Merge pull request #200 from thermotools/fix_cp

Fix cp correlation identifiers.

Author: morteham

addon/cppExamples/CMakeLists.txt

@@ -9,7 +9,7 @@
 # before running cmake, in order to force compilation for arm64.
 
 project(cppExamples)
-cmake_minimum_required(VERSION 3.2)
+cmake_minimum_required(VERSION 3.20)
 
 string(ASCII 27 Esc)
 set(ColourRed "${Esc}[31m")

docs/vCurrent/Component-name-mapping.md

@@ -8,7 +8,7 @@ permalink: /vcurrent/Component-name-mapping.html
 
 <!---
 This is an auto-generated file, written by the module at addon/pyUtils/compdatadb.py
-Generated at : 2024-02-19T15:48:32.012730
+Generated at : 2025-09-12T11:47:50.087083
 This is the same module that is used to generate the Fortran
 component database files.
 --->
@@ -105,7 +105,7 @@ You may have to scroll right to view the whole table.
 | Trichlorofluoromethane | 75-69-4 | R11 |   |   |   |
 | Trifluoroamine oxide | 13847-65-9 | F3NO |   |   |   |
 | Trifluoromethane | 75-46-7 | R23 |   |   |   |
-| Water | 7732-18 | H2O | &#10004; | &#10004; | &#10004; |
+| Water | 7732-18-5 | H2O | &#10004; | &#10004; | &#10004; |
 | Xenon | 7440-63-3 | XE | &#10004; |   |   |
 | m-Xylene | 108-38-3 | MXYL |   |   |   |
 | n-Butane | 106-97-8 | NC4 | &#10004; | &#10004; | &#10004; |

fluids/Hydrogen.json

@@ -47,7 +47,7 @@
   "ideal_heat_capacity-1": {
     "ref": "MEOS/Default",
     "bib_reference": "Leachman (2009), DOI: 10.1063/1.3160306",
-    "correlation": 13,
+    "correlation": 12,
     "cp": [
       2.5,
       1.616,

fluids/HydrogenPeroxide.json

@@ -46,7 +46,7 @@
   "ideal_heat_capacity-1": {
     "ref": "Default",
     "bib_reference": "https://webbook.nist.gov",
-    "correlation": 12,
+    "correlation": 11,
     "cp": [
       34.25667,
       55.18445,

fluids/Krypton.json

@@ -46,7 +46,7 @@
   "ideal_heat_capacity-1": {
     "ref": "Default",
     "bib_reference": "NIST-Chase1998",
-    "correlation": 12,
+    "correlation": 11,
     "cp": [
       20.78603,
       4.850638e-10,

fluids/OrthoHydrogen.json

@@ -48,7 +48,7 @@
   "ideal_heat_capacity-1": {
     "ref": "MEOS/Default",
     "bib_reference": "Leachman (2009), DOI: 10.1063/1.3160306",
-    "correlation": 13,
+    "correlation": 12,
     "cp": [
       2.5,
       2.54151,

fluids/ParaHydrogen.json

@@ -48,7 +48,7 @@
   "ideal_heat_capacity-1": {
     "ref": "MEOS/Default",
     "bib_reference": "Leachman (2009), DOI: 10.1063/1.3160306",
-    "correlation": 13,
+    "correlation": 12,
     "cp": [
       2.5,
       4.30256,

src/compdatadb.f90

@@ -1,6 +1,6 @@
 !> Automatically generated to file compdatadb.f90
 !! using utility python code pyUtils
-!! Time stamp: 2024-10-28T15:26:42.069790
+!! Time stamp: 2025-09-12T11:47:50.071313
 
 module compdatadb
   use compdata, only: gendatadb, cpdata, alphadatadb, cidatadb, CPAdata
@@ -2473,7 +2473,7 @@ module compdatadb
       cpdata(cid = "H2", &
       ref = "MEOS/Default", &
       bib_ref = "Leachman (2009), DOI: 10.1063/1.3160306", &
-      cptype = 13, &
+      cptype = 12, &
       cp = (/2.50000000e+00,1.61600000e+00,5.31000000e+02,-4.11700000e-01,7.51000000e+02, &
       -7.92000000e-01,1.98900000e+03,7.58000000e-01,2.48400000e+03,1.21700000e+00, &
       6.85900000e+03,0.0d0,0.0d0,0.0d0,0.0d0, &
@@ -2580,7 +2580,7 @@ module compdatadb
       cpdata(cid = "H2O2", &
       ref = "Default", &
       bib_ref = "https://webbook.nist.gov", &
-      cptype = 12, &
+      cptype = 11, &
       cp = (/3.42566700e+01,5.51844500e+01,-3.51544300e+01,9.08744000e+00,-4.22157000e-01, &
       0.00000000e+00,0.00000000e+00,0.00000000e+00,0.00000000e+00,0.00000000e+00, &
       0.0d0,0.0d0,0.0d0,0.0d0,0.0d0, &
@@ -2961,7 +2961,7 @@ module compdatadb
       cpdata(cid = "KR", &
       ref = "Default", &
       bib_ref = "NIST-Chase1998", &
-      cptype = 12, &
+      cptype = 11, &
       cp = (/2.07860300e+01,4.85063800e-10,-1.58291600e-10,1.52510200e-11,3.19634700e-11, &
       0.00000000e+00,0.00000000e+00,0.00000000e+00,0.00000000e+00,0.00000000e+00, &
       0.0d0,0.0d0,0.0d0,0.0d0,0.0d0, &
@@ -3842,7 +3842,7 @@ module compdatadb
       cpdata(cid = "O-H2", &
       ref = "MEOS/Default", &
       bib_ref = "Leachman (2009), DOI: 10.1063/1.3160306", &
-      cptype = 13, &
+      cptype = 12, &
       cp = (/2.50000000e+00,2.54151000e+00,8.56000000e+02,-2.36610000e+00,1.44400000e+03, &
       1.00365000e+00,2.19400000e+03,1.22447000e+00,6.96800000e+03,0.0d0, &
       0.0d0,0.0d0,0.0d0,0.0d0,0.0d0, &
@@ -4052,7 +4052,7 @@ module compdatadb
       cpdata(cid = "P-H2", &
       ref = "MEOS/Default", &
       bib_ref = "Leachman (2009), DOI: 10.1063/1.3160306", &
-      cptype = 13, &
+      cptype = 12, &
       cp = (/2.50000000e+00,4.30256000e+00,4.99000000e+02,1.30289000e+01,8.26500000e+02, &
       -4.77365000e+01,9.70800000e+02,5.00013000e+01,1.16620000e+03,-1.86261000e+01, &
       1.34140000e+03,9.93973000e-01,5.39500000e+03,5.36078000e-01,1.01850000e+04, &

src/ideal.f90

@@ -299,6 +299,9 @@ function CPideal(comp, i, T) result (Cp_id)
       enddo
       Cp_id = Cp_id*rgas
 
+      case default
+        call stoperror("Invalid Cp correlation")
+
     end select method_Cp
   end function CPideal