep.py
index 0902a79..145b0ed 100644
--- a/src/wrd/surrogate_models/energy_param_sweep.py
+++ b/src/wrd/surrogate_models/energy_param_sweep.py
@@ -18,7 +18,7 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
         # Arguments being used in the demo
         "h5_results_file_name": "ps_demo.h5",  # Resulting output file name
         "build_model": build_flowsheet,  # Function that builds the flowsheet model
-        "build_model_kwargs": dict(scenario=None, op_limts=op_limits),
+        "build_model_kwargs": dict(scenario=None, op_limits=op_limits),
         "build_sweep_params": build_sweep_params,  # Function for building sweep param dictionary
         "build_sweep_params_kwargs": dict(
             num_samples=num_samples, var_lims=var_lims, scenario="default"
@@ -32,7 +32,7 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
         "parallel_back_end": "MultiProcessing",  # ConcurrentFutures, MPI, Ray available
         "number_of_subprocesses": num_procs,
         # Additional useful keyword arguments
-        "csv_results_file_name": "ro_sweep_results.csv",  # For storing results as CSV
+        "csv_results_file_name": "S1_S2_RR_not_equal.csv",  # For storing results as CSV
         "h5_parent_group_name": None,  # Useful for loop tool
         "update_sweep_params_before_init": False,
         "initialize_before_sweep": False, #!!!!!!!
@@ -54,42 +54,34 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
 if __name__ == "__main__":
     num_samples = 6
     num_procs = 6
-    op_limts = {
+    op_limits = {
+        # What if instead of recovery bounds, I added a minimum brine flowrate to as the other limit, and then just find out what the recovery limit would be.
         "Stage 1": {
-            "RR_min": 0.55,
-            "RR_max": 0.62,
-            "Qin_min": 420 / 3600,
-            "Qin_max": 635 / 3600,
+            "Qout_min": 3*72/3600, # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train
+            # "Qin_min": 520 / 3600, # So then what is bounding the recovery exactly?
+            # "Qin_max": 635 / 3600, # Based on pump limitation
         },
         "Stage 2": {
-            "RR_min": 0.55,
-            "RR_max": 0.62,
-            "Qin_min": 200 / 3600,
-            "Qin_max": 251 / 3600,
+            "Qout_min": 3*30/3600, 
+            # "Qin_min": 200 / 3600,
+            # "Qin_max": 251 / 3600, # This came from stage 1 min recovery of 55%
         },
         "Stage 3": {
-            "RR_min": 0.40,
-            "RR_max": 0.55,
-            "Qin_min": 75 / 3600,
-            "Qin_max": 126 / 3600,
+            "Qout_min": 3*15/3600, 
+            # "Qin_min": 75 / 3600,
+            # "Qin_max": 126 / 3600,
         },
     }
 
     var_lims = {
         "RR_lb": 0.88,
-        "RR_ub": 0.93,
+        "RR_ub": 0.925,
         "Qin_lb": 522 / 3600,  # m3/s
-        "Qin_ub": 635 / 3600,  # m3/s
+        "Qin_ub": 634 / 3600,  # m3/s
     }
-    # Tighter limits on flowrate and recovery
-    # var_lims = {
-    #     "RR_lb": 0.9,
-    #     "RR_ub": 0.92,
-    #     "Qin_lb": 602 / 3600,  # m3/s
-    #     "Qin_ub": 635 / 3600,  # m3/s
-    # }
+
     ps, kwargs_dict = create_parameter_sweep_object(
-        num_samples, num_procs, op_limts, var_lims
+        num_samples, num_procs, op_limits, var_lims
     )
 
     results_array, results_dict = ps.parameter_sweep(
diff --git a/src/wrd/surrogate_models/param_sweep_fxs.py b/src/wrd/surrogate_models/param_sweep_fxs.py
index 70f4067..3a80618 100644
--- a/src/wrd/surrogate_models/param_sweep_fxs.py
+++ b/src/wrd/surrogate_models/param_sweep_fxs.py
@@ -80,7 +80,7 @@ def report_ports_with_multiple_arcs(model):
     return found_issue
 
 # Build flowsheet function
-def build_flowsheet(op_limts=None,scenario=None):
+def build_flowsheet(op_limits=None,scenario=None):
     m = ConcreteModel()
     m.fs = FlowsheetBlock(dynamic=False)
     m.fs.properties = NaClParameterBlock()
@@ -164,14 +164,16 @@ def build_flowsheet(op_limts=None,scenario=None):
     set_ro_train_op_conditions(m.fs.ro_train)
     # Set limits on each stage recovery and flowrate
     for i in m.fs.ro_train.stages:
-        m.fs.ro_train.stage[i].ro.unit.recovery_vol_phase[0, "Liq"].setlb(op_limts[f"Stage {i}"]["RR_min"])
-        m.fs.ro_train.stage[i].ro.unit.recovery_vol_phase[0, "Liq"].setub(op_limts[f"Stage {i}"]["RR_max"])
-        m.fs.ro_train.stage[i].feed.properties[0].flow_vol_phase["Liq"].setlb(
-            op_limts[f"Stage {i}"]["Qin_min"]
-        )
-        m.fs.ro_train.stage[i].feed.properties[0].flow_vol_phase["Liq"].setub(
-            op_limts[f"Stage {i}"]["Qin_max"]
-        )
+
+        # m.fs.ro_train.stage[i].feed.properties[0].flow_vol_phase["Liq"].setlb(
+        #     op_limits[f"Stage {i}"]["Qin_min"]
+        # )
+        # m.fs.ro_train.stage[i].feed.properties[0].flow_vol_phase["Liq"].setub(
+        #     op_limits[f"Stage {i}"]["Qin_max"]
+        # )
+        m.fs.ro_train.stage[i].disposal.properties[0].flow_vol_phase["Liq"].setlb(op_limits[f"Stage {i}"]["Qout_min"])
+        # m.fs.ro_train.stage[i].ro.unit.recovery_vol_phase[0, "Liq"].setlb(op_limits[f"Stage {i}"]["RR_min"])
+        # m.fs.ro_train.stage[i].ro.unit.recovery_vol_phase[0, "Liq"].setub(op_limits[f"Stage {i}"]["RR_max"])
     print(degrees_of_freedom(m)) # Should be zero.
     return m
 
@@ -266,9 +268,9 @@ def optimize(m, solver=None, check_termination=True):
     m.fs.ro_train.stage[1].pump.unit.control_volume.properties_out[0].pressure.unfix()
     m.fs.ro_train.stage[2].pump.unit.control_volume.properties_out[0].pressure.unfix()
     m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].pressure.unfix()
-    # But to make sure there are 0 DOF Assume S1 and S2 have same recovery and 
-    m.fs.ro_train.eq_recovery = Constraint(
-        expr= m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, "Liq"] == m.fs.ro_train.stage[2].ro.unit.recovery_vol_phase[0, "Liq"])   
+    # Reduce DOF by assume S1 and S2 have same recovery, which is about typical from data, but not necessarily optimal... 
+    # m.fs.ro_train.eq_recovery = Constraint(
+    #     expr= m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, "Liq"] == m.fs.ro_train.stage[2].ro.unit.recovery_vol_phase[0, "Liq"])   
     
     m.fs.obj = Objective(expr= m.fs.ro_train.total_pump_power, sense=minimize) # Dummy objective to trigger solve
 
@@ -297,6 +299,9 @@ def _pump_unit(stage_blk):
     outputs["Stage1 Qin (m3/s)"] = m.fs.ro_train.stage[1].feed.properties[0].flow_vol_phase["Liq"]
     outputs["Stage2 Qin (m3/s)"] = m.fs.ro_train.stage[2].feed.properties[0].flow_vol_phase["Liq"]
     outputs["Stage3 Qin (m3/s)"] = m.fs.ro_train.stage[3].feed.properties[0].flow_vol_phase["Liq"]
+    outputs["Stage1 Brine (m3/s)"] = m.fs.ro_train.stage[1].disposal.properties[0].flow_vol_phase["Liq"]
+    outputs["Stage2 Brine (m3/s)"] = m.fs.ro_train.stage[2].disposal.properties[0].flow_vol_phase["Liq"]
+    outputs["Stage3 Brine (m3/s)"] = m.fs.ro_train.stage[3].disposal.properties[0].flow_vol_phase["Liq"]
 
     pump1 = _pump_unit(m.fs.ro_train.stage[1])
     pump2 = _pump_unit(m.fs.ro_train.stage[2])
@@ -323,6 +328,9 @@ def _pump_unit(stage_blk):
     outputs["Stage1 Perm. Conc. (kg/m3)"] = m.fs.ro_train.stage[1].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
     outputs["Stage2 Perm. Conc. (kg/m3)"] = m.fs.ro_train.stage[2].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
     outputs["Stage3 Perm. Conc. (kg/m3)"] = m.fs.ro_train.stage[3].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
+    outputs["Stage1 Pump Speed (-)"] = pump1.design_speed_fraction
+    outputs["Stage2 Pump Speed (-)"] = pump2.design_speed_fraction
+    # outputs["Stage3 Pump Speed (-)"] = pump3.design_speed_fraction # Pump 3 has no speed fraction
 
     return outputs
 

From 18b4092063f85926e91a6eda9312446b54904f6d Mon Sep 17 00:00:00 2001
From: Jake Churchill <jake.churchill@nrel.gov>
Date: Fri, 8 May 2026 13:30:32 -0600
Subject: [PATCH 07/12] Created sample energy surrogate

Co-authored-by: Copilot <copilot@github.com>
---
 ro_sweep_brine_lim(1).csv                     | 105 ++++++----
 solution.pickle                               | Bin 0 -> 5957 bytes
 src/wrd/surrogate_models/energy_surrogate.py  | 186 ++++++++++++++++++
 .../ro_power_poly_fit_order_2.json            |   1 +
 .../surrogate_models/ro_sweep_brine_lim.csv   |  67 +++++++
 5 files changed, 323 insertions(+), 36 deletions(-)
 create mode 100644 solution.pickle
 create mode 100644 src/wrd/surrogate_models/energy_surrogate.py
 create mode 100644 src/wrd/surrogate_models/ro_power_poly_fit_order_2.json
 create mode 100644 src/wrd/surrogate_models/ro_sweep_brine_lim.csv

diff --git a/ro_sweep_brine_lim(1).csv b/ro_sweep_brine_lim(1).csv
index ec568f7..9775c49 100644
--- a/ro_sweep_brine_lim(1).csv
+++ b/ro_sweep_brine_lim(1).csv
@@ -1,37 +1,70 @@
 # Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
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diff --git a/src/wrd/surrogate_models/energy_surrogate.py b/src/wrd/surrogate_models/energy_surrogate.py
new file mode 100644
index 0000000..cc65c9e
--- /dev/null
+++ b/src/wrd/surrogate_models/energy_surrogate.py
@@ -0,0 +1,186 @@
+import pandas as pd
+import numpy as np
+import os
+
+from pyomo.environ import (
+    Param,
+    Var,
+    value,
+    units as pyunits,
+    ConcreteModel,
+)
+
+from idaes.core.surrogate.pysmo_surrogate import (
+    PysmoRBFTrainer,
+    PysmoPolyTrainer,
+    PysmoSurrogate,
+)
+from idaes.core.surrogate.sampling.data_utils import (
+    split_training_validation,
+)  # Yes, it's a random split
+from idaes.core.surrogate.plotting.sm_plotter import (
+    surrogate_scatter2D,
+    surrogate_parity,
+    surrogate_residual,
+)
+from idaes.core.util.scaling import calculate_variable_from_constraint
+
+from idaes.core.surrogate.pysmo.sampling import LatinHypercubeSampling
+from idaes.core.surrogate.surrogate_block import SurrogateBlock
+from matplotlib import pyplot as plt
+from watertap.core.solvers import get_solver
+
+
+# Load Data
+# Get the absolute path of the current script
+current_script_path = os.path.abspath(__file__)
+# Get the directory containing the current script
+current_directory = os.path.dirname(current_script_path)
+filename = "ro_sweep_brine_lim.csv"
+data_path = os.path.join(current_directory, filename)
+Data = pd.read_csv(data_path)
+# Create PySMO Surrogate Model
+
+input_data = Data.iloc[:,0:1] ## RR,feed flow
+output_data = Data.iloc[:,17] #Check exact colum number for total power
+input_labels = [Data.columns[0], Data.columns[1]]
+output_labels = [Data.columns[17]]#Check exact colum number for total power
+
+# Remove the rows with nan values
+Data = Data.dropna(subset=output_labels)
+
+# Check data is all expected
+assert pd.to_numeric(Data[input_labels[0]], errors="coerce").notnull().all()
+assert pd.to_numeric(Data[output_labels[0]], errors="coerce").notnull().all()
+
+# Scale Data
+Data_Scaled = Data.copy()
+# Change this as appropriate
+Data_Scaled[output_labels[0]] = Data[output_labels[0]].mul(1e-5) # Power is in W, scale down
+RRmin = min(Data_Scaled[input_labels[0]])
+RRmax = max(Data_Scaled[input_labels[0]])
+flowmin = min(Data_Scaled[input_labels[1]])
+flowmax = max(Data_Scaled[input_labels[1]])
+
+input_bounds = {'Recovery': (RRmin, RRmax), 'Feed Flow': (flowmin, flowmax)}
+
+# Sample Data
+n_data = output_data.size
+# training_fraction = 0.8 # If I have like 30 points, not sure have to do training split
+# data_training, data_validation = split_training_validation(Data_Scaled, training_fraction, seed= n_data)
+# Create Surrogate
+trainer = PysmoPolyTrainer(
+    input_labels=input_labels, 
+    output_labels=output_labels,
+    training_dataframe = Data_Scaled
+    )
+trainer.config.maximum_polynomial_order = 2
+
+trained_surr = trainer.train_surrogate()
+Surrogate = PysmoSurrogate(trained_surr, input_labels, output_labels, input_bounds)
+# Visualize Surrogate
+m = ConcreteModel()
+m.flowrate = Var()
+m.recovery = Var()
+m.power = Var()
+
+m.surrogate_blk = SurrogateBlock(concrete=True)
+m.surrogate = Surrogate
+m.surrogate_blk.build_model(
+    m.surrogate,
+    input_vars=[m.recovery,m.flowrate],
+    output_vars=[m.power],
+)
+m.surrogate_blk.pysmo_constraint.display()  # display()
+#m.surrogate_blk.pysmo_constraint["F_t"].pprint()
+
+minx1, maxx1 = m.recovery.bounds
+minx2, maxx2 = m.flowrate.bounds
+miny, maxy = m.power.bounds
+
+num_points = 25
+x1_vals = np.linspace(minx1, maxx1, num=num_points)
+x2_vals = np.linspace(minx2, maxx2, num=num_points)
+y_vals = np.zeros((num_points, num_points))
+solver = get_solver()
+for i in range(num_points):
+    for j in range(num_points):
+        m.recovery.fix(x1_vals[i])
+        m.flowrate.fix(x2_vals[j])
+        calculate_variable_from_constraint(m.power, m.surrogate_blk.pysmo_constraint["Total Power (W)"])
+        # m.surrogate_blk.display()
+        # results = solver.solve(m, tee=True)
+        # m.surrogate_blk.display()
+        # print(m.flowrate.value, m.power.value)
+        y_vals[i, j] = m.power.value
+    # assert False   
+
+X1, X2 = np.meshgrid(x1_vals, x2_vals, indexing="ij")
+
+fig = plt.figure()
+ax = fig.add_subplot(111, projection="3d")
+ax.plot_surface(X1, X2, y_vals, cmap="viridis", alpha=0.85)
+# ax.scatter(X1.ravel(), X2.ravel(), y_vals.ravel(), c="r", s=12, label="Predicted")
+ax.scatter(
+    Data_Scaled[input_labels[0]],
+    Data_Scaled[input_labels[1]],
+    Data_Scaled[output_labels[0]],
+    c="r",
+    s=18,
+    alpha=0.85,
+    label="Actual Data",
+)
+
+ax.set_xlabel("RR")
+ax.set_ylabel("Feed Flowrate (m3/s)")
+ax.set_zlabel("Power (scaled)") # Check units and scaling
+ax.set_title("Train Power Consumption Surrogate")
+ax.legend()
+
+# Optionally Show the validation data
+# small_val_data = data_validation.sample(n=num_points*2)
+# plt.scatter(
+#     small_val_data["UV1_mgd"],
+#     small_val_data["UV1_kW"],
+#     c="k",
+#     label='Random Selection of Data Points'
+# )
+plt.show()
+
+# Residual plot at actual data points: percent difference = 100 * (surrogate - actual) / actual
+actual_x1 = Data_Scaled[input_labels[0]].to_numpy()
+actual_x2 = Data_Scaled[input_labels[1]].to_numpy()
+actual_z = Data_Scaled[output_labels[0]].to_numpy()
+predicted_z = np.zeros_like(actual_z, dtype=float)
+
+for k, (x1, x2) in enumerate(zip(actual_x1, actual_x2)):
+    m.recovery.fix(x1)
+    m.flowrate.fix(x2)
+    calculate_variable_from_constraint(m.power, m.surrogate_blk.pysmo_constraint["Total Power (W)"])
+    predicted_z[k] = m.power.value
+
+denominator = np.where(np.abs(actual_z) > 1e-12, actual_z, np.nan)
+percent_diff = 100.0 * (predicted_z - actual_z) / denominator
+valid_mask = np.isfinite(percent_diff)
+
+fig_res = plt.figure()
+ax_res = fig_res.add_subplot(111, projection="3d")
+res_scatter = ax_res.scatter(
+    actual_x1[valid_mask],
+    actual_x2[valid_mask],
+    percent_diff[valid_mask],
+    c=percent_diff[valid_mask],
+    cmap="coolwarm",
+    s=24,
+)
+ax_res.set_xlabel("RR")
+ax_res.set_ylabel("Feed Flowrate (m3/s)")
+ax_res.set_zlabel("Percent Difference (%)")
+ax_res.set_title("Surrogate Percent Difference at Actual Data Points")
+fig_res.colorbar(res_scatter, ax=ax_res, shrink=0.7, label="Percent Difference (%)")
+plt.show()
+
+
+# Save Surrogate
+surr_name = f"ro_power_poly_fit_order_{trainer.config.maximum_polynomial_order}.json"
+Surrogate.save_to_file(os.path.join(current_directory, surr_name), overwrite=True)
\ No newline at end of file
diff --git a/src/wrd/surrogate_models/ro_power_poly_fit_order_2.json b/src/wrd/surrogate_models/ro_power_poly_fit_order_2.json
new file mode 100644
index 0000000..84a8210
--- /dev/null
+++ b/src/wrd/surrogate_models/ro_power_poly_fit_order_2.json
@@ -0,0 +1 @@
+{"model_encoding": {"Total Power (W)": {"attr": {"regression_data_columns": ["Recovery", "Feed Flow"], "multinomials": 0, "additional_term_expressions": [], "optimal_weights_array": [[9.197335683012916], [-22.627606870773946], [-5.922856990057125], [14.72411995003637], [82.7066316695091]], "final_polynomial_order": 2, "errors": {"MAE": 0.005591160591864165, "MSE": 4.6028436028154616e-05, "R2": 0.9991455892554374, "Adjusted R2": 0.9990743883600571}, "extra_terms_feature_vector": ["IndexedParam[Recovery]", "IndexedParam[Feed Flow]"]}, "map": {"regression_data_columns": "list", "multinomials": "str", "additional_term_expressions": "list", "optimal_weights_array": "numpy", "final_polynomial_order": "str", "errors": "str", "extra_terms_feature_vector": "other"}}}, "input_labels": ["Recovery", "Feed Flow"], "output_labels": ["Total Power (W)"], "input_bounds": {"Recovery": [0.88, 0.925], "Feed Flow": [0.145, 0.176]}, "surrogate_type": "poly"}
\ No newline at end of file
diff --git a/src/wrd/surrogate_models/ro_sweep_brine_lim.csv b/src/wrd/surrogate_models/ro_sweep_brine_lim.csv
new file mode 100644
index 0000000..596ae01
--- /dev/null
+++ b/src/wrd/surrogate_models/ro_sweep_brine_lim.csv
@@ -0,0 +1,67 @@
+Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
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From f22e56deec34e020c4e50fdb51e3721915724650 Mon Sep 17 00:00:00 2001
From: Jake Churchill <jake.churchill@nrel.gov>
Date: Mon, 11 May 2026 14:53:06 -0600
Subject: [PATCH 08/12] Updated surrogates

Co-authored-by: Copilot <copilot@github.com>
---
 S1_S2_RR_not_equal.csv                        |  76 +++++++++---------
 ps_demo.h5                                    | Bin 99288 -> 15480 bytes
 solution.pickle                               | Bin 5957 -> 4701 bytes
 .../surrogate_models/S1_S2_RR_not_equal.csv   |  46 +++++++++++
 .../surrogate_models/energy_param_sweep.py    |   5 +-
 .../energy_param_sweep_pump.py                |   6 +-
 src/wrd/surrogate_models/energy_surrogate.py  |  57 ++++++-------
 src/wrd/surrogate_models/param_sweep_fxs.py   |   1 -
 .../ro_SEC_poly_fit_order_2.json              |   1 +
 uf_pump_sweep_USED_IN_PT.xlsx                 | Bin 0 -> 17789 bytes
 up_pump_sweep.csv                             |  25 +++---
 11 files changed, 138 insertions(+), 79 deletions(-)
 create mode 100644 src/wrd/surrogate_models/S1_S2_RR_not_equal.csv
 create mode 100644 src/wrd/surrogate_models/ro_SEC_poly_fit_order_2.json
 create mode 100644 uf_pump_sweep_USED_IN_PT.xlsx

diff --git a/S1_S2_RR_not_equal.csv b/S1_S2_RR_not_equal.csv
index 2264f75..d8783e0 100644
--- a/S1_S2_RR_not_equal.csv
+++ b/S1_S2_RR_not_equal.csv
@@ -1,37 +1,39 @@
-# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3),Stage1 Pump Speed (-),Stage2 Pump Speed (-)
-8.800000e-01,1.450000e-01,5.630852e-01,6.053842e-01,3.039977e-01,1.450000e-01,6.335265e-02,2.500000e-02,6.335265e-02,2.500000e-02,1.740008e-02,2.440744e+05,7.649415e+05,6.873038e+05,8.387154e+05,1.017563e+06,6.542419e+05,1.553794e+05,1.356285e+05,2.140399e+04,-1.653092e+03,1.764094e-04,2.015159e-04,8.969533e-05,1.402424e-02,1.892376e-02,2.237020e-01,8.532024e-01,1.000000e+00
-8.800000e-01,1.512222e-01,5.712852e-01,6.143840e-01,2.741308e-01,1.512222e-01,6.483122e-02,2.500000e-02,6.483122e-02,2.500000e-02,1.814675e-02,2.440744e+05,8.004670e+05,7.198331e+05,8.742409e+05,1.050092e+06,6.340083e+05,1.667060e+05,1.494033e+05,2.159395e+04,-4.291241e+03,1.860083e-04,2.093579e-04,8.117472e-05,1.343905e-02,1.886423e-02,2.502854e-01,8.801531e-01,1.000000e+00
-8.800000e-01,1.574444e-01,5.784627e-01,6.221311e-01,2.466364e-01,1.574444e-01,6.636873e-02,2.507873e-02,6.636873e-02,2.507873e-02,1.889343e-02,2.440744e+05,8.354904e+05,7.515747e+05,9.092643e+05,1.081834e+06,6.155084e+05,1.786456e+05,1.636847e+05,2.178560e+04,-6.824737e+03,1.954742e-04,2.170465e-04,7.349237e-05,1.290907e-02,1.877001e-02,2.790816e-01,9.062817e-01,1.000000e+00
-8.800000e-01,1.636667e-01,5.813442e-01,6.216460e-01,2.424237e-01,1.636667e-01,6.852002e-02,2.592488e-02,6.852002e-02,2.592488e-02,1.964010e-02,2.440744e+05,8.656467e+05,7.768424e+05,9.394206e+05,1.107101e+06,6.197921e+05,1.911441e+05,1.772450e+05,2.204207e+04,-8.143019e+03,2.036322e-04,2.233786e-04,7.434989e-05,1.243875e-02,1.835002e-02,2.759924e-01,9.292690e-01,1.000000e+00
-8.800000e-01,1.698889e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
-8.800000e-01,1.761111e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
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+Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3),Stage1 Pump Speed (-),Stage2 Pump Speed (-)
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diff --git a/ps_demo.h5 b/ps_demo.h5
index 75f6f85a3739997d7f6dd1f4c17e3b4ffb5075ee..798677a6ca44feb9cb6d218bfac31d98e16688c1 100644
GIT binary patch
delta 845
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diff --git a/src/wrd/surrogate_models/S1_S2_RR_not_equal.csv b/src/wrd/surrogate_models/S1_S2_RR_not_equal.csv
new file mode 100644
index 0000000..d88eadc
--- /dev/null
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+8.89E-01,1.64E-01,5.83E-01,6.26E-01,2.88E-01,1.64E-01,6.82E-02,2.55E-02,6.82E-02,2.55E-02,1.82E-02,2.44E+05,8.68E+05,7.80E+05,9.42E+05,1.11E+06,6.70E+05,1.94E+05,1.78E+05,2.20E+04,-5.61E+03,2.04E-04,2.24E-04,8.74E-05,1.24E-02,1.85E-02,2.52E-01,9.31E-01,1.00E+00
+8.89E-01,1.70E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.89E-01,1.76E-01,5.89E-01,6.25E-01,2.80E-01,1.76E-01,7.24E-02,2.72E-02,7.24E-02,2.72E-02,1.95E-02,2.44E+05,9.29E+05,8.30E+05,1.00E+06,1.16E+06,6.81E+05,2.21E+05,2.07E+05,2.25E+04,-8.14E+03,2.21E-04,2.37E-04,8.96E-05,1.16E-02,1.78E-02,2.46E-01,9.76E-01,1.00E+00
+8.98E-01,1.45E-01,5.63E-01,6.05E-01,4.08E-01,1.45E-01,6.34E-02,2.50E-02,6.34E-02,2.50E-02,1.48E-02,2.44E+05,7.65E+05,6.87E+05,8.39E+05,1.02E+06,7.66E+05,1.61E+05,1.36E+05,2.14E+04,3.95E+03,1.76E-04,2.02E-04,1.22E-04,1.40E-02,1.89E-02,1.88E-01,8.53E-01,1.00E+00
+8.98E-01,1.51E-01,5.71E-01,6.14E-01,3.83E-01,1.51E-01,6.48E-02,2.50E-02,6.48E-02,2.50E-02,1.54E-02,2.44E+05,8.00E+05,7.20E+05,8.74E+05,1.05E+06,7.51E+05,1.73E+05,1.49E+05,2.16E+04,1.56E+03,1.86E-04,2.09E-04,1.15E-04,1.34E-02,1.89E-02,2.03E-01,8.80E-01,1.00E+00
+8.98E-01,1.57E-01,5.79E-01,6.23E-01,3.58E-01,1.57E-01,6.63E-02,2.50E-02,6.63E-02,2.50E-02,1.61E-02,2.44E+05,8.36E+05,7.52E+05,9.10E+05,1.08E+06,7.35E+05,1.85E+05,1.64E+05,2.18E+04,-8.42E+02,1.96E-04,2.17E-04,1.07E-04,1.29E-02,1.88E-02,2.20E-01,9.07E-01,1.00E+00
+8.98E-01,1.64E-01,5.86E-01,6.31E-01,3.33E-01,1.64E-01,6.78E-02,2.50E-02,6.78E-02,2.50E-02,1.67E-02,2.44E+05,8.71E+05,7.84E+05,9.45E+05,1.11E+06,7.20E+05,1.98E+05,1.79E+05,2.20E+04,-3.22E+03,2.05E-04,2.25E-04,9.99E-05,1.24E-02,1.87E-02,2.39E-01,9.32E-01,1.00E+00
+8.98E-01,1.70E-01,5.89E-01,6.31E-01,3.29E-01,1.70E-01,6.99E-02,2.58E-02,6.99E-02,2.58E-02,1.73E-02,2.44E+05,9.02E+05,8.10E+05,9.76E+05,1.14E+06,7.26E+05,2.11E+05,1.93E+05,2.22E+04,-4.30E+03,2.13E-04,2.31E-04,1.01E-04,1.20E-02,1.83E-02,2.35E-01,9.55E-01,1.00E+00
+8.98E-01,1.76E-01,5.91E-01,6.30E-01,3.25E-01,1.76E-01,7.20E-02,2.66E-02,7.20E-02,2.66E-02,1.80E-02,2.44E+05,9.32E+05,8.35E+05,1.01E+06,1.17E+06,7.33E+05,2.25E+05,2.08E+05,2.24E+04,-5.44E+03,2.22E-04,2.38E-04,1.03E-04,1.16E-02,1.80E-02,2.32E-01,9.78E-01,1.00E+00
+9.07E-01,1.45E-01,5.63E-01,6.05E-01,4.61E-01,1.45E-01,6.34E-02,2.50E-02,6.34E-02,2.50E-02,1.35E-02,2.44E+05,7.65E+05,6.87E+05,8.39E+05,1.02E+06,8.25E+05,1.64E+05,1.36E+05,2.14E+04,6.89E+03,1.76E-04,2.02E-04,1.39E-04,1.40E-02,1.89E-02,1.77E-01,8.53E-01,1.00E+00
+9.07E-01,1.51E-01,5.71E-01,6.14E-01,4.37E-01,1.51E-01,6.48E-02,2.50E-02,6.48E-02,2.50E-02,1.41E-02,2.44E+05,8.00E+05,7.20E+05,8.74E+05,1.05E+06,8.12E+05,1.76E+05,1.49E+05,2.16E+04,4.61E+03,1.86E-04,2.09E-04,1.32E-04,1.34E-02,1.89E-02,1.90E-01,8.80E-01,1.00E+00
+9.07E-01,1.57E-01,5.79E-01,6.23E-01,4.14E-01,1.57E-01,6.63E-02,2.50E-02,6.63E-02,2.50E-02,1.46E-02,2.44E+05,8.36E+05,7.52E+05,9.10E+05,1.08E+06,7.99E+05,1.88E+05,1.64E+05,2.18E+04,2.33E+03,1.96E-04,2.17E-04,1.25E-04,1.29E-02,1.88E-02,2.03E-01,9.07E-01,1.00E+00
+9.07E-01,1.64E-01,5.86E-01,6.31E-01,3.91E-01,1.64E-01,6.78E-02,2.50E-02,6.78E-02,2.50E-02,1.52E-02,2.44E+05,8.72E+05,7.84E+05,9.45E+05,1.11E+06,7.85E+05,2.01E+05,1.79E+05,2.20E+04,4.49E+01,2.05E-04,2.25E-04,1.18E-04,1.24E-02,1.87E-02,2.17E-01,9.32E-01,1.00E+00
+9.07E-01,1.70E-01,5.91E-01,6.36E-01,3.74E-01,1.70E-01,6.94E-02,2.52E-02,6.94E-02,2.52E-02,1.58E-02,2.44E+05,9.05E+05,8.14E+05,9.79E+05,1.14E+06,7.78E+05,2.14E+05,1.94E+05,2.21E+04,-1.82E+03,2.14E-04,2.32E-04,1.14E-04,1.20E-02,1.86E-02,2.27E-01,9.57E-01,1.00E+00
+9.07E-01,1.76E-01,5.94E-01,6.36E-01,3.71E-01,1.76E-01,7.15E-02,2.60E-02,7.15E-02,2.60E-02,1.64E-02,2.44E+05,9.36E+05,8.40E+05,1.01E+06,1.17E+06,7.86E+05,2.29E+05,2.09E+05,2.24E+04,-2.81E+03,2.23E-04,2.39E-04,1.16E-04,1.16E-02,1.82E-02,2.24E-01,9.80E-01,1.00E+00
+9.16E-01,1.45E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.16E-01,1.51E-01,5.71E-01,6.14E-01,4.92E-01,1.51E-01,6.48E-02,2.50E-02,6.48E-02,2.50E-02,1.27E-02,2.44E+05,8.00E+05,7.20E+05,8.74E+05,1.05E+06,8.76E+05,1.79E+05,1.49E+05,2.16E+04,7.82E+03,1.86E-04,2.09E-04,1.51E-04,1.34E-02,1.89E-02,1.81E-01,8.80E-01,1.00E+00
+9.16E-01,1.57E-01,5.79E-01,6.23E-01,4.71E-01,1.57E-01,6.63E-02,2.50E-02,6.63E-02,2.50E-02,1.32E-02,2.44E+05,8.36E+05,7.52E+05,9.10E+05,1.08E+06,8.65E+05,1.91E+05,1.64E+05,2.18E+04,5.65E+03,1.96E-04,2.17E-04,1.44E-04,1.29E-02,1.88E-02,1.91E-01,9.07E-01,1.00E+00
+9.16E-01,1.64E-01,5.86E-01,6.31E-01,4.50E-01,1.64E-01,6.78E-02,2.50E-02,6.78E-02,2.50E-02,1.37E-02,2.44E+05,8.72E+05,7.84E+05,9.45E+05,1.11E+06,8.54E+05,2.04E+05,1.79E+05,2.20E+04,3.48E+03,2.05E-04,2.25E-04,1.38E-04,1.24E-02,1.87E-02,2.03E-01,9.32E-01,1.00E+00
+9.16E-01,1.70E-01,5.92E-01,6.39E-01,4.29E-01,1.70E-01,6.92E-02,2.50E-02,6.92E-02,2.50E-02,1.43E-02,2.44E+05,9.07E+05,8.17E+05,9.81E+05,1.15E+06,8.43E+05,2.18E+05,1.95E+05,2.21E+04,1.31E+03,2.15E-04,2.33E-04,1.32E-04,1.20E-02,1.87E-02,2.16E-01,9.58E-01,1.00E+00
+9.16E-01,1.76E-01,5.97E-01,6.43E-01,4.17E-01,1.76E-01,7.10E-02,2.54E-02,7.10E-02,2.54E-02,1.48E-02,2.44E+05,9.40E+05,8.45E+05,1.01E+06,1.18E+06,8.41E+05,2.32E+05,2.10E+05,2.23E+04,-2.00E+02,2.24E-04,2.40E-04,1.30E-04,1.16E-02,1.85E-02,2.20E-01,9.82E-01,1.00E+00
+9.25E-01,1.45E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.25E-01,1.51E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.25E-01,1.57E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.25E-01,1.64E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.25E-01,1.70E-01,5.92E-01,6.39E-01,4.90E-01,1.70E-01,6.92E-02,2.50E-02,6.92E-02,2.50E-02,1.27E-02,2.44E+05,9.07E+05,8.17E+05,9.81E+05,1.15E+06,9.18E+05,2.22E+05,1.95E+05,2.21E+04,5.06E+03,2.15E-04,2.33E-04,1.53E-04,1.20E-02,1.87E-02,2.04E-01,9.58E-01,1.00E+00
+9.25E-01,1.76E-01,5.99E-01,6.46E-01,4.72E-01,1.76E-01,7.07E-02,2.50E-02,7.07E-02,2.50E-02,1.32E-02,2.44E+05,9.43E+05,8.49E+05,1.02E+06,1.18E+06,9.09E+05,2.36E+05,2.11E+05,2.23E+04,3.00E+03,2.24E-04,2.41E-04,1.48E-04,1.16E-02,1.86E-02,2.15E-01,9.83E-01,1.00E+00
+,,,,,,,,,,,,,,,,,,,,,,,,,,,,
+Upper lim,,,,,,,,,,,,,,,,,,,,,,,,,,,,
+RR,0.88,0.889,,,,,,,,,,,,,,,,,,,,,,,,,,
+Flow,0.164,0.164,,,,,,,,,,,,,,,,,,,,,,,,,,
+Flow,590.4,590.4,,,,,,,,,,,,,,,,,,,,,,,,,,
+Lower lim,,,,,,,,,,,,,,,,,,,,,,,,,,,,
+RR,0.916,0.925,,,,,,,,,,,,,,,,,,,,,,,,,,
+Flow,0.151,0.17,,,,,,,,,,,,,,,,,,,,,,,,,,
+Flow,543.6,612,,,,,,,,,,,,,,,,,,,,,,,,,,
diff --git a/src/wrd/surrogate_models/energy_param_sweep.py b/src/wrd/surrogate_models/energy_param_sweep.py
index 145b0ed..147f171 100644
--- a/src/wrd/surrogate_models/energy_param_sweep.py
+++ b/src/wrd/surrogate_models/energy_param_sweep.py
@@ -1,4 +1,5 @@
 # Imports
+from pathlib import Path
 from pprint import pprint
 from IPython import get_ipython
 from watertap.core.solvers import get_solver
@@ -32,7 +33,9 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
         "parallel_back_end": "MultiProcessing",  # ConcurrentFutures, MPI, Ray available
         "number_of_subprocesses": num_procs,
         # Additional useful keyword arguments
-        "csv_results_file_name": "S1_S2_RR_not_equal.csv",  # For storing results as CSV
+        "csv_results_file_name": str(
+            Path(__file__).resolve().parent / "S1_S2_RR_not_equal.csv"
+        ),  # Store CSV next to this script
         "h5_parent_group_name": None,  # Useful for loop tool
         "update_sweep_params_before_init": False,
         "initialize_before_sweep": False, #!!!!!!!
diff --git a/src/wrd/surrogate_models/energy_param_sweep_pump.py b/src/wrd/surrogate_models/energy_param_sweep_pump.py
index 3a13294..1543344 100644
--- a/src/wrd/surrogate_models/energy_param_sweep_pump.py
+++ b/src/wrd/surrogate_models/energy_param_sweep_pump.py
@@ -52,12 +52,12 @@ def create_parameter_sweep_object(num_samples, num_procs, var_lims):
     return ps, kwargs_dict
 
 if __name__ == "__main__":
-    num_samples = 10
+    num_samples = 15
     num_procs = 1
     var_lims = {
         "Feed Flow": {
-            "Qin_min": 520 / 3600,  # m3/s
-            "Qin_max": 910 / 3600,  # m3/s
+            "Qin_min": 344 / 3600,  # m3/s
+            "Qin_max": 989 / 3600,  # m3/s
         }
     }
     ps, kwargs_dict = create_parameter_sweep_object(num_samples, num_procs, var_lims)
diff --git a/src/wrd/surrogate_models/energy_surrogate.py b/src/wrd/surrogate_models/energy_surrogate.py
index cc65c9e..68d633d 100644
--- a/src/wrd/surrogate_models/energy_surrogate.py
+++ b/src/wrd/surrogate_models/energy_surrogate.py
@@ -36,15 +36,20 @@
 current_script_path = os.path.abspath(__file__)
 # Get the directory containing the current script
 current_directory = os.path.dirname(current_script_path)
-filename = "ro_sweep_brine_lim.csv"
+filename = "S1_S2_RR_not_equal.csv"
 data_path = os.path.join(current_directory, filename)
 Data = pd.read_csv(data_path)
 # Create PySMO Surrogate Model
 
-input_data = Data.iloc[:,0:1] ## RR,feed flow
-output_data = Data.iloc[:,17] #Check exact colum number for total power
-input_labels = [Data.columns[0], Data.columns[1]]
-output_labels = [Data.columns[17]]#Check exact colum number for total power
+# Find the SEC
+Data['Feed Flow m3/hr'] = Data['Feed Flow'] * 3600
+Data['Total_Permeate_Flow_m3_s'] = Data['Recovery'] * Data['Feed Flow']
+Data['Specific Energy (kWh/m3)'] = Data['Total Power (W)'] / Data['Total_Permeate_Flow_m3_s'] / 3600 / 1000 
+# Pull input and output data
+input_data = Data.iloc[:,[0,-3]] ## RR,feed flow
+output_data = Data.iloc[:,-1] # Specific Energy
+input_labels = [Data.columns[0], Data.columns[-3]]
+output_labels = [Data.columns[-1]]
 
 # Remove the rows with nan values
 Data = Data.dropna(subset=output_labels)
@@ -53,16 +58,15 @@
 assert pd.to_numeric(Data[input_labels[0]], errors="coerce").notnull().all()
 assert pd.to_numeric(Data[output_labels[0]], errors="coerce").notnull().all()
 
-# Scale Data
-Data_Scaled = Data.copy()
+# No need to scale data
+
 # Change this as appropriate
-Data_Scaled[output_labels[0]] = Data[output_labels[0]].mul(1e-5) # Power is in W, scale down
-RRmin = min(Data_Scaled[input_labels[0]])
-RRmax = max(Data_Scaled[input_labels[0]])
-flowmin = min(Data_Scaled[input_labels[1]])
-flowmax = max(Data_Scaled[input_labels[1]])
+RRmin = min(Data[input_labels[0]])
+RRmax = max(Data[input_labels[0]])
+flowmin = min(Data[input_labels[1]])
+flowmax = max(Data[input_labels[1]])
 
-input_bounds = {'Recovery': (RRmin, RRmax), 'Feed Flow': (flowmin, flowmax)}
+input_bounds = {'Recovery': (RRmin, RRmax), 'Feed Flow m3/hr': (flowmin, flowmax)}
 
 # Sample Data
 n_data = output_data.size
@@ -72,7 +76,7 @@
 trainer = PysmoPolyTrainer(
     input_labels=input_labels, 
     output_labels=output_labels,
-    training_dataframe = Data_Scaled
+    training_dataframe = Data
     )
 trainer.config.maximum_polynomial_order = 2
 
@@ -107,7 +111,7 @@
     for j in range(num_points):
         m.recovery.fix(x1_vals[i])
         m.flowrate.fix(x2_vals[j])
-        calculate_variable_from_constraint(m.power, m.surrogate_blk.pysmo_constraint["Total Power (W)"])
+        calculate_variable_from_constraint(m.power, m.surrogate_blk.pysmo_constraint["Specific Energy (kWh/m3)"])
         # m.surrogate_blk.display()
         # results = solver.solve(m, tee=True)
         # m.surrogate_blk.display()
@@ -122,9 +126,9 @@
 ax.plot_surface(X1, X2, y_vals, cmap="viridis", alpha=0.85)
 # ax.scatter(X1.ravel(), X2.ravel(), y_vals.ravel(), c="r", s=12, label="Predicted")
 ax.scatter(
-    Data_Scaled[input_labels[0]],
-    Data_Scaled[input_labels[1]],
-    Data_Scaled[output_labels[0]],
+    Data[input_labels[0]],
+    Data[input_labels[1]],
+    Data[output_labels[0]],
     c="r",
     s=18,
     alpha=0.85,
@@ -132,8 +136,8 @@
 )
 
 ax.set_xlabel("RR")
-ax.set_ylabel("Feed Flowrate (m3/s)")
-ax.set_zlabel("Power (scaled)") # Check units and scaling
+ax.set_ylabel("Feed Flowrate (m3/hr)")
+ax.set_zlabel("Specific Energy (kWh/m3)") # Check units and scaling
 ax.set_title("Train Power Consumption Surrogate")
 ax.legend()
 
@@ -148,15 +152,15 @@
 plt.show()
 
 # Residual plot at actual data points: percent difference = 100 * (surrogate - actual) / actual
-actual_x1 = Data_Scaled[input_labels[0]].to_numpy()
-actual_x2 = Data_Scaled[input_labels[1]].to_numpy()
-actual_z = Data_Scaled[output_labels[0]].to_numpy()
+actual_x1 = Data[input_labels[0]].to_numpy()
+actual_x2 = Data[input_labels[1]].to_numpy()
+actual_z = Data[output_labels[0]].to_numpy()
 predicted_z = np.zeros_like(actual_z, dtype=float)
 
 for k, (x1, x2) in enumerate(zip(actual_x1, actual_x2)):
     m.recovery.fix(x1)
     m.flowrate.fix(x2)
-    calculate_variable_from_constraint(m.power, m.surrogate_blk.pysmo_constraint["Total Power (W)"])
+    calculate_variable_from_constraint(m.power, m.surrogate_blk.pysmo_constraint["Specific Energy (kWh/m3)"])
     predicted_z[k] = m.power.value
 
 denominator = np.where(np.abs(actual_z) > 1e-12, actual_z, np.nan)
@@ -174,13 +178,12 @@
     s=24,
 )
 ax_res.set_xlabel("RR")
-ax_res.set_ylabel("Feed Flowrate (m3/s)")
+ax_res.set_ylabel("Feed Flowrate (m3/hr)")
 ax_res.set_zlabel("Percent Difference (%)")
 ax_res.set_title("Surrogate Percent Difference at Actual Data Points")
 fig_res.colorbar(res_scatter, ax=ax_res, shrink=0.7, label="Percent Difference (%)")
 plt.show()
 
-
 # Save Surrogate
-surr_name = f"ro_power_poly_fit_order_{trainer.config.maximum_polynomial_order}.json"
+surr_name = f"ro_SEC_poly_fit_order_{trainer.config.maximum_polynomial_order}.json"
 Surrogate.save_to_file(os.path.join(current_directory, surr_name), overwrite=True)
\ No newline at end of file
diff --git a/src/wrd/surrogate_models/param_sweep_fxs.py b/src/wrd/surrogate_models/param_sweep_fxs.py
index 3a80618..e80306c 100644
--- a/src/wrd/surrogate_models/param_sweep_fxs.py
+++ b/src/wrd/surrogate_models/param_sweep_fxs.py
@@ -164,7 +164,6 @@ def build_flowsheet(op_limits=None,scenario=None):
     set_ro_train_op_conditions(m.fs.ro_train)
     # Set limits on each stage recovery and flowrate
     for i in m.fs.ro_train.stages:
-
         # m.fs.ro_train.stage[i].feed.properties[0].flow_vol_phase["Liq"].setlb(
         #     op_limits[f"Stage {i}"]["Qin_min"]
         # )
diff --git a/src/wrd/surrogate_models/ro_SEC_poly_fit_order_2.json b/src/wrd/surrogate_models/ro_SEC_poly_fit_order_2.json
new file mode 100644
index 0000000..017b206
--- /dev/null
+++ b/src/wrd/surrogate_models/ro_SEC_poly_fit_order_2.json
@@ -0,0 +1 @@
+{"model_encoding": {"Specific Energy (kWh/m3)": {"attr": {"regression_data_columns": ["Recovery", "Feed Flow m3/hr"], "multinomials": 0, "additional_term_expressions": [], "optimal_weights_array": [[-0.15603878958558656], [0.2929989299515081], [0.00045276687479930966]], "final_polynomial_order": 1, "errors": {"MAE": 0.0011110755998340644, "MSE": 1.6404199777067706e-06, "R2": 0.9953990964540611, "Adjusted R2": 0.995031024170386}, "extra_terms_feature_vector": ["IndexedParam[Recovery]", "IndexedParam[Feed Flow m3/hr]"]}, "map": {"regression_data_columns": "list", "multinomials": "str", "additional_term_expressions": "list", "optimal_weights_array": "numpy", "final_polynomial_order": "str", "errors": "str", "extra_terms_feature_vector": "other"}}}, "input_labels": ["Recovery", "Feed Flow m3/hr"], "output_labels": ["Specific Energy (kWh/m3)"], "input_bounds": {"Recovery": [0.88, 0.925], "Feed Flow m3/hr": [522.0, 633.5999999999999]}, "surrogate_type": "poly"}
\ No newline at end of file
diff --git a/uf_pump_sweep_USED_IN_PT.xlsx b/uf_pump_sweep_USED_IN_PT.xlsx
new file mode 100644
index 0000000000000000000000000000000000000000..6647c793ab4ef1316c6df0c8cc4c760a63f62030
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diff --git a/up_pump_sweep.csv b/up_pump_sweep.csv
index 47a366c..ba01998 100644
--- a/up_pump_sweep.csv
+++ b/up_pump_sweep.csv
@@ -1,11 +1,16 @@
 # Feed Flow,Stage1 Power
-1.444444e-01,8.313173e+04
-1.564815e-01,8.866472e+04
-1.685185e-01,9.470104e+04
-1.805556e-01,1.012567e+05
-1.925926e-01,1.083405e+05
-2.046296e-01,1.159551e+05
-2.166667e-01,1.240976e+05
-2.287037e-01,1.327609e+05
-2.407407e-01,1.419340e+05
-2.527778e-01,1.516030e+05
+9.555556e-02,6.518428e+04
+1.083532e-01,6.927317e+04
+1.211508e-01,7.375655e+04
+1.339484e-01,7.869929e+04
+1.467460e-01,8.415177e+04
+1.595437e-01,9.015183e+04
+1.723413e-01,9.672617e+04
+1.851389e-01,1.038915e+05
+1.979365e-01,1.116556e+05
+2.107341e-01,1.200189e+05
+2.235317e-01,1.289754e+05
+2.363294e-01,1.385138e+05
+2.491270e-01,1.486189e+05
+2.619246e-01,1.592721e+05
+2.747222e-01,1.704522e+05

From 019d4fa49ed20b21459b753294ffe1857d12dbef Mon Sep 17 00:00:00 2001
From: Jake Churchill <jake.churchill@nrel.gov>
Date: Mon, 11 May 2026 15:03:49 -0600
Subject: [PATCH 09/12] black and deleting unneeded files

---
 S1_S2_RR_not_equal.csv                        |  39 ----
 initial_ro_sweep_results.csv                  |  67 ------
 ps_demo.h5                                    | Bin 15480 -> 0 bytes
 ro_sweep_brine_lim.csv                        |  37 ----
 ro_sweep_results.csv                          |   5 -
 src/wrd/components/ro_stage.py                |   4 +-
 .../surrogate_models/energy_param_sweep.py    |  11 +-
 .../energy_param_sweep_pump.py                |   1 +
 src/wrd/surrogate_models/energy_surrogate.py  |  38 ++--
 src/wrd/surrogate_models/param_sweep_fxs.py   | 191 +++++++++++++-----
 .../surrogate_models/param_sweep_fxs_pump.py  |  52 +++--
 .../ro_power_poly_fit_order_2.json            |   1 -
 ...ne_lim.csv => ro_sweep_S1_S2_equal_RR.csv} |   0
 ...al.csv => ro_sweep_S1_S2_not_equal_RR.csv} |   0
 .../uf_pump_sweep_USED_IN_PT.xlsx             | Bin
 sweep_results_limited_range.csv               |  26 ---
 up_pump_sweep.csv                             |  16 --
 17 files changed, 204 insertions(+), 284 deletions(-)
 delete mode 100644 S1_S2_RR_not_equal.csv
 delete mode 100644 initial_ro_sweep_results.csv
 delete mode 100644 ps_demo.h5
 delete mode 100644 ro_sweep_brine_lim.csv
 delete mode 100644 ro_sweep_results.csv
 delete mode 100644 src/wrd/surrogate_models/ro_power_poly_fit_order_2.json
 rename src/wrd/surrogate_models/{ro_sweep_brine_lim.csv => ro_sweep_S1_S2_equal_RR.csv} (100%)
 rename src/wrd/surrogate_models/{S1_S2_RR_not_equal.csv => ro_sweep_S1_S2_not_equal_RR.csv} (100%)
 rename uf_pump_sweep_USED_IN_PT.xlsx => src/wrd/surrogate_models/uf_pump_sweep_USED_IN_PT.xlsx (100%)
 delete mode 100644 sweep_results_limited_range.csv
 delete mode 100644 up_pump_sweep.csv

diff --git a/S1_S2_RR_not_equal.csv b/S1_S2_RR_not_equal.csv
deleted file mode 100644
index d8783e0..0000000
--- a/S1_S2_RR_not_equal.csv
+++ /dev/null
@@ -1,39 +0,0 @@
-Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3),Stage1 Pump Speed (-),Stage2 Pump Speed (-)
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diff --git a/initial_ro_sweep_results.csv b/initial_ro_sweep_results.csv
deleted file mode 100644
index a9519c3..0000000
--- a/initial_ro_sweep_results.csv
+++ /dev/null
@@ -1,67 +0,0 @@
-# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine Flow (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
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-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
-,,,,,,,,,,,,,,,,,,,,,,,,,,
diff --git a/ps_demo.h5 b/ps_demo.h5
deleted file mode 100644
index 798677a6ca44feb9cb6d218bfac31d98e16688c1..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

literal 15480
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znUH%kZ{EJ0`Q4j0GjHZz^6#u)U9_Qyu;g}=LQ-mH@nag&zz)vAGS)u}83#}cXwu0u
z4#NHjSqJ<zpkI`0*;7|Xs3ht~3XhSWTs-GShNLSB0e_vZiFJ5C^tu*k3hWGu#OT-c
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diff --git a/ro_sweep_brine_lim.csv b/ro_sweep_brine_lim.csv
deleted file mode 100644
index 3008e63..0000000
--- a/ro_sweep_brine_lim.csv
+++ /dev/null
@@ -1,37 +0,0 @@
-# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
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-9.160000e-01,1.636667e-01,6.009926e-01,6.009926e-01,4.723832e-01,1.636667e-01,6.530424e-02,2.605693e-02,6.530424e-02,2.605693e-02,1.374814e-02,2.440744e+05,8.910237e+05,7.180369e+05,9.647976e+05,1.048296e+06,8.821977e+05,2.069285e+05,1.844142e+05,1.395925e+04,8.555057e+03,2.104606e-04,2.069205e-04,1.497030e-04,1.237668e-02,2.019418e-02,1.835425e-01
-9.160000e-01,1.698889e-01,6.016887e-01,6.016887e-01,4.705375e-01,1.698889e-01,6.766869e-02,2.695326e-02,6.766869e-02,2.695326e-02,1.427081e-02,2.440744e+05,9.194327e+05,7.457590e+05,9.932066e+05,1.076018e+06,8.950242e+05,2.207917e+05,1.982125e+05,1.453284e+04,8.046366e+03,2.181509e-04,2.140174e-04,1.532993e-04,1.195256e-02,1.956869e-02,1.789260e-01
-9.160000e-01,1.761111e-01,6.024143e-01,6.024143e-01,4.686030e-01,1.761111e-01,7.001928e-02,2.783872e-02,7.001928e-02,2.783872e-02,1.479349e-02,2.440744e+05,9.479434e+05,7.734415e+05,1.021717e+06,1.103700e+06,9.074808e+05,2.351938e+05,2.126161e+05,1.511466e+04,7.462965e+03,2.258692e-04,2.211027e-04,1.567762e-04,1.155787e-02,1.898974e-02,1.746987e-01
-9.250000e-01,1.450000e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
-9.250000e-01,1.512222e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
-9.250000e-01,1.574444e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
-9.250000e-01,1.636667e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
-9.250000e-01,1.698889e-01,6.060862e-01,6.060862e-01,5.166515e-01,1.698889e-01,6.692161e-02,2.636140e-02,6.692161e-02,2.636140e-02,1.274183e-02,2.440744e+05,9.253338e+05,7.459053e+05,9.991077e+05,1.076164e+06,9.533013e+05,2.247383e+05,1.999315e+05,1.387234e+04,1.093450e+04,2.197391e-04,2.137031e-04,1.682468e-04,1.194327e-02,1.998482e-02,1.809572e-01
-9.250000e-01,1.761111e-01,6.068018e-01,6.068018e-01,5.148904e-01,1.761111e-01,6.924659e-02,2.722769e-02,6.924659e-02,2.722769e-02,1.320850e-02,2.440744e+05,9.540337e+05,7.734830e+05,1.027808e+06,1.103742e+06,9.669843e+05,2.393686e+05,2.144254e+05,1.440600e+04,1.053719e+04,2.275087e-04,2.207600e-04,1.720941e-04,1.154929e-02,1.939359e-02,1.765483e-01
diff --git a/ro_sweep_results.csv b/ro_sweep_results.csv
deleted file mode 100644
index 8b9bebb..0000000
--- a/ro_sweep_results.csv
+++ /dev/null
@@ -1,5 +0,0 @@
-# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
-8.800000e-01,1.450000e-01,5.839279e-01,5.839279e-01,3.068222e-01,1.450000e-01,6.033047e-02,2.510187e-02,6.033047e-02,2.510187e-02,1.740008e-02,2.440744e+05,7.888760e+05,6.325741e+05,8.626499e+05,9.628330e+05,6.570158e+05,1.570969e+05,1.418657e+05,1.400423e+04,1.227061e+03,1.828442e-04,1.861573e-04,9.080377e-05,1.391783e-02,2.091097e-02,2.204861e-01
-8.800000e-01,1.761111e-01,5.870788e-01,5.870788e-01,2.962027e-01,1.761111e-01,7.272003e-02,3.002769e-02,7.272003e-02,3.002769e-02,2.113344e-02,2.440744e+05,9.267107e+05,7.729618e+05,1.000485e+06,1.103221e+06,6.991587e+05,2.195914e+05,2.063614e+05,1.766231e+04,-4.432272e+03,2.201534e-04,2.221535e-04,1.022200e-04,1.159825e-02,1.769344e-02,1.954166e-01
-9.300000e-01,1.450000e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
-9.300000e-01,1.761111e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
diff --git a/src/wrd/components/ro_stage.py b/src/wrd/components/ro_stage.py
index d485fc2..5b7d1b9 100644
--- a/src/wrd/components/ro_stage.py
+++ b/src/wrd/components/ro_stage.py
@@ -294,10 +294,10 @@ def run_march_stages():
     # run_august_stages()
     # run_march_stages()
     m = main(
-        Qin=396*.29/.25,  # gpm?
+        Qin=396 * 0.29 / 0.25,  # gpm?
         Cin=2.58,
         Tin=295,
-        Pin= 100 * pyunits.psi,
+        Pin=100 * pyunits.psi,
         stage_num=3,
         file="wrd_inputs_8_19_21.yaml",
     )
diff --git a/src/wrd/surrogate_models/energy_param_sweep.py b/src/wrd/surrogate_models/energy_param_sweep.py
index 147f171..bc01364 100644
--- a/src/wrd/surrogate_models/energy_param_sweep.py
+++ b/src/wrd/surrogate_models/energy_param_sweep.py
@@ -38,7 +38,7 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
         ),  # Store CSV next to this script
         "h5_parent_group_name": None,  # Useful for loop tool
         "update_sweep_params_before_init": False,
-        "initialize_before_sweep": False, #!!!!!!!
+        "initialize_before_sweep": False,  #!!!!!!!
         "reinitialize_function": None,
         "reinitialize_kwargs": {},
         "reinitialize_before_sweep": False,
@@ -54,23 +54,26 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
     ps = ParameterSweep(**kwargs_dict)
     return ps, kwargs_dict
 
+
 if __name__ == "__main__":
     num_samples = 6
     num_procs = 6
     op_limits = {
         # What if instead of recovery bounds, I added a minimum brine flowrate to as the other limit, and then just find out what the recovery limit would be.
         "Stage 1": {
-            "Qout_min": 3*72/3600, # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train
+            "Qout_min": 3
+            * 72
+            / 3600,  # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train
             # "Qin_min": 520 / 3600, # So then what is bounding the recovery exactly?
             # "Qin_max": 635 / 3600, # Based on pump limitation
         },
         "Stage 2": {
-            "Qout_min": 3*30/3600, 
+            "Qout_min": 3 * 30 / 3600,
             # "Qin_min": 200 / 3600,
             # "Qin_max": 251 / 3600, # This came from stage 1 min recovery of 55%
         },
         "Stage 3": {
-            "Qout_min": 3*15/3600, 
+            "Qout_min": 3 * 15 / 3600,
             # "Qin_min": 75 / 3600,
             # "Qin_max": 126 / 3600,
         },
diff --git a/src/wrd/surrogate_models/energy_param_sweep_pump.py b/src/wrd/surrogate_models/energy_param_sweep_pump.py
index 1543344..9d0d8f4 100644
--- a/src/wrd/surrogate_models/energy_param_sweep_pump.py
+++ b/src/wrd/surrogate_models/energy_param_sweep_pump.py
@@ -51,6 +51,7 @@ def create_parameter_sweep_object(num_samples, num_procs, var_lims):
     ps = ParameterSweep(**kwargs_dict)
     return ps, kwargs_dict
 
+
 if __name__ == "__main__":
     num_samples = 15
     num_procs = 1
diff --git a/src/wrd/surrogate_models/energy_surrogate.py b/src/wrd/surrogate_models/energy_surrogate.py
index 68d633d..70226d5 100644
--- a/src/wrd/surrogate_models/energy_surrogate.py
+++ b/src/wrd/surrogate_models/energy_surrogate.py
@@ -42,12 +42,14 @@
 # Create PySMO Surrogate Model
 
 # Find the SEC
-Data['Feed Flow m3/hr'] = Data['Feed Flow'] * 3600
-Data['Total_Permeate_Flow_m3_s'] = Data['Recovery'] * Data['Feed Flow']
-Data['Specific Energy (kWh/m3)'] = Data['Total Power (W)'] / Data['Total_Permeate_Flow_m3_s'] / 3600 / 1000 
+Data["Feed Flow m3/hr"] = Data["Feed Flow"] * 3600
+Data["Total_Permeate_Flow_m3_s"] = Data["Recovery"] * Data["Feed Flow"]
+Data["Specific Energy (kWh/m3)"] = (
+    Data["Total Power (W)"] / Data["Total_Permeate_Flow_m3_s"] / 3600 / 1000
+)
 # Pull input and output data
-input_data = Data.iloc[:,[0,-3]] ## RR,feed flow
-output_data = Data.iloc[:,-1] # Specific Energy
+input_data = Data.iloc[:, [0, -3]]  ## RR,feed flow
+output_data = Data.iloc[:, -1]  # Specific Energy
 input_labels = [Data.columns[0], Data.columns[-3]]
 output_labels = [Data.columns[-1]]
 
@@ -66,7 +68,7 @@
 flowmin = min(Data[input_labels[1]])
 flowmax = max(Data[input_labels[1]])
 
-input_bounds = {'Recovery': (RRmin, RRmax), 'Feed Flow m3/hr': (flowmin, flowmax)}
+input_bounds = {"Recovery": (RRmin, RRmax), "Feed Flow m3/hr": (flowmin, flowmax)}
 
 # Sample Data
 n_data = output_data.size
@@ -74,10 +76,8 @@
 # data_training, data_validation = split_training_validation(Data_Scaled, training_fraction, seed= n_data)
 # Create Surrogate
 trainer = PysmoPolyTrainer(
-    input_labels=input_labels, 
-    output_labels=output_labels,
-    training_dataframe = Data
-    )
+    input_labels=input_labels, output_labels=output_labels, training_dataframe=Data
+)
 trainer.config.maximum_polynomial_order = 2
 
 trained_surr = trainer.train_surrogate()
@@ -92,11 +92,11 @@
 m.surrogate = Surrogate
 m.surrogate_blk.build_model(
     m.surrogate,
-    input_vars=[m.recovery,m.flowrate],
+    input_vars=[m.recovery, m.flowrate],
     output_vars=[m.power],
 )
 m.surrogate_blk.pysmo_constraint.display()  # display()
-#m.surrogate_blk.pysmo_constraint["F_t"].pprint()
+# m.surrogate_blk.pysmo_constraint["F_t"].pprint()
 
 minx1, maxx1 = m.recovery.bounds
 minx2, maxx2 = m.flowrate.bounds
@@ -111,13 +111,15 @@
     for j in range(num_points):
         m.recovery.fix(x1_vals[i])
         m.flowrate.fix(x2_vals[j])
-        calculate_variable_from_constraint(m.power, m.surrogate_blk.pysmo_constraint["Specific Energy (kWh/m3)"])
+        calculate_variable_from_constraint(
+            m.power, m.surrogate_blk.pysmo_constraint["Specific Energy (kWh/m3)"]
+        )
         # m.surrogate_blk.display()
         # results = solver.solve(m, tee=True)
         # m.surrogate_blk.display()
         # print(m.flowrate.value, m.power.value)
         y_vals[i, j] = m.power.value
-    # assert False   
+    # assert False
 
 X1, X2 = np.meshgrid(x1_vals, x2_vals, indexing="ij")
 
@@ -137,7 +139,7 @@
 
 ax.set_xlabel("RR")
 ax.set_ylabel("Feed Flowrate (m3/hr)")
-ax.set_zlabel("Specific Energy (kWh/m3)") # Check units and scaling
+ax.set_zlabel("Specific Energy (kWh/m3)")  # Check units and scaling
 ax.set_title("Train Power Consumption Surrogate")
 ax.legend()
 
@@ -160,7 +162,9 @@
 for k, (x1, x2) in enumerate(zip(actual_x1, actual_x2)):
     m.recovery.fix(x1)
     m.flowrate.fix(x2)
-    calculate_variable_from_constraint(m.power, m.surrogate_blk.pysmo_constraint["Specific Energy (kWh/m3)"])
+    calculate_variable_from_constraint(
+        m.power, m.surrogate_blk.pysmo_constraint["Specific Energy (kWh/m3)"]
+    )
     predicted_z[k] = m.power.value
 
 denominator = np.where(np.abs(actual_z) > 1e-12, actual_z, np.nan)
@@ -186,4 +190,4 @@
 
 # Save Surrogate
 surr_name = f"ro_SEC_poly_fit_order_{trainer.config.maximum_polynomial_order}.json"
-Surrogate.save_to_file(os.path.join(current_directory, surr_name), overwrite=True)
\ No newline at end of file
+Surrogate.save_to_file(os.path.join(current_directory, surr_name), overwrite=True)
diff --git a/src/wrd/surrogate_models/param_sweep_fxs.py b/src/wrd/surrogate_models/param_sweep_fxs.py
index e80306c..fbb67ec 100644
--- a/src/wrd/surrogate_models/param_sweep_fxs.py
+++ b/src/wrd/surrogate_models/param_sweep_fxs.py
@@ -3,7 +3,16 @@
 from wrd.components.ro_stage import initialize_ro_stage
 from wrd.components.ro_train import *
 from models import HeadLoss
-from pyomo.environ import assert_optimal_termination, ConcreteModel, TransformationFactory, units as pyunits, Constraint, value, Objective, minimize
+from pyomo.environ import (
+    assert_optimal_termination,
+    ConcreteModel,
+    TransformationFactory,
+    units as pyunits,
+    Constraint,
+    value,
+    Objective,
+    minimize,
+)
 from pyomo.network import Arc
 from srp.utils import touch_flow_and_conc
 from idaes.models.unit_models import (
@@ -18,15 +27,16 @@
 from wrd.utilities import *
 from idaes.core.util.model_diagnostics import DiagnosticsToolbox
 
+
 # Debugging
 def print_arcs_to_port(model, port, port_name=""):
     """Print all arcs connected to a given port (as source or destination)"""
     from pyomo.network import Arc
-    
+
     print(f"\n{'='*60}")
     print(f"Arcs connected to {port_name or port}:")
     print(f"{'='*60}")
-    
+
     found = False
     for component in model.component_data_objects(Arc, descend_into=True):
         name = component.getname(fully_qualified=True)
@@ -36,7 +46,7 @@ def print_arcs_to_port(model, port, port_name=""):
         elif component.source is port:
             print(f"  → {name}: {port_name or port} → {component.destination}")
             found = True
-    
+
     if not found:
         print(f"  (No arcs found)")
     print()
@@ -79,8 +89,9 @@ def report_ports_with_multiple_arcs(model):
     print()
     return found_issue
 
+
 # Build flowsheet function
-def build_flowsheet(op_limits=None,scenario=None):
+def build_flowsheet(op_limits=None, scenario=None):
     m = ConcreteModel()
     m.fs = FlowsheetBlock(dynamic=False)
     m.fs.properties = NaClParameterBlock()
@@ -114,14 +125,14 @@ def build_flowsheet(op_limits=None,scenario=None):
         source=m.fs.ro_train.disposal.outlet,
         destination=m.fs.brine.inlet,
     )
-    
+
     # Add the pressure drop between PRO and TSRO
     m.fs.ro_train.tsro_header = HeadLoss(property_package=m.fs.properties)
     touch_flow_and_conc(m.fs.ro_train.tsro_header)
     m.fs.ro_train.tsro_header.control_volume.deltaP[0].fix(
         get_config_value(m.fs.ro_train.config_data, "tsro_header_loss", "headers")
     )
-    
+
     # Undo connection between the second and third stage to add in the head loss unit.
     # Deactivate (do not delete) to keep port arc bookkeeping consistent.
     if hasattr(m.fs.ro_train, "stage_2_to_stage_3"):
@@ -153,13 +164,13 @@ def build_flowsheet(op_limits=None,scenario=None):
 
     # Set feed and operational conditions
     m.fs.feed.properties.calculate_state(
-    var_args={
-        ("flow_vol_phase", ("Liq")): 2500 * pyunits.gallons / pyunits.minute,
-        ("conc_mass_phase_comp", ("Liq", "NaCl")): 0.5 * pyunits.g / pyunits.L,
-        ("pressure", None): 35.4 * pyunits.psi,
-        ("temperature", None): 298.15 * pyunits.K,
-    },
-    hold_state=True,
+        var_args={
+            ("flow_vol_phase", ("Liq")): 2500 * pyunits.gallons / pyunits.minute,
+            ("conc_mass_phase_comp", ("Liq", "NaCl")): 0.5 * pyunits.g / pyunits.L,
+            ("pressure", None): 35.4 * pyunits.psi,
+            ("temperature", None): 298.15 * pyunits.K,
+        },
+        hold_state=True,
     )
     set_ro_train_op_conditions(m.fs.ro_train)
     # Set limits on each stage recovery and flowrate
@@ -170,12 +181,15 @@ def build_flowsheet(op_limits=None,scenario=None):
         # m.fs.ro_train.stage[i].feed.properties[0].flow_vol_phase["Liq"].setub(
         #     op_limits[f"Stage {i}"]["Qin_max"]
         # )
-        m.fs.ro_train.stage[i].disposal.properties[0].flow_vol_phase["Liq"].setlb(op_limits[f"Stage {i}"]["Qout_min"])
+        m.fs.ro_train.stage[i].disposal.properties[0].flow_vol_phase["Liq"].setlb(
+            op_limits[f"Stage {i}"]["Qout_min"]
+        )
         # m.fs.ro_train.stage[i].ro.unit.recovery_vol_phase[0, "Liq"].setlb(op_limits[f"Stage {i}"]["RR_min"])
         # m.fs.ro_train.stage[i].ro.unit.recovery_vol_phase[0, "Liq"].setub(op_limits[f"Stage {i}"]["RR_max"])
-    print(degrees_of_freedom(m)) # Should be zero.
+    print(degrees_of_freedom(m))  # Should be zero.
     return m
 
+
 # Build sweep parameters function
 def build_sweep_params(
     m,
@@ -210,9 +224,15 @@ def initialize_model(m):
 
     # Initialize system
     # Changing the default pressure to have a more medium recovery
-    m.fs.ro_train.stage[1].pump.unit.control_volume.properties_out[0].pressure.fix(134 * pyunits.psi)
-    m.fs.ro_train.stage[2].pump.unit.control_volume.properties_out[0].pressure.fix(150 * pyunits.psi)
-    m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].pressure.fix(135 * pyunits.psi) # This value could be increased if another water perm value is used for S3
+    m.fs.ro_train.stage[1].pump.unit.control_volume.properties_out[0].pressure.fix(
+        134 * pyunits.psi
+    )
+    m.fs.ro_train.stage[2].pump.unit.control_volume.properties_out[0].pressure.fix(
+        150 * pyunits.psi
+    )
+    m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].pressure.fix(
+        135 * pyunits.psi
+    )  # This value could be increased if another water perm value is used for S3
     assert degrees_of_freedom(m) == 0
     m.fs.feed.initialize()
     propagate_state(m.fs.feed_to_train)
@@ -228,7 +248,7 @@ def initialize_model(m):
     propagate_state(a)
     blk.tsro_header.initialize()
     a = blk.find_component("tsro_header_to_stage_3")
-    propagate_state(a)   
+    propagate_state(a)
     initialize_ro_stage(blk.stage[3])
     a = blk.find_component("stage_3_to_product")
     propagate_state(a)
@@ -243,11 +263,11 @@ def initialize_model(m):
     print(blk.stage[3].feed.properties[0].flow_vol_phase["Liq"]())
     print(blk.stage[2].pump.unit.control_volume.properties_out[0].pressure())
     print(blk.stage[3].pump.unit.control_volume.properties_out[0].pressure())
-    
+
     propagate_state(m.fs.train_to_product)
     m.fs.product.initialize()
     propagate_state(m.fs.train_to_brine)
-    m.fs.brine.initialize()   
+    m.fs.brine.initialize()
 
     assert degrees_of_freedom(m) == 0
     # --solve---
@@ -256,28 +276,33 @@ def initialize_model(m):
     assert_optimal_termination(results)
     return results
 
+
 # Optimizaiton function
 def optimize(m, solver=None, check_termination=True):
     print(f"Degrees of freedom start of optimize: {degrees_of_freedom(m)}")
     # Fix the mass fraction and unfix the flow mass so that the flow volume can be fixed by param sweep
     m.fs.feed.properties[0].mass_frac_phase_comp["Liq", "NaCl"].fix()
-    m.fs.feed.properties[0].flow_mass_phase_comp['Liq','H2O'].unfix()
-    m.fs.feed.properties[0].flow_mass_phase_comp['Liq','NaCl'].unfix()
+    m.fs.feed.properties[0].flow_mass_phase_comp["Liq", "H2O"].unfix()
+    m.fs.feed.properties[0].flow_mass_phase_comp["Liq", "NaCl"].unfix()
     # Pump outlet pressures unfixed
     m.fs.ro_train.stage[1].pump.unit.control_volume.properties_out[0].pressure.unfix()
     m.fs.ro_train.stage[2].pump.unit.control_volume.properties_out[0].pressure.unfix()
     m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].pressure.unfix()
-    # Reduce DOF by assume S1 and S2 have same recovery, which is about typical from data, but not necessarily optimal... 
+    # Reduce DOF by assume S1 and S2 have same recovery, which is about typical from data, but not necessarily optimal...
     # m.fs.ro_train.eq_recovery = Constraint(
-    #     expr= m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, "Liq"] == m.fs.ro_train.stage[2].ro.unit.recovery_vol_phase[0, "Liq"])   
-    
-    m.fs.obj = Objective(expr= m.fs.ro_train.total_pump_power, sense=minimize) # Dummy objective to trigger solve
+    #     expr= m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, "Liq"] == m.fs.ro_train.stage[2].ro.unit.recovery_vol_phase[0, "Liq"])
 
-    print(f"Degrees of freedom right before solve: {degrees_of_freedom(m)}") # Should be 0
+    m.fs.obj = Objective(
+        expr=m.fs.ro_train.total_pump_power, sense=minimize
+    )  # Dummy objective to trigger solve
+
+    print(
+        f"Degrees of freedom right before solve: {degrees_of_freedom(m)}"
+    )  # Should be 0
     # assert degrees_of_freedom(m) == 0
     # --solve---
     solver = get_solver()
-    results = solver.solve(m, tee = True)
+    results = solver.solve(m, tee=True)
     if assert_optimal_termination(results):
         print("-----FAILED TO OPTIMALLY SOLVE-----")
         print(f"RR = {m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, 'Liq']()}%")
@@ -288,19 +313,33 @@ def optimize(m, solver=None, check_termination=True):
 def build_outputs(m):
     def _pump_unit(stage_blk):
         # Some workflows expose the pump model directly, others nest it under stage.pump.unit
-        return stage_blk.pump.unit if hasattr(stage_blk.pump, "unit") else stage_blk.pump
+        return (
+            stage_blk.pump.unit if hasattr(stage_blk.pump, "unit") else stage_blk.pump
+        )
 
     outputs = {}
     # RR and Flows
     outputs["Stage1 RR"] = m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, "Liq"]
     outputs["Stage2 RR"] = m.fs.ro_train.stage[2].ro.unit.recovery_vol_phase[0, "Liq"]
     outputs["Stage3 RR"] = m.fs.ro_train.stage[3].ro.unit.recovery_vol_phase[0, "Liq"]
-    outputs["Stage1 Qin (m3/s)"] = m.fs.ro_train.stage[1].feed.properties[0].flow_vol_phase["Liq"]
-    outputs["Stage2 Qin (m3/s)"] = m.fs.ro_train.stage[2].feed.properties[0].flow_vol_phase["Liq"]
-    outputs["Stage3 Qin (m3/s)"] = m.fs.ro_train.stage[3].feed.properties[0].flow_vol_phase["Liq"]
-    outputs["Stage1 Brine (m3/s)"] = m.fs.ro_train.stage[1].disposal.properties[0].flow_vol_phase["Liq"]
-    outputs["Stage2 Brine (m3/s)"] = m.fs.ro_train.stage[2].disposal.properties[0].flow_vol_phase["Liq"]
-    outputs["Stage3 Brine (m3/s)"] = m.fs.ro_train.stage[3].disposal.properties[0].flow_vol_phase["Liq"]
+    outputs["Stage1 Qin (m3/s)"] = (
+        m.fs.ro_train.stage[1].feed.properties[0].flow_vol_phase["Liq"]
+    )
+    outputs["Stage2 Qin (m3/s)"] = (
+        m.fs.ro_train.stage[2].feed.properties[0].flow_vol_phase["Liq"]
+    )
+    outputs["Stage3 Qin (m3/s)"] = (
+        m.fs.ro_train.stage[3].feed.properties[0].flow_vol_phase["Liq"]
+    )
+    outputs["Stage1 Brine (m3/s)"] = (
+        m.fs.ro_train.stage[1].disposal.properties[0].flow_vol_phase["Liq"]
+    )
+    outputs["Stage2 Brine (m3/s)"] = (
+        m.fs.ro_train.stage[2].disposal.properties[0].flow_vol_phase["Liq"]
+    )
+    outputs["Stage3 Brine (m3/s)"] = (
+        m.fs.ro_train.stage[3].disposal.properties[0].flow_vol_phase["Liq"]
+    )
 
     pump1 = _pump_unit(m.fs.ro_train.stage[1])
     pump2 = _pump_unit(m.fs.ro_train.stage[2])
@@ -321,24 +360,43 @@ def _pump_unit(stage_blk):
     outputs["Stage3 Power (W)"] = pump3.work_mechanical[0]
 
     # Other
-    outputs["Stage1 First Elem. Prod. (m3/s)"] = m.fs.ro_train.stage[1].ro.unit.first_elem_prod
-    outputs["Stage2 First Elem. Prod. (m3/s)"] = m.fs.ro_train.stage[2].ro.unit.first_elem_prod
-    outputs["Stage3 First Elem. Prod. (m3/s)"] = m.fs.ro_train.stage[3].ro.unit.first_elem_prod
-    outputs["Stage1 Perm. Conc. (kg/m3)"] = m.fs.ro_train.stage[1].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
-    outputs["Stage2 Perm. Conc. (kg/m3)"] = m.fs.ro_train.stage[2].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
-    outputs["Stage3 Perm. Conc. (kg/m3)"] = m.fs.ro_train.stage[3].ro.unit.mixed_permeate[0].conc_mass_phase_comp["Liq", "NaCl"]
+    outputs["Stage1 First Elem. Prod. (m3/s)"] = m.fs.ro_train.stage[
+        1
+    ].ro.unit.first_elem_prod
+    outputs["Stage2 First Elem. Prod. (m3/s)"] = m.fs.ro_train.stage[
+        2
+    ].ro.unit.first_elem_prod
+    outputs["Stage3 First Elem. Prod. (m3/s)"] = m.fs.ro_train.stage[
+        3
+    ].ro.unit.first_elem_prod
+    outputs["Stage1 Perm. Conc. (kg/m3)"] = (
+        m.fs.ro_train.stage[1]
+        .ro.unit.mixed_permeate[0]
+        .conc_mass_phase_comp["Liq", "NaCl"]
+    )
+    outputs["Stage2 Perm. Conc. (kg/m3)"] = (
+        m.fs.ro_train.stage[2]
+        .ro.unit.mixed_permeate[0]
+        .conc_mass_phase_comp["Liq", "NaCl"]
+    )
+    outputs["Stage3 Perm. Conc. (kg/m3)"] = (
+        m.fs.ro_train.stage[3]
+        .ro.unit.mixed_permeate[0]
+        .conc_mass_phase_comp["Liq", "NaCl"]
+    )
     outputs["Stage1 Pump Speed (-)"] = pump1.design_speed_fraction
     outputs["Stage2 Pump Speed (-)"] = pump2.design_speed_fraction
     # outputs["Stage3 Pump Speed (-)"] = pump3.design_speed_fraction # Pump 3 has no speed fraction
 
     return outputs
 
+
 if __name__ == "__main__":
     op_limts = {
         "Stage 1": {
             "RR_min": 0.55,
             "RR_max": 0.62,
-            "Qin_min": 420 / 3600, #m/hr
+            "Qin_min": 420 / 3600,  # m/hr
             "Qin_max": 635 / 3600,
         },
         "Stage 2": {
@@ -354,10 +412,10 @@ def _pump_unit(stage_blk):
             "Qin_max": 126 / 3600,
         },
     }
-    m = build_flowsheet(op_limts=op_limts,scenario=None)
+    m = build_flowsheet(op_limts=op_limts, scenario=None)
     initialize_model(m)
     # Dummy version of fixing value
-    print(f"Degrees of freedom before fixing: {degrees_of_freedom(m)}") # Should be 0
+    print(f"Degrees of freedom before fixing: {degrees_of_freedom(m)}")  # Should be 0
     # Param Sweep will fix these two variables
     m.fs.ro_train.recovery_vol.fix(0.9)
     m.fs.feed.properties[0].flow_vol_phase["Liq"].fix(0.158)
@@ -365,15 +423,46 @@ def _pump_unit(stage_blk):
     print(f"Degrees of freedom after fixing: {degrees_of_freedom(m)}")
     results = optimize(m)
 
-    print(m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].conc_mass_phase_comp["Liq", "NaCl"]())
-    print(value(pyunits.convert(m.fs.ro_train.stage[2].pump.unit.control_volume.properties_out[0].pressure, to_units=pyunits.psi)))
-    print(value(pyunits.convert(m.fs.ro_train.stage[3].pump.unit.control_volume.properties_in[0].pressure, to_units=pyunits.psi)))
-    print(value(pyunits.convert(m.fs.ro_train.stage[3].pump.unit.control_volume.properties_out[0].pressure, to_units=pyunits.psi)))
+    print(
+        m.fs.ro_train.stage[3]
+        .pump.unit.control_volume.properties_out[0]
+        .conc_mass_phase_comp["Liq", "NaCl"]()
+    )
+    print(
+        value(
+            pyunits.convert(
+                m.fs.ro_train.stage[2]
+                .pump.unit.control_volume.properties_out[0]
+                .pressure,
+                to_units=pyunits.psi,
+            )
+        )
+    )
+    print(
+        value(
+            pyunits.convert(
+                m.fs.ro_train.stage[3]
+                .pump.unit.control_volume.properties_in[0]
+                .pressure,
+                to_units=pyunits.psi,
+            )
+        )
+    )
+    print(
+        value(
+            pyunits.convert(
+                m.fs.ro_train.stage[3]
+                .pump.unit.control_volume.properties_out[0]
+                .pressure,
+                to_units=pyunits.psi,
+            )
+        )
+    )
 
     print(m.fs.ro_train.stage[3].feed.properties[0].flow_vol_phase["Liq"]())
     print(m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, "Liq"]())
     print(m.fs.ro_train.stage[2].ro.unit.recovery_vol_phase[0, "Liq"]())
     print(m.fs.ro_train.stage[3].ro.unit.recovery_vol_phase[0, "Liq"]())
-    
+
     dt = DiagnosticsToolbox(m)
     assert_optimal_termination(results)
diff --git a/src/wrd/surrogate_models/param_sweep_fxs_pump.py b/src/wrd/surrogate_models/param_sweep_fxs_pump.py
index 5507478..1cb6fe4 100644
--- a/src/wrd/surrogate_models/param_sweep_fxs_pump.py
+++ b/src/wrd/surrogate_models/param_sweep_fxs_pump.py
@@ -2,7 +2,16 @@
 from parameter_sweep import LinearSample, get_sweep_params_from_yaml
 from wrd.components.detailed_pump import *
 from models import HeadLoss
-from pyomo.environ import assert_optimal_termination, ConcreteModel, TransformationFactory, units as pyunits, Constraint, value, Objective, minimize
+from pyomo.environ import (
+    assert_optimal_termination,
+    ConcreteModel,
+    TransformationFactory,
+    units as pyunits,
+    Constraint,
+    value,
+    Objective,
+    minimize,
+)
 from pyomo.network import Arc
 from srp.utils import touch_flow_and_conc
 from idaes.models.unit_models import (
@@ -19,7 +28,7 @@
 
 
 # Build flowsheet function
-def build_flowsheet(op_limts=None,scenario=None):
+def build_flowsheet(op_limts=None, scenario=None):
     m = ConcreteModel()
     m.fs = FlowsheetBlock(dynamic=False)
     m.fs.properties = NaClParameterBlock()
@@ -57,7 +66,7 @@ def build_flowsheet(op_limts=None,scenario=None):
         "flow_mass_phase_comp", 1e2, index=("Liq", "NaCl")
     )
 
-    add_pump_scaling(m.fs.pump)    
+    add_pump_scaling(m.fs.pump)
     calculate_scaling_factors(m)
 
     # Set feed and operational conditions
@@ -65,20 +74,21 @@ def build_flowsheet(op_limts=None,scenario=None):
     m.fs.pump.unit.control_volume.properties_in[0].pressure.setlb(0)
 
     m.fs.feed.properties.calculate_state(
-    var_args={
-        ("flow_vol_phase", ("Liq")): 3000 * pyunits.gallons / pyunits.minute,
-        ("conc_mass_phase_comp", ("Liq", "NaCl")): 0.5 * pyunits.g / pyunits.L,
-        ("pressure", None): 0.1 * pyunits.psi,
-        ("temperature", None): 298.15 * pyunits.K,
-    },
-    hold_state=True,
+        var_args={
+            ("flow_vol_phase", ("Liq")): 3000 * pyunits.gallons / pyunits.minute,
+            ("conc_mass_phase_comp", ("Liq", "NaCl")): 0.5 * pyunits.g / pyunits.L,
+            ("pressure", None): 0.1 * pyunits.psi,
+            ("temperature", None): 298.15 * pyunits.K,
+        },
+        hold_state=True,
     )
 
     set_pump_op_conditions(m.fs.pump)
-    print(degrees_of_freedom(m)) # Should be zero
+    print(degrees_of_freedom(m))  # Should be zero
 
     return m
 
+
 # Build sweep parameters function
 def build_sweep_params(
     m,
@@ -123,19 +133,22 @@ def initialize_model(m):
     assert_optimal_termination(results)
     return results
 
+
 # Optimizaiton function
 def optimize(m, solver=None, check_termination=True):
     print(f"Degrees of freedom start of optimize: {degrees_of_freedom(m)}")
     # Fix the mass fraction and unfix the flow mass so that the flow volume can be fixed by param sweep
     m.fs.feed.properties[0].mass_frac_phase_comp["Liq", "NaCl"].fix()
-    m.fs.feed.properties[0].flow_mass_phase_comp['Liq','H2O'].unfix()
-    m.fs.feed.properties[0].flow_mass_phase_comp['Liq','NaCl'].unfix()
-    
-    print(f"Degrees of freedom right before solve: {degrees_of_freedom(m)}") # Should be 0
+    m.fs.feed.properties[0].flow_mass_phase_comp["Liq", "H2O"].unfix()
+    m.fs.feed.properties[0].flow_mass_phase_comp["Liq", "NaCl"].unfix()
+
+    print(
+        f"Degrees of freedom right before solve: {degrees_of_freedom(m)}"
+    )  # Should be 0
     assert degrees_of_freedom(m) == 0
     # --solve---
     solver = get_solver()
-    results = solver.solve(m, tee = True)
+    results = solver.solve(m, tee=True)
     # assert_optimal_termination(results)
     return results
 
@@ -145,17 +158,18 @@ def build_outputs(m):
     outputs["Stage1 Power"] = m.fs.pump.unit.work_mechanical[0]
     return outputs
 
+
 if __name__ == "__main__":
     m = build_flowsheet(scenario=None)
     initialize_model(m)
     # Dummy version of fixing value
-    print(f"Degrees of freedom before fixing: {degrees_of_freedom(m)}") # Should be 0
+    print(f"Degrees of freedom before fixing: {degrees_of_freedom(m)}")  # Should be 0
     # Param Sweep will fix these two variables
     m.fs.feed.properties[0].flow_vol_phase["Liq"].fix(0.158)
 
     print(f"Degrees of freedom after fixing: {degrees_of_freedom(m)}")
     results = optimize(m)
-    
+
     dt = DiagnosticsToolbox(m)
     assert_optimal_termination(results)
-    print(m.fs.pump.unit.work_mechanical[0]())
\ No newline at end of file
+    print(m.fs.pump.unit.work_mechanical[0]())
diff --git a/src/wrd/surrogate_models/ro_power_poly_fit_order_2.json b/src/wrd/surrogate_models/ro_power_poly_fit_order_2.json
deleted file mode 100644
index 84a8210..0000000
--- a/src/wrd/surrogate_models/ro_power_poly_fit_order_2.json
+++ /dev/null
@@ -1 +0,0 @@
-{"model_encoding": {"Total Power (W)": {"attr": {"regression_data_columns": ["Recovery", "Feed Flow"], "multinomials": 0, "additional_term_expressions": [], "optimal_weights_array": [[9.197335683012916], [-22.627606870773946], [-5.922856990057125], [14.72411995003637], [82.7066316695091]], "final_polynomial_order": 2, "errors": {"MAE": 0.005591160591864165, "MSE": 4.6028436028154616e-05, "R2": 0.9991455892554374, "Adjusted R2": 0.9990743883600571}, "extra_terms_feature_vector": ["IndexedParam[Recovery]", "IndexedParam[Feed Flow]"]}, "map": {"regression_data_columns": "list", "multinomials": "str", "additional_term_expressions": "list", "optimal_weights_array": "numpy", "final_polynomial_order": "str", "errors": "str", "extra_terms_feature_vector": "other"}}}, "input_labels": ["Recovery", "Feed Flow"], "output_labels": ["Total Power (W)"], "input_bounds": {"Recovery": [0.88, 0.925], "Feed Flow": [0.145, 0.176]}, "surrogate_type": "poly"}
\ No newline at end of file
diff --git a/src/wrd/surrogate_models/ro_sweep_brine_lim.csv b/src/wrd/surrogate_models/ro_sweep_S1_S2_equal_RR.csv
similarity index 100%
rename from src/wrd/surrogate_models/ro_sweep_brine_lim.csv
rename to src/wrd/surrogate_models/ro_sweep_S1_S2_equal_RR.csv
diff --git a/src/wrd/surrogate_models/S1_S2_RR_not_equal.csv b/src/wrd/surrogate_models/ro_sweep_S1_S2_not_equal_RR.csv
similarity index 100%
rename from src/wrd/surrogate_models/S1_S2_RR_not_equal.csv
rename to src/wrd/surrogate_models/ro_sweep_S1_S2_not_equal_RR.csv
diff --git a/uf_pump_sweep_USED_IN_PT.xlsx b/src/wrd/surrogate_models/uf_pump_sweep_USED_IN_PT.xlsx
similarity index 100%
rename from uf_pump_sweep_USED_IN_PT.xlsx
rename to src/wrd/surrogate_models/uf_pump_sweep_USED_IN_PT.xlsx
diff --git a/sweep_results_limited_range.csv b/sweep_results_limited_range.csv
deleted file mode 100644
index 7235fbb..0000000
--- a/sweep_results_limited_range.csv
+++ /dev/null
@@ -1,26 +0,0 @@
-# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3)
-9.000000e-01,1.666667e-01,5.917513e-01,5.917513e-01,4.000000e-01,1.666667e-01,6.804147e-02,2.777789e-02,2.440744e+05,8.921148e+05,7.308501e+05,9.658887e+05,1.061109e+06,8.038824e+05,2.070870e+05,1.873835e+05,1.564610e+04,4.057371e+03,2.107760e-04,2.109365e-04,1.307372e-04,1.219418e-02,1.902126e-02,1.785967e-01
-9.000000e-01,1.690972e-01,5.917513e-01,5.917513e-01,4.000000e-01,1.690972e-01,6.903375e-02,2.818299e-02,2.440744e+05,9.026815e+05,7.417426e+05,9.764554e+05,1.072001e+06,8.092091e+05,2.123890e+05,1.926312e+05,1.595491e+04,3.802816e+03,2.136370e-04,2.137474e-04,1.323312e-04,1.203083e-02,1.876663e-02,1.762795e-01
-9.000000e-01,1.715278e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
-9.000000e-01,1.739583e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
-9.000000e-01,1.763889e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
-9.075000e-01,1.666667e-01,5.973938e-01,5.973938e-01,4.293342e-01,1.666667e-01,6.710106e-02,2.701535e-02,2.440744e+05,8.995337e+05,7.312003e+05,9.733076e+05,1.061459e+06,8.376819e+05,2.100689e+05,1.895060e+05,1.480970e+04,5.753271e+03,2.127725e-04,2.105970e-04,1.383697e-04,1.217814e-02,1.952250e-02,1.818172e-01
-9.075000e-01,1.690972e-01,5.976692e-01,5.976692e-01,4.285526e-01,1.690972e-01,6.803304e-02,2.737184e-02,2.440744e+05,9.105689e+05,7.420615e+05,9.843428e+05,1.072320e+06,8.422178e+05,2.154396e+05,1.949054e+05,1.505125e+04,5.482923e+03,2.157597e-04,2.133781e-04,1.396311e-04,1.201437e-02,1.928583e-02,1.800873e-01
-9.075000e-01,1.715278e-01,5.979489e-01,5.979489e-01,4.277573e-01,1.715278e-01,6.896296e-02,2.772669e-02,2.440744e+05,9.216192e+05,7.529169e+05,9.953931e+05,1.083176e+06,8.466977e+05,2.208915e+05,2.003966e+05,1.529440e+04,5.200464e+03,2.187511e-04,2.161575e-04,1.408747e-04,1.185516e-02,1.905618e-02,1.784167e-01
-9.075000e-01,1.739583e-01,5.992017e-01,5.992017e-01,4.241742e-01,1.739583e-01,6.972222e-02,2.794460e-02,2.440744e+05,9.340125e+05,7.637945e+05,1.007786e+06,1.094053e+06,8.474053e+05,2.264271e+05,2.063704e+05,1.538380e+04,4.672941e+03,2.221041e-04,2.188669e-04,1.406394e-04,1.169799e-02,1.891897e-02,1.790253e-01
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diff --git a/up_pump_sweep.csv b/up_pump_sweep.csv
deleted file mode 100644
index ba01998..0000000
--- a/up_pump_sweep.csv
+++ /dev/null
@@ -1,16 +0,0 @@
-# Feed Flow,Stage1 Power
-9.555556e-02,6.518428e+04
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-2.619246e-01,1.592721e+05
-2.747222e-01,1.704522e+05

From 011442caf5a1e775ca0ff643590e68c5ce823788 Mon Sep 17 00:00:00 2001
From: Jake Churchill <jake.churchill@nrel.gov>
Date: Wed, 13 May 2026 17:42:03 -0600
Subject: [PATCH 10/12] Param sweeps is working and pump efficiency has been
 updated accordingly.

---
 ps_demo.h5                                    | Bin 0 -> 99288 bytes
 src/wrd/components/ro_stage.py                |  30 ++++++++-
 .../surrogate_models/S1_S2_RR_not_equal.csv   |   2 +
 src/wrd/surrogate_models/S1_S2_TEST_POINT.csv |   5 ++
 .../S1_S2_equal_w_S_3_lower_RR_lim.csv        |  39 +++++++++++
 src/wrd/surrogate_models/S3_70_eff_sweep.csv  |  37 ++++++++++
 .../surrogate_models/TEST_POINT_70_eff.csv    |   5 ++
 .../surrogate_models/energy_param_sweep.py    |   6 +-
 .../surrogate_models/higher_stage_3_eff.csv   |  37 ++++++++++
 src/wrd/surrogate_models/param_sweep_fxs.py   |  63 ++++++++++++------
 .../ro_sweep_S1_S2_not_equal_RR.csv           |   2 +-
 .../surrogate_models/stage_3_lower_RR_lim.csv |  40 +++++++++++
 12 files changed, 236 insertions(+), 30 deletions(-)
 create mode 100644 ps_demo.h5
 create mode 100644 src/wrd/surrogate_models/S1_S2_RR_not_equal.csv
 create mode 100644 src/wrd/surrogate_models/S1_S2_TEST_POINT.csv
 create mode 100644 src/wrd/surrogate_models/S1_S2_equal_w_S_3_lower_RR_lim.csv
 create mode 100644 src/wrd/surrogate_models/S3_70_eff_sweep.csv
 create mode 100644 src/wrd/surrogate_models/TEST_POINT_70_eff.csv
 create mode 100644 src/wrd/surrogate_models/higher_stage_3_eff.csv
 create mode 100644 src/wrd/surrogate_models/stage_3_lower_RR_lim.csv

diff --git a/ps_demo.h5 b/ps_demo.h5
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literal 0
HcmV?d00001

diff --git a/src/wrd/components/ro_stage.py b/src/wrd/components/ro_stage.py
index 5b7d1b9..09d299e 100644
--- a/src/wrd/components/ro_stage.py
+++ b/src/wrd/components/ro_stage.py
@@ -3,6 +3,7 @@
     assert_optimal_termination,
     units as pyunits,
     TransformationFactory,
+    value,
 )
 from pyomo.network import Arc
 
@@ -12,6 +13,7 @@
 from idaes.core import FlowsheetBlock
 from idaes.models.unit_models import StateJunction
 from idaes.core.util.scaling import calculate_scaling_factors
+from idaes.core.util.exceptions import InitializationError
 
 from watertap.costing import WaterTAPCosting
 from watertap.core.util.model_diagnostics.infeasible import *
@@ -131,9 +133,9 @@ def build_ro_stage(
     build_ro(blk.ro, stage_num=stage_num, file=file, prop_package=prop_package)
 
     blk.product = StateJunction(property_package=prop_package)
-    touch_flow_and_conc(blk.feed)
+    touch_flow_and_conc(blk.product)
     blk.disposal = StateJunction(property_package=prop_package)
-    touch_flow_and_conc(blk.feed)
+    touch_flow_and_conc(blk.disposal)
 
     # Arcs to connect the unit models
     blk.feed_to_pump = Arc(source=blk.feed.outlet, destination=blk.pump.feed.inlet)
@@ -171,7 +173,29 @@ def initialize_ro_stage(blk):
     propagate_state(blk.ro_to_product)
     blk.product.initialize()
     propagate_state(blk.ro_to_disposal)
-    blk.disposal.initialize()
+    try:
+        blk.disposal.initialize()
+    except InitializationError:
+        ro_disposal_props = blk.ro.disposal.properties[0]
+        try:
+            blk.disposal.initialize(
+                state_args={
+                    "flow_mass_phase_comp": {
+                        ("Liq", "H2O"): value(
+                            ro_disposal_props.flow_mass_phase_comp["Liq", "H2O"]
+                        ),
+                        ("Liq", "NaCl"): value(
+                            ro_disposal_props.flow_mass_phase_comp["Liq", "NaCl"]
+                        ),
+                    },
+                    "temperature": value(ro_disposal_props.temperature),
+                    "pressure": value(ro_disposal_props.pressure),
+                }
+            )
+        except InitializationError:
+            # This state block is a pass-through junction; if initialization fails,
+            # continue with propagated state so the full train can still initialize.
+            pass
 
 
 def report_ro_stage(blk, w=30, add_costing=True):
diff --git a/src/wrd/surrogate_models/S1_S2_RR_not_equal.csv b/src/wrd/surrogate_models/S1_S2_RR_not_equal.csv
new file mode 100644
index 0000000..307839c
--- /dev/null
+++ b/src/wrd/surrogate_models/S1_S2_RR_not_equal.csv
@@ -0,0 +1,2 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3),Stage1 Pump Speed (-),Stage2 Pump Speed (-)
+8.80E-01,1.45E-01,5.58E-01,5.96E-01,3.28E-01,1.45E-01,6.41E-02,2.59E-02,6.41E-02,2.59E-02,1.74E-02,2.44E+05,7.59E+05,6.80E+05,8.33E+05,1.01E+06,6.80E+05,1.56E+05,1.34E+05,2.15E+04,1.25E-08,1.75E-04,2.00E-04,9.95E-05,1.41E-02,1.85E-02,1.99E-01,8.50E-01,1.00E+00
diff --git a/src/wrd/surrogate_models/S1_S2_TEST_POINT.csv b/src/wrd/surrogate_models/S1_S2_TEST_POINT.csv
new file mode 100644
index 0000000..2743b5c
--- /dev/null
+++ b/src/wrd/surrogate_models/S1_S2_TEST_POINT.csv
@@ -0,0 +1,5 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3),Stage1 Pump Speed (-),Stage2 Pump Speed (-)
+8.800000e-01,1.450000e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.800000e-01,1.761111e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.250000e-01,1.450000e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.250000e-01,1.761111e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
diff --git a/src/wrd/surrogate_models/S1_S2_equal_w_S_3_lower_RR_lim.csv b/src/wrd/surrogate_models/S1_S2_equal_w_S_3_lower_RR_lim.csv
new file mode 100644
index 0000000..a08c268
--- /dev/null
+++ b/src/wrd/surrogate_models/S1_S2_equal_w_S_3_lower_RR_lim.csv
@@ -0,0 +1,39 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3),Stage1 Pump Speed (-),Stage2 Pump Speed (-)
+8.80E-01,1.45E-01,5.53E-01,5.53E-01,4.00E-01,1.45E-01,6.48E-02,2.90E-02,6.48E-02,2.90E-02,1.74E-02,2.44E+05,7.53E+05,6.27E+05,8.27E+05,9.57E+05,7.68E+05,1.58E+05,1.33E+05,1.77E+04,8.18E+03,1.73E-04,1.87E-04,1.33E-04,1.41E-02,1.84E-02,1.43E-01,8.46E-01,9.26E-01
+8.80E-01,1.51E-01,5.53E-01,5.53E-01,4.00E-01,1.51E-01,6.76E-02,3.02E-02,6.76E-02,3.02E-02,1.81E-02,2.44E+05,7.78E+05,6.56E+05,8.52E+05,9.86E+05,7.84E+05,1.70E+05,1.44E+05,1.88E+04,7.77E+03,1.80E-04,1.94E-04,1.37E-04,1.35E-02,1.77E-02,1.37E-01,8.67E-01,9.43E-01
+8.80E-01,1.57E-01,5.53E-01,5.53E-01,4.00E-01,1.57E-01,7.04E-02,3.15E-02,7.04E-02,3.15E-02,1.89E-02,2.44E+05,8.04E+05,6.84E+05,8.77E+05,1.01E+06,8.00E+05,1.82E+05,1.55E+05,1.99E+04,7.31E+03,1.87E-04,2.02E-04,1.42E-04,1.30E-02,1.70E-02,1.32E-01,8.88E-01,9.59E-01
+8.80E-01,1.64E-01,5.53E-01,5.53E-01,4.00E-01,1.64E-01,7.32E-02,3.27E-02,7.32E-02,3.27E-02,1.96E-02,2.44E+05,8.29E+05,7.13E+05,9.03E+05,1.04E+06,8.16E+05,1.95E+05,1.67E+05,2.11E+04,6.78E+03,1.94E-04,2.09E-04,1.47E-04,1.26E-02,1.64E-02,1.28E-01,9.09E-01,9.76E-01
+8.80E-01,1.70E-01,5.53E-01,5.53E-01,4.00E-01,1.70E-01,7.60E-02,3.40E-02,7.60E-02,3.40E-02,2.04E-02,2.44E+05,8.54E+05,7.41E+05,9.28E+05,1.07E+06,8.32E+05,2.08E+05,1.80E+05,2.24E+04,6.18E+03,2.01E-04,2.16E-04,1.52E-04,1.21E-02,1.59E-02,1.24E-01,9.30E-01,9.93E-01
+8.80E-01,1.76E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.89E-01,1.45E-01,5.70E-01,5.70E-01,4.00E-01,1.45E-01,6.24E-02,2.68E-02,6.24E-02,2.68E-02,1.61E-02,2.44E+05,7.73E+05,6.30E+05,8.47E+05,9.61E+05,7.61E+05,1.60E+05,1.38E+05,1.56E+04,6.99E+03,1.79E-04,1.87E-04,1.25E-04,1.40E-02,1.97E-02,1.66E-01,8.58E-01,8.89E-01
+8.89E-01,1.51E-01,5.70E-01,5.70E-01,4.00E-01,1.51E-01,6.50E-02,2.80E-02,6.50E-02,2.80E-02,1.68E-02,2.44E+05,7.99E+05,6.59E+05,8.73E+05,9.89E+05,7.76E+05,1.72E+05,1.49E+05,1.65E+04,6.55E+03,1.86E-04,1.94E-04,1.30E-04,1.34E-02,1.89E-02,1.59E-01,8.79E-01,9.04E-01
+8.89E-01,1.57E-01,5.70E-01,5.70E-01,4.00E-01,1.57E-01,6.77E-02,2.91E-02,6.77E-02,2.91E-02,1.75E-02,2.44E+05,8.25E+05,6.87E+05,8.99E+05,1.02E+06,7.91E+05,1.84E+05,1.61E+05,1.75E+04,6.05E+03,1.93E-04,2.01E-04,1.34E-04,1.29E-02,1.82E-02,1.54E-01,9.00E-01,9.18E-01
+8.89E-01,1.64E-01,5.70E-01,5.70E-01,4.00E-01,1.64E-01,7.04E-02,3.03E-02,7.04E-02,3.03E-02,1.82E-02,2.44E+05,8.51E+05,7.15E+05,9.25E+05,1.05E+06,8.06E+05,1.97E+05,1.73E+05,1.85E+04,5.48E+03,2.00E-04,2.08E-04,1.39E-04,1.25E-02,1.76E-02,1.48E-01,9.21E-01,9.33E-01
+8.89E-01,1.70E-01,5.70E-01,5.70E-01,4.00E-01,1.70E-01,7.31E-02,3.14E-02,7.31E-02,3.14E-02,1.89E-02,2.44E+05,8.77E+05,7.43E+05,9.51E+05,1.07E+06,8.20E+05,2.10E+05,1.86E+05,1.95E+04,4.84E+03,2.07E-04,2.16E-04,1.43E-04,1.21E-02,1.70E-02,1.44E-01,9.42E-01,9.49E-01
+8.89E-01,1.76E-01,5.70E-01,5.70E-01,4.00E-01,1.76E-01,7.57E-02,3.26E-02,7.57E-02,3.26E-02,1.95E-02,2.44E+05,9.03E+05,7.72E+05,9.77E+05,1.10E+06,8.35E+05,2.24E+05,1.99E+05,2.06E+04,4.15E+03,2.14E-04,2.23E-04,1.48E-04,1.17E-02,1.64E-02,1.39E-01,9.62E-01,9.65E-01
+8.98E-01,1.45E-01,5.85E-01,5.85E-01,4.08E-01,1.45E-01,6.02E-02,2.50E-02,6.02E-02,2.50E-02,1.48E-02,2.44E+05,7.90E+05,6.33E+05,8.64E+05,9.63E+05,7.66E+05,1.63E+05,1.42E+05,1.39E+04,6.67E+03,1.83E-04,1.86E-04,1.22E-04,1.39E-02,2.10E-02,1.88E-01,8.68E-01,8.55E-01
+8.98E-01,1.51E-01,5.88E-01,5.88E-01,4.00E-01,1.51E-01,6.24E-02,2.57E-02,6.24E-02,2.57E-02,1.54E-02,2.44E+05,8.20E+05,6.61E+05,8.94E+05,9.91E+05,7.70E+05,1.75E+05,1.55E+05,1.43E+04,5.62E+03,1.91E-04,1.93E-04,1.22E-04,1.34E-02,2.04E-02,1.88E-01,8.92E-01,8.60E-01
+8.98E-01,1.57E-01,5.88E-01,5.88E-01,4.00E-01,1.57E-01,6.49E-02,2.68E-02,6.49E-02,2.68E-02,1.61E-02,2.44E+05,8.47E+05,6.89E+05,9.21E+05,1.02E+06,7.84E+05,1.87E+05,1.67E+05,1.51E+04,5.10E+03,1.99E-04,2.00E-04,1.26E-04,1.29E-02,1.97E-02,1.81E-01,9.13E-01,8.73E-01
+8.98E-01,1.64E-01,5.88E-01,5.88E-01,4.00E-01,1.64E-01,6.75E-02,2.78E-02,6.75E-02,2.78E-02,1.67E-02,2.44E+05,8.74E+05,7.17E+05,9.48E+05,1.05E+06,7.98E+05,2.00E+05,1.80E+05,1.59E+04,4.52E+03,2.06E-04,2.08E-04,1.31E-04,1.24E-02,1.90E-02,1.75E-01,9.34E-01,8.86E-01
+8.98E-01,1.70E-01,5.88E-01,5.88E-01,4.00E-01,1.70E-01,7.00E-02,2.89E-02,7.00E-02,2.89E-02,1.73E-02,2.44E+05,9.01E+05,7.45E+05,9.74E+05,1.08E+06,8.12E+05,2.13E+05,1.93E+05,1.67E+04,3.88E+03,2.13E-04,2.15E-04,1.35E-04,1.20E-02,1.83E-02,1.69E-01,9.55E-01,8.99E-01
+8.98E-01,1.76E-01,5.88E-01,5.88E-01,4.00E-01,1.76E-01,7.26E-02,2.99E-02,7.26E-02,2.99E-02,1.80E-02,2.44E+05,9.28E+05,7.73E+05,1.00E+06,1.10E+06,8.26E+05,2.27E+05,2.07E+05,1.76E+04,3.18E+03,2.20E-04,2.22E-04,1.39E-04,1.16E-02,1.77E-02,1.64E-01,9.75E-01,9.13E-01
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+9.07E-01,1.51E-01,5.93E-01,5.93E-01,4.37E-01,1.51E-01,6.15E-02,2.50E-02,6.15E-02,2.50E-02,1.41E-02,2.44E+05,8.27E+05,6.62E+05,9.01E+05,9.92E+05,8.12E+05,1.78E+05,1.57E+05,1.36E+04,7.51E+03,1.93E-04,1.93E-04,1.32E-04,1.33E-02,2.10E-02,1.89E-01,8.96E-01,8.46E-01
+9.07E-01,1.57E-01,5.96E-01,5.96E-01,4.30E-01,1.57E-01,6.36E-02,2.57E-02,6.36E-02,2.57E-02,1.46E-02,2.44E+05,8.58E+05,6.90E+05,9.31E+05,1.02E+06,8.17E+05,1.90E+05,1.70E+05,1.39E+04,6.53E+03,2.01E-04,2.00E-04,1.33E-04,1.28E-02,2.05E-02,1.89E-01,9.19E-01,8.50E-01
+9.07E-01,1.64E-01,5.97E-01,5.97E-01,4.28E-01,1.64E-01,6.60E-02,2.66E-02,6.60E-02,2.66E-02,1.52E-02,2.44E+05,8.86E+05,7.18E+05,9.59E+05,1.05E+06,8.29E+05,2.03E+05,1.83E+05,1.45E+04,5.93E+03,2.09E-04,2.07E-04,1.36E-04,1.24E-02,1.98E-02,1.84E-01,9.40E-01,8.60E-01
+9.07E-01,1.70E-01,5.98E-01,5.98E-01,4.26E-01,1.70E-01,6.84E-02,2.75E-02,6.84E-02,2.75E-02,1.58E-02,2.44E+05,9.14E+05,7.46E+05,9.88E+05,1.08E+06,8.41E+05,2.17E+05,1.97E+05,1.52E+04,5.24E+03,2.17E-04,2.14E-04,1.39E-04,1.20E-02,1.92E-02,1.80E-01,9.62E-01,8.70E-01
+9.07E-01,1.76E-01,5.98E-01,5.98E-01,4.24E-01,1.76E-01,7.08E-02,2.84E-02,7.08E-02,2.84E-02,1.64E-02,2.44E+05,9.42E+05,7.73E+05,1.02E+06,1.10E+06,8.52E+05,2.31E+05,2.11E+05,1.58E+04,4.47E+03,2.24E-04,2.21E-04,1.42E-04,1.16E-02,1.86E-02,1.76E-01,9.83E-01,8.81E-01
+9.16E-01,1.45E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.16E-01,1.51E-01,5.93E-01,5.93E-01,4.92E-01,1.51E-01,6.15E-02,2.50E-02,6.15E-02,2.50E-02,1.27E-02,2.44E+05,8.27E+05,6.62E+05,9.01E+05,9.92E+05,8.76E+05,1.81E+05,1.57E+05,1.36E+04,1.07E+04,1.93E-04,1.93E-04,1.51E-04,1.33E-02,2.10E-02,1.81E-01,8.96E-01,8.46E-01
+9.16E-01,1.57E-01,6.00E-01,6.00E-01,4.74E-01,1.57E-01,6.29E-02,2.51E-02,6.29E-02,2.51E-02,1.32E-02,2.44E+05,8.63E+05,6.90E+05,9.36E+05,1.02E+06,8.69E+05,1.94E+05,1.71E+05,1.34E+04,8.99E+03,2.03E-04,2.00E-04,1.46E-04,1.28E-02,2.09E-02,1.89E-01,9.22E-01,8.39E-01
+9.16E-01,1.64E-01,6.01E-01,6.01E-01,4.72E-01,1.64E-01,6.53E-02,2.61E-02,6.53E-02,2.61E-02,1.37E-02,2.44E+05,8.91E+05,7.18E+05,9.65E+05,1.05E+06,8.82E+05,2.07E+05,1.84E+05,1.40E+04,8.56E+03,2.10E-04,2.07E-04,1.50E-04,1.24E-02,2.02E-02,1.84E-01,9.43E-01,8.48E-01
+9.16E-01,1.70E-01,6.02E-01,6.02E-01,4.71E-01,1.70E-01,6.77E-02,2.70E-02,6.77E-02,2.70E-02,1.43E-02,2.44E+05,9.19E+05,7.46E+05,9.93E+05,1.08E+06,8.95E+05,2.21E+05,1.98E+05,1.45E+04,8.05E+03,2.18E-04,2.14E-04,1.53E-04,1.20E-02,1.96E-02,1.79E-01,9.65E-01,8.58E-01
+9.16E-01,1.76E-01,6.02E-01,6.02E-01,4.69E-01,1.76E-01,7.00E-02,2.78E-02,7.00E-02,2.78E-02,1.48E-02,2.44E+05,9.48E+05,7.73E+05,1.02E+06,1.10E+06,9.07E+05,2.35E+05,2.13E+05,1.51E+04,7.46E+03,2.26E-04,2.21E-04,1.57E-04,1.16E-02,1.90E-02,1.75E-01,9.86E-01,8.68E-01
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+9.25E-01,1.51E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.25E-01,1.57E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.25E-01,1.64E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.25E-01,1.70E-01,6.06E-01,6.06E-01,5.17E-01,1.70E-01,6.69E-02,2.64E-02,6.69E-02,2.64E-02,1.27E-02,2.44E+05,9.25E+05,7.46E+05,9.99E+05,1.08E+06,9.53E+05,2.25E+05,2.00E+05,1.39E+04,1.09E+04,2.20E-04,2.14E-04,1.68E-04,1.19E-02,2.00E-02,1.81E-01,9.68E-01,8.44E-01
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+,,,,,,,,,,,,,,,,,,,,,,,,,,,,
+,,,,,,,,,,,,,,,,,,,,,,,,,,,,
diff --git a/src/wrd/surrogate_models/S3_70_eff_sweep.csv b/src/wrd/surrogate_models/S3_70_eff_sweep.csv
new file mode 100644
index 0000000..3ef80f6
--- /dev/null
+++ b/src/wrd/surrogate_models/S3_70_eff_sweep.csv
@@ -0,0 +1,37 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3),Stage1 Pump Speed (-),Stage2 Pump Speed (-)
+8.800000e-01,1.450000e-01,5.508229e-01,5.817919e-01,3.611899e-01,1.450000e-01,6.513070e-02,2.723822e-02,6.513070e-02,2.723822e-02,1.740008e-02,2.440744e+05,7.509181e+05,6.696486e+05,8.246921e+05,9.999074e+05,7.182780e+05,1.555499e+05,1.320267e+05,2.163091e+04,1.892257e+03,1.726392e-04,1.977884e-04,1.138768e-04,1.410356e-02,1.802065e-02,1.704346e-01,8.446948e-01,1.000000e+00
+8.800000e-01,1.512222e-01,5.545718e-01,5.814392e-01,3.563562e-01,1.512222e-01,6.735866e-02,2.819373e-02,6.735866e-02,2.819373e-02,1.814675e-02,2.440744e+05,7.805598e+05,6.944262e+05,8.543337e+05,1.024685e+06,7.260645e+05,1.673229e+05,1.441443e+05,2.190433e+04,1.274289e+03,1.806546e-04,2.039691e-04,1.157516e-04,1.353444e-02,1.761666e-02,1.678519e-01,8.684654e-01,1.000000e+00
+8.800000e-01,1.574444e-01,5.581586e-01,5.811649e-01,3.515562e-01,1.574444e-01,6.956549e-02,2.913651e-02,6.956549e-02,2.913651e-02,1.889343e-02,2.440744e+05,8.103440e+05,7.190256e+05,8.841179e+05,1.049284e+06,7.334058e+05,1.796224e+05,1.568635e+05,2.216030e+04,5.985536e+02,1.887096e-04,2.101098e-04,1.174987e-04,1.301158e-02,1.723879e-02,1.655412e-01,8.919756e-01,1.000000e+00
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+8.800000e-01,1.698889e-01,5.623893e-01,5.755461e-01,3.539540e-01,1.698889e-01,7.434521e-02,3.155616e-02,7.434521e-02,3.155616e-02,2.038677e-02,2.440744e+05,8.669874e+05,7.631134e+05,9.407613e+05,1.093372e+06,7.631134e+05,2.058707e+05,1.832196e+05,2.265107e+04,6.100719e-08,2.040356e-04,2.212651e-04,1.266402e-04,1.209637e-02,1.639333e-02,1.528201e-01,9.365050e-01,1.000000e+00
+8.800000e-01,1.761111e-01,5.636421e-01,5.712069e-01,3.586558e-01,1.761111e-01,7.684750e-02,3.295172e-02,7.684750e-02,3.295172e-02,2.113344e-02,2.440744e+05,8.944108e+05,7.832002e+05,9.681847e+05,1.113459e+06,7.832002e+05,2.198719e+05,1.970073e+05,2.286457e+04,3.459176e-08,2.114580e-04,2.263963e-04,1.331372e-04,1.169104e-02,1.596604e-02,1.446963e-01,9.579627e-01,1.000000e+00
+8.890000e-01,1.450000e-01,5.534431e-01,5.868091e-01,3.984162e-01,1.450000e-01,6.475076e-02,2.675446e-02,6.475076e-02,2.675446e-02,1.609509e-02,2.440744e+05,7.539113e+05,6.734366e+05,8.276852e+05,1.003695e+06,7.587658e+05,1.576366e+05,1.327921e+05,2.158307e+04,3.261341e+03,1.734440e-04,1.985933e-04,1.244696e-04,1.408556e-02,1.820248e-02,1.669023e-01,8.465160e-01,1.000000e+00
+8.890000e-01,1.512222e-01,5.571683e-01,5.865223e-01,3.937763e-01,1.512222e-01,6.696601e-02,2.768899e-02,6.696601e-02,2.768899e-02,1.678576e-02,2.440744e+05,7.836473e+05,6.983989e+05,8.574212e+05,1.028658e+06,7.677376e+05,1.695548e+05,1.449548e+05,2.185730e+04,2.742741e+03,1.814849e-04,2.048197e-04,1.266839e-04,1.351816e-02,1.779385e-02,1.641302e-01,8.702856e-01,1.000000e+00
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+8.890000e-01,1.636667e-01,5.641470e-01,5.861597e-01,3.846093e-01,1.636667e-01,7.133462e-02,2.952118e-02,7.133462e-02,2.952118e-02,1.816710e-02,2.440744e+05,8.435372e+05,7.477897e+05,9.173111e+05,1.078049e+06,7.843843e+05,1.949949e+05,1.710983e+05,2.235322e+04,1.543310e+03,1.976830e-04,2.171523e-04,1.307417e-04,1.251626e-02,1.705336e-02,1.593526e-01,9.170638e-01,1.000000e+00
+8.890000e-01,1.698889e-01,5.674245e-01,5.860407e-01,3.801250e-01,1.698889e-01,7.348979e-02,3.042183e-02,7.348979e-02,3.042183e-02,1.885778e-02,2.440744e+05,8.736799e+05,7.721934e+05,9.474538e+05,1.102452e+06,7.921542e+05,2.085422e+05,1.851038e+05,2.257084e+04,8.674934e+02,2.058369e-04,2.232516e-04,1.326175e-04,1.207184e-02,1.671664e-02,1.572644e-01,9.401149e-01,1.000000e+00
+8.890000e-01,1.761111e-01,5.705734e-01,5.859375e-01,3.757353e-01,1.761111e-01,7.562682e-02,3.131428e-02,7.562682e-02,3.131428e-02,1.954845e-02,2.440744e+05,9.039457e+05,7.963850e+05,9.777196e+05,1.126644e+06,7.996214e+05,2.226579e+05,1.997481e+05,2.276501e+04,1.447785e+02,2.140249e-04,2.293013e-04,1.344136e-04,1.165967e-02,1.639945e-02,1.553280e-01,9.629646e-01,1.000000e+00
+8.980000e-01,1.450000e-01,5.561837e-01,5.920716e-01,4.366039e-01,1.450000e-01,6.435337e-02,2.625161e-02,6.435337e-02,2.625161e-02,1.479010e-02,2.440744e+05,7.570439e+05,6.773895e+05,8.308178e+05,1.007648e+06,8.007454e+05,1.597540e+05,1.335952e+05,2.153264e+04,4.626131e+03,1.742861e-04,1.994304e-04,1.353748e-04,1.406735e-02,1.839893e-02,1.653243e-01,8.484189e-01,1.000000e+00
+8.980000e-01,1.512222e-01,5.598819e-01,5.918501e-01,4.321781e-01,1.512222e-01,6.655565e-02,2.716472e-02,6.655565e-02,2.716472e-02,1.542477e-02,2.440744e+05,7.868761e+05,7.025406e+05,8.606500e+05,1.032799e+06,8.109002e+05,1.718172e+05,1.458044e+05,2.180766e+04,4.205083e+03,1.823533e-04,2.057034e-04,1.379269e-04,1.350172e-02,1.798524e-02,1.623721e-01,8.721861e-01,1.000000e+00
+8.980000e-01,1.574444e-01,5.634196e-01,5.917064e-01,4.277784e-01,1.574444e-01,6.873718e-02,2.806499e-02,6.873718e-02,2.806499e-02,1.605944e-02,2.440744e+05,8.168481e+05,7.275225e+05,8.906221e+05,1.057781e+06,8.206033e+05,1.844143e+05,1.586160e+05,2.206638e+04,3.731876e+03,1.904593e-04,2.119388e-04,1.403484e-04,1.298200e-02,1.759835e-02,1.596929e-01,8.956914e-01,1.000000e+00
+8.980000e-01,1.636667e-01,5.668098e-01,5.916181e-01,4.234248e-01,1.636667e-01,7.089882e-02,2.895384e-02,7.089882e-02,2.895384e-02,1.669411e-02,2.440744e+05,8.469548e+05,7.523233e+05,9.207287e+05,1.082582e+06,8.299004e+05,1.975581e+05,1.720423e+05,2.230698e+04,3.208792e+03,1.986026e-04,2.181333e-04,1.426550e-04,1.250284e-02,1.723565e-02,1.572436e-01,9.189577e-01,1.000000e+00
+8.980000e-01,1.698889e-01,5.700635e-01,5.915650e-01,4.191368e-01,1.698889e-01,7.304145e-02,2.983273e-02,7.304145e-02,2.983273e-02,1.732879e-02,2.440744e+05,8.771904e+05,7.769308e+05,9.509643e+05,1.107190e+06,8.388378e+05,2.112614e+05,1.860956e+05,2.252740e+04,2.638365e+03,2.067817e-04,2.242832e-04,1.448627e-04,1.205970e-02,1.689484e-02,1.549863e-01,9.420049e-01,1.000000e+00
+8.980000e-01,1.761111e-01,5.731898e-01,5.915288e-01,4.149341e-01,1.761111e-01,7.516604e-02,3.070321e-02,7.516604e-02,3.070321e-02,1.796346e-02,2.440744e+05,9.075487e+05,8.013320e+05,9.813226e+05,1.131591e+06,8.474638e+05,2.255370e+05,2.007883e+05,2.272528e+04,2.023422e+03,2.149948e-04,2.303851e-04,1.469879e-04,1.164869e-02,1.657382e-02,1.528869e-01,9.648504e-01,1.000000e+00
+9.070000e-01,1.450000e-01,5.590509e-01,5.975924e-01,4.758817e-01,1.450000e-01,6.393763e-02,2.572903e-02,6.393763e-02,2.572903e-02,1.348511e-02,2.440744e+05,7.603233e+05,6.815152e+05,8.340972e+05,1.011774e+06,8.447886e+05,1.619187e+05,1.344380e+05,2.147948e+04,6.001237e+03,1.751678e-04,2.003007e-04,1.467336e-04,1.404896e-02,1.861160e-02,1.656316e-01,8.504077e-01,1.000000e+00
+9.070000e-01,1.512222e-01,5.627179e-01,5.974338e-01,4.716946e-01,1.512222e-01,6.612678e-02,2.662045e-02,6.612678e-02,2.662045e-02,1.406378e-02,2.440744e+05,7.902527e+05,7.068581e+05,8.640266e+05,1.037117e+06,8.561305e+05,1.741271e+05,1.466952e+05,2.175526e+04,5.676713e+03,1.832614e-04,2.066212e-04,1.496237e-04,1.348517e-02,1.819227e-02,1.624903e-01,8.741704e-01,1.000000e+00
+9.070000e-01,1.574444e-01,5.662259e-01,5.973534e-01,4.675285e-01,1.574444e-01,6.829533e-02,2.749893e-02,6.829533e-02,2.749893e-02,1.464245e-02,2.440744e+05,8.203209e+05,7.320366e+05,8.940948e+05,1.062295e+06,8.670163e+05,1.868730e+05,1.595551e+05,2.201533e+04,5.302568e+03,1.913935e-04,2.129055e-04,1.523813e-04,1.296709e-02,1.780018e-02,1.596292e-01,8.976709e-01,1.000000e+00
+9.070000e-01,1.636667e-01,5.695879e-01,5.973290e-01,4.634019e-01,1.636667e-01,7.044413e-02,2.836586e-02,7.044413e-02,2.836586e-02,1.522113e-02,2.440744e+05,8.505227e+05,7.570393e+05,9.242966e+05,1.087298e+06,8.774905e+05,2.001692e+05,1.730302e+05,2.225794e+04,4.881002e+03,1.995627e-04,2.191501e-04,1.550218e-04,1.248939e-02,1.743265e-02,1.570052e-01,9.209320e-01,1.000000e+00
+9.070000e-01,1.698889e-01,5.728148e-01,5.973407e-01,4.593328e-01,1.698889e-01,7.257404e-02,2.922266e-02,7.257404e-02,2.922266e-02,1.579980e-02,2.440744e+05,8.808526e+05,7.818542e+05,9.546265e+05,1.112113e+06,8.875980e+05,2.140284e+05,1.871328e+05,2.248114e+04,4.414447e+03,2.077674e-04,2.253517e-04,1.575607e-04,1.204757e-02,1.708735e-02,1.545807e-01,9.439738e-01,1.000000e+00
+9.070000e-01,1.761111e-01,5.759157e-01,5.973705e-01,4.553392e-01,1.761111e-01,7.468599e-02,3.007083e-02,7.468599e-02,3.007083e-02,1.637847e-02,2.440744e+05,9.113046e+05,8.064689e+05,9.850785e+05,1.136728e+06,8.973852e+05,2.284635e+05,2.018752e+05,2.268268e+04,3.905613e+03,2.160059e-04,2.315068e-04,1.600142e-04,1.163775e-02,1.676215e-02,1.523223e-01,9.668138e-01,1.000000e+00
+9.160000e-01,1.450000e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.160000e-01,1.512222e-01,5.656942e-01,6.033093e-01,5.124346e-01,1.512222e-01,6.567670e-02,2.605338e-02,6.567670e-02,2.605338e-02,1.270280e-02,2.440744e+05,7.937988e+05,7.113770e+05,8.675727e+05,1.041636e+06,9.041775e+05,1.765086e+05,1.476330e+05,2.169973e+04,7.175863e+03,1.842150e-04,2.075781e-04,1.619566e-04,1.346849e-02,1.841757e-02,1.645811e-01,8.762508e-01,1.000000e+00
+9.160000e-01,1.574444e-01,5.691675e-01,6.032884e-01,5.085298e-01,1.574444e-01,6.783220e-02,2.690987e-02,6.783220e-02,2.690987e-02,1.322547e-02,2.440744e+05,8.239634e+05,7.367547e+05,8.977373e+05,1.067014e+06,9.162540e+05,1.894042e+05,1.605426e+05,2.196114e+04,6.900433e+03,1.923733e-04,2.139120e-04,1.650519e-04,1.295210e-02,1.801961e-02,1.615160e-01,8.997439e-01,1.000000e+00
+9.160000e-01,1.636667e-01,5.724967e-01,6.033246e-01,5.046573e-01,1.636667e-01,6.996806e-02,2.775466e-02,6.996806e-02,2.775466e-02,1.374814e-02,2.440744e+05,8.542608e+05,7.619620e+05,9.280347e+05,1.092221e+06,9.279129e+05,2.028535e+05,1.740679e+05,2.220576e+04,6.579873e+03,2.005685e-04,2.202076e-04,1.680275e-04,1.247592e-02,1.764668e-02,1.586994e-01,9.229975e-01,1.000000e+00
+9.160000e-01,1.698889e-01,5.756926e-01,6.033983e-01,5.008336e-01,1.698889e-01,7.208514e-02,2.858914e-02,7.208514e-02,2.858914e-02,1.427081e-02,2.440744e+05,8.846856e+05,7.869874e+05,9.584595e+05,1.117246e+06,9.391979e+05,2.168694e+05,1.882211e+05,2.243173e+04,6.216526e+03,2.087990e-04,2.264617e-04,1.708987e-04,1.203546e-02,1.729636e-02,1.560932e-01,9.460317e-01,1.000000e+00
+9.160000e-01,1.761111e-01,5.787643e-01,6.034916e-01,4.970753e-01,1.761111e-01,7.418432e-02,2.941476e-02,7.418432e-02,2.941476e-02,1.479349e-02,2.440744e+05,9.152321e+05,8.118186e+05,9.890060e+05,1.142077e+06,9.501537e+05,2.314646e+05,2.030147e+05,2.263691e+04,5.812991e+03,2.170633e-04,2.326708e-04,1.736812e-04,1.162686e-02,1.696651e-02,1.536637e-01,9.688641e-01,1.000000e+00
+9.250000e-01,1.450000e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.250000e-01,1.512222e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.250000e-01,1.574444e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.250000e-01,1.636667e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.250000e-01,1.698889e-01,5.787254e-01,6.097985e-01,5.437441e-01,1.698889e-01,7.156990e-02,2.792674e-02,7.156990e-02,2.792674e-02,1.274183e-02,2.440744e+05,8.887279e+05,7.923786e+05,9.625018e+05,1.122637e+06,9.947065e+05,2.198223e+05,1.893718e+05,2.237855e+04,8.071941e+03,2.098870e-04,2.276230e-04,1.851356e-04,1.202333e-02,1.752545e-02,1.597760e-01,9.481986e-01,1.000000e+00
+9.250000e-01,1.761111e-01,5.817625e-01,6.099508e-01,5.402514e-01,1.761111e-01,7.365629e-02,2.872963e-02,7.365629e-02,2.872963e-02,1.320850e-02,2.440744e+05,9.193687e+05,8.174291e+05,9.931426e+05,1.147688e+06,1.006842e+06,2.345792e+05,2.042179e+05,2.258740e+04,7.773928e+03,2.181769e-04,2.338871e-04,1.882494e-04,1.161600e-02,1.719030e-02,1.571458e-01,9.710205e-01,1.000000e+00
diff --git a/src/wrd/surrogate_models/TEST_POINT_70_eff.csv b/src/wrd/surrogate_models/TEST_POINT_70_eff.csv
new file mode 100644
index 0000000..2b707ee
--- /dev/null
+++ b/src/wrd/surrogate_models/TEST_POINT_70_eff.csv
@@ -0,0 +1,5 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3),Stage1 Pump Speed (-),Stage2 Pump Speed (-)
+8.800000e-01,1.450000e-01,5.508229e-01,5.817919e-01,3.611899e-01,1.450000e-01,6.513070e-02,2.723822e-02,6.513070e-02,2.723822e-02,1.740008e-02,2.440744e+05,7.509181e+05,6.696486e+05,8.246921e+05,9.999074e+05,7.182780e+05,1.555499e+05,1.320267e+05,2.163091e+04,1.892257e+03,1.726392e-04,1.977884e-04,1.138768e-04,1.410356e-02,1.802065e-02,1.704346e-01,8.446948e-01,1.000000e+00
+8.800000e-01,1.761111e-01,5.680647e-01,5.805917e-01,3.375912e-01,1.761111e-01,7.606863e-02,3.190387e-02,7.606863e-02,3.190387e-02,2.113344e-02,2.440744e+05,9.004930e+05,7.916263e+05,9.742669e+05,1.121885e+06,7.532503e+05,2.198066e+05,1.987536e+05,2.280203e+04,-1.749060e+03,2.130954e-04,2.282555e-04,1.221392e-04,1.167064e-02,1.623791e-02,1.598079e-01,9.611553e-01,1.000000e+00
+9.250000e-01,1.450000e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.250000e-01,1.761111e-01,5.817625e-01,6.099508e-01,5.402514e-01,1.761111e-01,7.365629e-02,2.872963e-02,7.365629e-02,2.872963e-02,1.320850e-02,2.440744e+05,9.193687e+05,8.174291e+05,9.931426e+05,1.147688e+06,1.006842e+06,2.345792e+05,2.042179e+05,2.258740e+04,7.773928e+03,2.181769e-04,2.338871e-04,1.882494e-04,1.161600e-02,1.719030e-02,1.571458e-01,9.710205e-01,1.000000e+00
diff --git a/src/wrd/surrogate_models/energy_param_sweep.py b/src/wrd/surrogate_models/energy_param_sweep.py
index bc01364..8525575 100644
--- a/src/wrd/surrogate_models/energy_param_sweep.py
+++ b/src/wrd/surrogate_models/energy_param_sweep.py
@@ -34,7 +34,7 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
         "number_of_subprocesses": num_procs,
         # Additional useful keyword arguments
         "csv_results_file_name": str(
-            Path(__file__).resolve().parent / "S1_S2_RR_not_equal.csv"
+            Path(__file__).resolve().parent / "S3_70_eff_sweep.csv"
         ),  # Store CSV next to this script
         "h5_parent_group_name": None,  # Useful for loop tool
         "update_sweep_params_before_init": False,
@@ -61,9 +61,7 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
     op_limits = {
         # What if instead of recovery bounds, I added a minimum brine flowrate to as the other limit, and then just find out what the recovery limit would be.
         "Stage 1": {
-            "Qout_min": 3
-            * 72
-            / 3600,  # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train
+            "Qout_min": 3 * 72 / 3600,  # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train            / 3600,  # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train
             # "Qin_min": 520 / 3600, # So then what is bounding the recovery exactly?
             # "Qin_max": 635 / 3600, # Based on pump limitation
         },
diff --git a/src/wrd/surrogate_models/higher_stage_3_eff.csv b/src/wrd/surrogate_models/higher_stage_3_eff.csv
new file mode 100644
index 0000000..6a456c1
--- /dev/null
+++ b/src/wrd/surrogate_models/higher_stage_3_eff.csv
@@ -0,0 +1,37 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3),Stage1 Pump Speed (-),Stage2 Pump Speed (-)
+8.800000e-01,1.450000e-01,5.417842e-01,5.646033e-01,3.985124e-01,1.450000e-01,6.644131e-02,2.892836e-02,6.644131e-02,2.892836e-02,1.740008e-02,2.440744e+05,7.406068e+05,6.565154e+05,8.143807e+05,9.867743e+05,7.660453e+05,1.551574e+05,1.294037e+05,2.179303e+04,3.960650e+03,1.698670e-04,1.949768e-04,1.317693e-04,1.417007e-02,1.743575e-02,1.435834e-01,8.383987e-01,1.000000e+00
+8.800000e-01,1.512222e-01,5.457763e-01,5.643370e-01,3.935968e-01,1.512222e-01,6.868873e-02,2.992517e-02,6.868873e-02,2.992517e-02,1.814676e-02,2.440744e+05,7.701142e+05,6.808958e+05,8.438881e+05,1.011155e+06,7.751067e+05,1.670007e+05,1.414165e+05,2.206011e+04,3.524096e+03,1.778454e-04,2.010515e-04,1.340326e-04,1.359360e-02,1.705682e-02,1.413680e-01,8.622872e-01,1.000000e+00
+8.800000e-01,1.574444e-01,5.495914e-01,5.641391e-01,3.887383e-01,1.574444e-01,7.091435e-02,3.090883e-02,7.091435e-02,3.090883e-02,1.889343e-02,2.440744e+05,7.997686e+05,7.050903e+05,8.735425e+05,1.035349e+06,7.837120e+05,1.793776e+05,1.540320e+05,2.230796e+04,3.037632e+03,1.858646e-04,2.070843e-04,1.361657e-04,1.306431e-02,1.670193e-02,1.393650e-01,8.859109e-01,1.000000e+00
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+9.250000e-01,1.512222e-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
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diff --git a/src/wrd/surrogate_models/param_sweep_fxs.py b/src/wrd/surrogate_models/param_sweep_fxs.py
index fbb67ec..6f98061 100644
--- a/src/wrd/surrogate_models/param_sweep_fxs.py
+++ b/src/wrd/surrogate_models/param_sweep_fxs.py
@@ -152,6 +152,14 @@ def build_flowsheet(op_limits=None, scenario=None):
 
     TransformationFactory("network.expand_arcs").apply_to(m)
 
+    # Below are a few different options to address the issue of negative 3rd stage power
+    # Add a lower bound on the stage 3 pump work
+    m.fs.ro_train.stage[3].pump.unit.work_mechanical[0].setlb(0)
+    # Increase the pump efficiency so stage 2 isn't so heavily favored
+    m.fs.ro_train.stage[3].pump.unit.efficiency_pump.fix(0.7)
+    #Provide a lower bound on the third stage recovery
+    # m.fs.ro_train.stage[3].ro.unit.recovery_vol_phase[0,'Liq'].setlb(.5)
+
     m.fs.properties.set_default_scaling(
         "flow_mass_phase_comp", 1e-1, index=("Liq", "H2O")  # changed from 1
     )
@@ -241,11 +249,15 @@ def initialize_model(m):
     a = blk.find_component("feed_to_stage_1")
     propagate_state(a)
     initialize_ro_stage(blk.stage[1])
+    a = blk.find_component("stage_1_to_product")
+    propagate_state(a)
     a = blk.find_component("stage_1_to_stage_2")
     propagate_state(a)
     initialize_ro_stage(blk.stage[2])
     a = blk.find_component("stage_2_to_tsro_header")
     propagate_state(a)
+    a = blk.find_component("stage_2_to_product")
+    propagate_state(a)
     blk.tsro_header.initialize()
     a = blk.find_component("tsro_header_to_stage_3")
     propagate_state(a)
@@ -254,8 +266,8 @@ def initialize_model(m):
     propagate_state(a)
     a = blk.find_component("stage_3_to_brine")
     propagate_state(a)
-    a = blk.find_component("stage_3_to_product")
-    propagate_state(a)
+    # a = blk.find_component("stage_3_to_product")
+    # propagate_state(a)
     blk.mixer.initialize()
     propagate_state(blk.mixer_to_product)
     blk.product.initialize()
@@ -292,6 +304,8 @@ def optimize(m, solver=None, check_termination=True):
     # m.fs.ro_train.eq_recovery = Constraint(
     #     expr= m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, "Liq"] == m.fs.ro_train.stage[2].ro.unit.recovery_vol_phase[0, "Liq"])
 
+
+
     m.fs.obj = Objective(
         expr=m.fs.ro_train.total_pump_power, sense=minimize
     )  # Dummy objective to trigger solve
@@ -302,11 +316,17 @@ def optimize(m, solver=None, check_termination=True):
     # assert degrees_of_freedom(m) == 0
     # --solve---
     solver = get_solver()
-    results = solver.solve(m, tee=True)
-    if assert_optimal_termination(results):
-        print("-----FAILED TO OPTIMALLY SOLVE-----")
+    try:
+        results = solver.solve(m, tee=True)
+        assert_optimal_termination(results)
+    except Exception as e:
+        print("-----FAILED TO SOLVE-----")
+        print(f"Exception: {e}")
         print(f"RR = {m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, 'Liq']()}%")
         print(f"Qin = {m.fs.feed.properties[0].flow_vol_phase['Liq']()}")
+        dt = DiagnosticsToolbox(m)
+        dt.report_numerical_issues()
+        dt.display_constraints_with_large_residuals()
     return results
 
 
@@ -392,34 +412,33 @@ def _pump_unit(stage_blk):
 
 
 if __name__ == "__main__":
-    op_limts = {
+    op_limits = {
+        # What if instead of recovery bounds, I added a minimum brine flowrate to as the other limit, and then just find out what the recovery limit would be.
         "Stage 1": {
-            "RR_min": 0.55,
-            "RR_max": 0.62,
-            "Qin_min": 420 / 3600,  # m/hr
-            "Qin_max": 635 / 3600,
+            "Qout_min": 3 * 72 / 3600,  # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train
+            # "Qin_min": 520 / 3600, # So then what is bounding the recovery exactly?
+            # "Qin_max": 635 / 3600, # Based on pump limitation
         },
         "Stage 2": {
-            "RR_min": 0.55,
-            "RR_max": 0.62,
-            "Qin_min": 200 / 3600,
-            "Qin_max": 251 / 3600,
+            "Qout_min": 3 * 30 / 3600,
+            # "Qin_min": 200 / 3600,
+            # "Qin_max": 251 / 3600, # This came from stage 1 min recovery of 55%
         },
         "Stage 3": {
-            "RR_min": 0.40,
-            "RR_max": 0.55,
-            "Qin_min": 75 / 3600,
-            "Qin_max": 126 / 3600,
+            "Qout_min": 3 * 15 / 3600,
+            # "Qin_min": 75 / 3600,
+            # "Qin_max": 126 / 3600,
         },
     }
-    m = build_flowsheet(op_limts=op_limts, scenario=None)
+
+    m = build_flowsheet(op_limits=op_limits, scenario=None)
     initialize_model(m)
     # Dummy version of fixing value
     print(f"Degrees of freedom before fixing: {degrees_of_freedom(m)}")  # Should be 0
     # Param Sweep will fix these two variables
-    m.fs.ro_train.recovery_vol.fix(0.9)
-    m.fs.feed.properties[0].flow_vol_phase["Liq"].fix(0.158)
-
+    m.fs.ro_train.recovery_vol.fix(0.925)
+    m.fs.feed.properties[0].flow_vol_phase["Liq"].fix(0.145)
+    # m.fs.ro_train.stage[3].ro.unit.recovery_flow_vol[0,'Liq'].setlb(.5)
     print(f"Degrees of freedom after fixing: {degrees_of_freedom(m)}")
     results = optimize(m)
 
diff --git a/src/wrd/surrogate_models/ro_sweep_S1_S2_not_equal_RR.csv b/src/wrd/surrogate_models/ro_sweep_S1_S2_not_equal_RR.csv
index d88eadc..c7020fb 100644
--- a/src/wrd/surrogate_models/ro_sweep_S1_S2_not_equal_RR.csv
+++ b/src/wrd/surrogate_models/ro_sweep_S1_S2_not_equal_RR.csv
@@ -37,7 +37,7 @@ Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m
 9.25E-01,1.76E-01,5.99E-01,6.46E-01,4.72E-01,1.76E-01,7.07E-02,2.50E-02,7.07E-02,2.50E-02,1.32E-02,2.44E+05,9.43E+05,8.49E+05,1.02E+06,1.18E+06,9.09E+05,2.36E+05,2.11E+05,2.23E+04,3.00E+03,2.24E-04,2.41E-04,1.48E-04,1.16E-02,1.86E-02,2.15E-01,9.83E-01,1.00E+00
 ,,,,,,,,,,,,,,,,,,,,,,,,,,,,
 Upper lim,,,,,,,,,,,,,,,,,,,,,,,,,,,,
-RR,0.88,0.889,,,,,,,,,,,,,,,,,,,,,,,,,,
+RR,0.88,0.889,,,,,,,3.00E+00,,,,,,,,,,,,,,,,,,,
 Flow,0.164,0.164,,,,,,,,,,,,,,,,,,,,,,,,,,
 Flow,590.4,590.4,,,,,,,,,,,,,,,,,,,,,,,,,,
 Lower lim,,,,,,,,,,,,,,,,,,,,,,,,,,,,
diff --git a/src/wrd/surrogate_models/stage_3_lower_RR_lim.csv b/src/wrd/surrogate_models/stage_3_lower_RR_lim.csv
new file mode 100644
index 0000000..1a995b6
--- /dev/null
+++ b/src/wrd/surrogate_models/stage_3_lower_RR_lim.csv
@@ -0,0 +1,40 @@
+# Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3),Stage1 Pump Speed (-),Stage2 Pump Speed (-)
+8.80E-01,1.45E-01,5.41E-01,5.64E-01,4.00E-01,1.45E-01,6.65E-02,2.90E-02,6.65E-02,2.90E-02,1.74E-02,2.44E+05,7.40E+05,6.56E+05,8.14E+05,9.86E+05,7.68E+05,1.58E+05,1.29E+05,2.18E+04,6.50E+03,1.70E-04,1.95E-04,1.33E-04,1.42E-02,1.74E-02,1.43E-01,8.38E-01,1.00E+00
+8.80E-01,1.51E-01,6.03E-01,4.85E-01,4.12E-01,1.51E-01,6.00E-02,3.09E-02,6.00E-02,3.09E-02,1.81E-02,2.44E+05,8.39E+05,5.08E+05,9.13E+05,8.39E+05,8.02E+05,1.78E+05,1.60E+05,4.13E-08,1.81E+04,1.96E-04,1.53E-04,1.44E-04,1.33E-02,2.33E-02,1.30E-01,9.02E-01,5.07E-01
+8.80E-01,1.57E-01,5.47E-01,5.59E-01,4.00E-01,1.57E-01,7.14E-02,3.15E-02,7.14E-02,3.15E-02,1.89E-02,2.44E+05,7.96E+05,7.01E+05,8.70E+05,1.03E+06,8.00E+05,1.82E+05,1.53E+05,2.24E+04,6.27E+03,1.85E-04,2.06E-04,1.42E-04,1.31E-02,1.65E-02,1.32E-01,8.84E-01,1.00E+00
+8.80E-01,1.64E-01,6.04E-01,4.95E-01,4.00E-01,1.64E-01,6.48E-02,3.27E-02,6.48E-02,3.27E-02,1.96E-02,2.44E+05,8.95E+05,5.65E+05,9.69E+05,8.95E+05,8.16E+05,2.02E+05,1.86E+05,1.84E-08,1.64E+04,2.12E-04,1.68E-04,1.47E-04,1.24E-02,2.16E-02,1.28E-01,9.45E-01,5.47E-01
+8.80E-01,1.70E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.80E-01,1.76E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.89E-01,1.45E-01,5.53E-01,5.86E-01,4.00E-01,1.45E-01,6.48E-02,2.68E-02,6.48E-02,2.68E-02,1.61E-02,2.44E+05,7.53E+05,6.73E+05,8.27E+05,1.00E+06,7.61E+05,1.59E+05,1.33E+05,2.16E+04,4.71E+03,1.73E-04,1.98E-04,1.25E-04,1.41E-02,1.82E-02,1.66E-01,8.46E-01,1.00E+00
+8.89E-01,1.51E-01,6.03E-01,4.85E-01,4.56E-01,1.51E-01,6.00E-02,3.09E-02,6.00E-02,3.09E-02,1.68E-02,2.44E+05,8.39E+05,5.08E+05,9.13E+05,8.39E+05,8.57E+05,1.81E+05,1.60E+05,4.65E-08,2.15E+04,1.96E-04,1.53E-04,1.60E-04,1.33E-02,2.33E-02,1.23E-01,9.02E-01,5.07E-01
+8.89E-01,1.57E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+8.89E-01,1.64E-01,5.61E-01,5.79E-01,4.00E-01,1.64E-01,7.19E-02,3.03E-02,7.19E-02,3.03E-02,1.82E-02,2.44E+05,8.39E+05,7.42E+05,9.13E+05,1.07E+06,8.06E+05,1.96E+05,1.70E+05,2.24E+04,3.87E+03,1.96E-04,2.16E-04,1.39E-04,1.25E-02,1.68E-02,1.49E-01,9.15E-01,1.00E+00
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+9.07E-01,1.70E-01,5.86E-01,6.25E-01,4.00E-01,1.70E-01,7.03E-02,2.63E-02,7.03E-02,2.63E-02,1.58E-02,2.44E+05,8.99E+05,8.05E+05,9.72E+05,1.14E+06,8.08E+05,2.15E+05,1.92E+05,2.22E+04,1.52E+02,2.13E-04,2.30E-04,1.26E-04,1.20E-02,1.81E-02,2.02E-01,9.53E-01,1.00E+00
+9.07E-01,1.76E-01,6.22E-01,5.35E-01,4.70E-01,1.76E-01,6.65E-02,3.09E-02,6.65E-02,3.09E-02,1.64E-02,2.44E+05,9.76E+05,6.45E+05,1.05E+06,9.76E+05,9.21E+05,2.38E+05,2.21E+05,2.64E-08,1.70E+04,2.33E-04,1.87E-04,1.69E-04,1.15E-02,2.15E-02,1.42E-01,1.00E+00,5.62E-01
+9.16E-01,1.45E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.16E-01,1.51E-01,6.03E-01,4.85E-01,5.89E-01,1.51E-01,6.00E-02,3.09E-02,6.00E-02,3.09E-02,1.27E-02,2.44E+05,8.39E+05,5.08E+05,9.13E+05,8.39E+05,1.03E+06,1.92E+05,1.60E+05,7.90E-08,3.24E+04,1.96E-04,1.53E-04,2.13E-04,1.33E-02,2.33E-02,1.15E-01,9.02E-01,5.07E-01
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+9.16E-01,1.64E-01,6.33E-01,5.48E-01,4.93E-01,1.64E-01,6.00E-02,2.71E-02,6.00E-02,2.71E-02,1.37E-02,2.44E+05,9.33E+05,6.03E+05,1.01E+06,9.33E+05,9.10E+05,2.13E+05,1.97E+05,2.53E-08,1.66E+04,2.22E-04,1.75E-04,1.61E-04,1.23E-02,2.42E-02,1.67E-01,9.66E-01,5.07E-01
+9.16E-01,1.70E-01,6.45E-01,5.75E-01,4.42E-01,1.70E-01,6.02E-02,2.56E-02,6.02E-02,2.56E-02,1.43E-02,2.44E+05,9.78E+05,6.48E+05,1.05E+06,9.78E+05,8.58E+05,2.26E+05,2.16E+05,1.97E-08,1.07E+04,2.34E-04,1.85E-04,1.38E-04,1.19E-02,2.47E-02,2.03E-01,9.95E-01,5.09E-01
+9.16E-01,1.76E-01,5.97E-01,6.43E-01,4.17E-01,1.76E-01,7.10E-02,2.54E-02,7.10E-02,2.54E-02,1.48E-02,2.44E+05,9.40E+05,8.45E+05,1.01E+06,1.18E+06,8.41E+05,2.32E+05,2.10E+05,2.23E+04,-2.00E+02,2.24E-04,2.40E-04,1.30E-04,1.16E-02,1.85E-02,2.20E-01,9.82E-01,1.00E+00
+9.25E-01,1.45E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
+9.25E-01,1.51E-01,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan,nan
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+,,,,,,,,,,,,,,,,,,,,,,,,,,,,
+,,,,,,,,,,,,,,,,,,,,,,,,,,,,
+,,,,,,,,,,,,,,,,,,,,,,,,,,,,

From 1291413174bac1a841d60e1345c3df06c2b2100a Mon Sep 17 00:00:00 2001
From: Jake Churchill <jake.churchill@nrel.gov>
Date: Wed, 13 May 2026 23:05:27 -0600
Subject: [PATCH 11/12] Created new surrogate

---
 ps_demo.h5                                    | Bin 99288 -> 99288 bytes
 solution.pickle                               | Bin 4701 -> 4859 bytes
 .../surrogate_models/energy_param_sweep.py    |   4 +-
 src/wrd/surrogate_models/energy_surrogate.py  |   2 +-
 .../ro_SEC_poly_fit_order_2.json              |   2 +-
 .../surrogate_models/ro_sweep_USED_IN_PT.csv  |  37 ++++++++++++++++++
 6 files changed, 41 insertions(+), 4 deletions(-)
 create mode 100644 src/wrd/surrogate_models/ro_sweep_USED_IN_PT.csv

diff --git a/ps_demo.h5 b/ps_demo.h5
index 2b475cda4f8b934f997ffa350ad19e73e62eaa77..b706b57b44df2b7b15a49ae1c8c2489e30b4c465 100644
GIT binary patch
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diff --git a/solution.pickle b/solution.pickle
index b373fa23032064ecc1287c115937d5e3e3d77d32..89b908fa8d69d134ccbe4dae047b1640a6d71711 100644
GIT binary patch
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diff --git a/src/wrd/surrogate_models/energy_param_sweep.py b/src/wrd/surrogate_models/energy_param_sweep.py
index 8525575..56a2c04 100644
--- a/src/wrd/surrogate_models/energy_param_sweep.py
+++ b/src/wrd/surrogate_models/energy_param_sweep.py
@@ -34,7 +34,7 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
         "number_of_subprocesses": num_procs,
         # Additional useful keyword arguments
         "csv_results_file_name": str(
-            Path(__file__).resolve().parent / "S3_70_eff_sweep.csv"
+            Path(__file__).resolve().parent / "ro_sweep_USED_IN_PT.csv"
         ),  # Store CSV next to this script
         "h5_parent_group_name": None,  # Useful for loop tool
         "update_sweep_params_before_init": False,
@@ -78,7 +78,7 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
     }
 
     var_lims = {
-        "RR_lb": 0.88,
+        "RR_lb": 0.89,
         "RR_ub": 0.925,
         "Qin_lb": 522 / 3600,  # m3/s
         "Qin_ub": 634 / 3600,  # m3/s
diff --git a/src/wrd/surrogate_models/energy_surrogate.py b/src/wrd/surrogate_models/energy_surrogate.py
index 70226d5..5c6d839 100644
--- a/src/wrd/surrogate_models/energy_surrogate.py
+++ b/src/wrd/surrogate_models/energy_surrogate.py
@@ -36,7 +36,7 @@
 current_script_path = os.path.abspath(__file__)
 # Get the directory containing the current script
 current_directory = os.path.dirname(current_script_path)
-filename = "S1_S2_RR_not_equal.csv"
+filename = "ro_sweep_USED_IN_PT.csv"
 data_path = os.path.join(current_directory, filename)
 Data = pd.read_csv(data_path)
 # Create PySMO Surrogate Model
diff --git a/src/wrd/surrogate_models/ro_SEC_poly_fit_order_2.json b/src/wrd/surrogate_models/ro_SEC_poly_fit_order_2.json
index 017b206..a38edaf 100644
--- a/src/wrd/surrogate_models/ro_SEC_poly_fit_order_2.json
+++ b/src/wrd/surrogate_models/ro_SEC_poly_fit_order_2.json
@@ -1 +1 @@
-{"model_encoding": {"Specific Energy (kWh/m3)": {"attr": {"regression_data_columns": ["Recovery", "Feed Flow m3/hr"], "multinomials": 0, "additional_term_expressions": [], "optimal_weights_array": [[-0.15603878958558656], [0.2929989299515081], [0.00045276687479930966]], "final_polynomial_order": 1, "errors": {"MAE": 0.0011110755998340644, "MSE": 1.6404199777067706e-06, "R2": 0.9953990964540611, "Adjusted R2": 0.995031024170386}, "extra_terms_feature_vector": ["IndexedParam[Recovery]", "IndexedParam[Feed Flow m3/hr]"]}, "map": {"regression_data_columns": "list", "multinomials": "str", "additional_term_expressions": "list", "optimal_weights_array": "numpy", "final_polynomial_order": "str", "errors": "str", "extra_terms_feature_vector": "other"}}}, "input_labels": ["Recovery", "Feed Flow m3/hr"], "output_labels": ["Specific Energy (kWh/m3)"], "input_bounds": {"Recovery": [0.88, 0.925], "Feed Flow m3/hr": [522.0, 633.5999999999999]}, "surrogate_type": "poly"}
\ No newline at end of file
+{"model_encoding": {"Specific Energy (kWh/m3)": {"attr": {"regression_data_columns": ["Recovery", "Feed Flow m3/hr"], "multinomials": 0, "additional_term_expressions": [], "optimal_weights_array": [[1.080618912479761], [-2.086603969763891], [0.0001003505970372659], [1.2303167646070627], [3.3152576815742574e-07]], "final_polynomial_order": 2, "errors": {"MAE": 0.0009197560005649659, "MSE": 1.2710884382965812e-06, "R2": 0.9964607773407249, "Adjusted R2": 0.9958945017152409}, "extra_terms_feature_vector": ["IndexedParam[Recovery]", "IndexedParam[Feed Flow m3/hr]"]}, "map": {"regression_data_columns": "list", "multinomials": "str", "additional_term_expressions": "list", "optimal_weights_array": "numpy", "final_polynomial_order": "str", "errors": "str", "extra_terms_feature_vector": "other"}}}, "input_labels": ["Recovery", "Feed Flow m3/hr"], "output_labels": ["Specific Energy (kWh/m3)"], "input_bounds": {"Recovery": [0.89, 0.925], "Feed Flow m3/hr": [522.0, 633.5999999999999]}, "surrogate_type": "poly"}
\ No newline at end of file
diff --git a/src/wrd/surrogate_models/ro_sweep_USED_IN_PT.csv b/src/wrd/surrogate_models/ro_sweep_USED_IN_PT.csv
new file mode 100644
index 0000000..4e07540
--- /dev/null
+++ b/src/wrd/surrogate_models/ro_sweep_USED_IN_PT.csv
@@ -0,0 +1,37 @@
+Recovery,Feed Flow,Stage1 RR,Stage2 RR,Stage3 RR,Stage1 Qin (m3/s),Stage2 Qin (m3/s),Stage3 Qin (m3/s),Stage1 Brine (m3/s),Stage2 Brine (m3/s),Stage3 Brine (m3/s),Stage1 Pin (Pa),Stage2 Pin (Pa),Stage3 Pin (Pa),Stage1 Pout (Pa),Stage2 Pout (Pa),Stage3 Pout (Pa),Total Power (W),Stage1 Power (W),Stage2 Power (W),Stage3 Power (W),Stage1 First Elem. Prod. (m3/s),Stage2 First Elem. Prod. (m3/s),Stage3 First Elem. Prod. (m3/s),Stage1 Perm. Conc. (kg/m3),Stage2 Perm. Conc. (kg/m3),Stage3 Perm. Conc. (kg/m3),Stage1 Pump Speed (-),Stage2 Pump Speed (-)
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From f6a21a4df8c85f10c7c8c678248755c260d140ea Mon Sep 17 00:00:00 2001
From: Jake Churchill <jake.churchill@nrel.gov>
Date: Tue, 19 May 2026 11:13:27 -0600
Subject: [PATCH 12/12] black .

---
 src/wrd/surrogate_models/energy_param_sweep.py | 4 +++-
 src/wrd/surrogate_models/param_sweep_fxs.py    | 8 ++++----
 2 files changed, 7 insertions(+), 5 deletions(-)

diff --git a/src/wrd/surrogate_models/energy_param_sweep.py b/src/wrd/surrogate_models/energy_param_sweep.py
index 56a2c04..4d6f3ce 100644
--- a/src/wrd/surrogate_models/energy_param_sweep.py
+++ b/src/wrd/surrogate_models/energy_param_sweep.py
@@ -61,7 +61,9 @@ def create_parameter_sweep_object(num_samples, num_procs, op_limits, var_lims):
     op_limits = {
         # What if instead of recovery bounds, I added a minimum brine flowrate to as the other limit, and then just find out what the recovery limit would be.
         "Stage 1": {
-            "Qout_min": 3 * 72 / 3600,  # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train            / 3600,  # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train
+            "Qout_min": 3
+            * 72
+            / 3600,  # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train            / 3600,  # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train
             # "Qin_min": 520 / 3600, # So then what is bounding the recovery exactly?
             # "Qin_max": 635 / 3600, # Based on pump limitation
         },
diff --git a/src/wrd/surrogate_models/param_sweep_fxs.py b/src/wrd/surrogate_models/param_sweep_fxs.py
index 6f98061..893ce8d 100644
--- a/src/wrd/surrogate_models/param_sweep_fxs.py
+++ b/src/wrd/surrogate_models/param_sweep_fxs.py
@@ -157,7 +157,7 @@ def build_flowsheet(op_limits=None, scenario=None):
     m.fs.ro_train.stage[3].pump.unit.work_mechanical[0].setlb(0)
     # Increase the pump efficiency so stage 2 isn't so heavily favored
     m.fs.ro_train.stage[3].pump.unit.efficiency_pump.fix(0.7)
-    #Provide a lower bound on the third stage recovery
+    # Provide a lower bound on the third stage recovery
     # m.fs.ro_train.stage[3].ro.unit.recovery_vol_phase[0,'Liq'].setlb(.5)
 
     m.fs.properties.set_default_scaling(
@@ -304,8 +304,6 @@ def optimize(m, solver=None, check_termination=True):
     # m.fs.ro_train.eq_recovery = Constraint(
     #     expr= m.fs.ro_train.stage[1].ro.unit.recovery_vol_phase[0, "Liq"] == m.fs.ro_train.stage[2].ro.unit.recovery_vol_phase[0, "Liq"])
 
-
-
     m.fs.obj = Objective(
         expr=m.fs.ro_train.total_pump_power, sense=minimize
     )  # Dummy objective to trigger solve
@@ -415,7 +413,9 @@ def _pump_unit(stage_blk):
     op_limits = {
         # What if instead of recovery bounds, I added a minimum brine flowrate to as the other limit, and then just find out what the recovery limit would be.
         "Stage 1": {
-            "Qout_min": 3 * 72 / 3600,  # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train
+            "Qout_min": 3
+            * 72
+            / 3600,  # This limits will bound the flowrate for a given recovery.  Equal to 3 m3/hr * 72 Pressure Vessels per train
             # "Qin_min": 520 / 3600, # So then what is bounding the recovery exactly?
             # "Qin_max": 635 / 3600, # Based on pump limitation
         },