Implemented conductivity for CO2 from Scalabrin. All CO2 tests pass now.

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
2026-04-23 03:00:17 -04:00 · 2014-05-30 15:16:32 +02:00
parent 43255cfd5f
commit c63b0e95e2
9 changed files with 118 additions and 32 deletions
--- a/CoolPropBibTeXLibrary.bib
+++ b/CoolPropBibTeXLibrary.bib
@@ -1164,6 +1164,19 @@
  timestamp = {2013.04.10}
 }

+@ARTICLE{Scalabrin-JPCRD-2006-CO2,
+  author = {G. Scalabrin and P. Marchi and F. Finezzo and R. Span},
+  title = {{A Reference Multiparameter Thermal Conductivity Equation for Carbon
+	Dioxide with an Optimized Functional Form}},
+  journal = {J. Phys. Chem Ref. Data},
+  year = {2006},
+  volume = {35},
+  pages = {1549-1575},
+  number = {4},
+  owner = {Belli},
+  timestamp = {2014.05.30}
+}
+
@MASTERSTHESIS{Schroeder-MSTHESIS-2011,
  author = {Jacob Armin Schroeder},
  title = {{A New Fundamental Equation for Ethanol}},
--- a/dev/fluids/CarbonDioxide.json
+++ b/dev/fluids/CarbonDioxide.json
@@ -456,42 +456,79 @@
  "NAME": "CarbonDioxide", 
  "TRANSPORT": {
    "conductivity": {
-      "BibTeX": "Vesovic-JPCRD-1990", 
+      "BibTeX": "Scalabrin-JPCRD-2006-CO2", 
      "critical": {
-        "GAMMA": 0.052, 
-        "R0": 1.01, 
-        "gamma": 1.2415, 
-        "qD": 2500000000.0, 
-        "type": "simplified_Olchowy_Sengers", 
-        "zeta0": 1.5e-10
+        "hardcoded": "CarbonDioxideScalabrinJPCRD2006"
      }, 
      "dilute": {
-        "hardcoded": "CO2"
+        "hardcoded": "none"
      }, 
      "residual": {
-        "B": [
-          2.447164e-05, 
-          8.705605e-08, 
-          -6.54795e-11, 
-          6.594919e-14
+        "A": [
+          0.0370597124660408, 
+          0.0007696647124242399, 
+          0.0075538113451464, 
+          -0.032416436589336, 
+          0.078894098855904, 
+          0.0177830586854928, 
+          0.10744756315137599, 
+          0.31839746259479995, 
+          -0.00082691726160072, 
+          2.0846013855224798e-05
        ], 
-        "T_reducing": 304.107, 
+        "T_reducing": 304.1282, 
        "T_reducing_units": "K", 
        "d": [
-          1, 
-          2, 
-          3, 
-          4
+          1.0, 
+          5.0, 
+          1.0, 
+          1.0, 
+          2.0, 
+          0.0, 
+          5.0, 
+          9.0, 
+          0.0, 
+          0.0
        ], 
-        "rhomass_reducing": 1, 
+        "gamma": [
+          0, 
+          0, 
+          0, 
+          5, 
+          5, 
+          5, 
+          5, 
+          5, 
+          5, 
+          5
+        ], 
+        "l": [
+          0, 
+          0, 
+          0, 
+          2, 
+          2, 
+          2, 
+          2, 
+          2, 
+          2, 
+          2
+        ], 
+        "rhomass_reducing": 467.6, 
        "rhomass_reducing_units": "kg/m^3", 
        "t": [
-          0, 
-          0, 
-          0, 
-          0
+          0.0, 
+          0.0, 
+          -1.5, 
+          0.0, 
+          -1.0, 
+          -1.5, 
+          -1.5, 
+          -1.5, 
+          -3.5, 
+          -5.5
        ], 
-        "type": "polynomial"
+        "type": "polynomial_and_exponential"
      }
    }, 
    "viscosity": {
--- a/include/CoolPropFluid.h
+++ b/include/CoolPropFluid.h
@@ -64,6 +64,7 @@ struct ConductivityDiluteVariables
                                 CONDUCTIVITY_DILUTE_ETA0_AND_POLY, 
                                 CONDUCTIVITY_DILUTE_CO2, 
                                 CONDUCTIVITY_DILUTE_ETHANE, 
+                                 CONDUCTIVITY_DILUTE_NONE, 
                                 CONDUCTIVITY_DILUTE_NOT_SET
                                 };
    int type;
@@ -120,6 +121,7 @@ struct ConductivityCriticalVariables
                                   CONDUCTIVITY_CRITICAL_R123, 
                                   CONDUCTIVITY_CRITICAL_AMMONIA, 
                                   CONDUCTIVITY_CRITICAL_NONE, 
+                                   CONDUCTIVITY_CRITICAL_CARBONDIOXIDE_SCALABRIN_JPCRD_2006,
                                   CONDUCTIVITY_CRITICAL_NOT_SET
                                   };
    int type;
--- a/src/Backends/Helmholtz/Fluids/FluidLibrary.h
+++ b/src/Backends/Helmholtz/Fluids/FluidLibrary.h
@@ -270,6 +270,12 @@ protected:
            if (!target.compare("Ethane")){
                fluid.transport.viscosity_dilute.type = CoolProp::ViscosityDiluteVariables::VISCOSITY_DILUTE_ETHANE; return;
            }
+            else if (!target.compare("Ethane")){
+                fluid.transport.viscosity_dilute.type = CoolProp::ViscosityDiluteVariables::VISCOSITY_DILUTE_ETHANE; return;
+            }
+            else{
+                throw ValueError(format("hardcoded dilute viscosity [%s] is not understood for fluid %s",target.c_str(),fluid.name.c_str()));
+            }
        }
        std::string type = cpjson::get_string(dilute, "type");
        if (!type.compare("collision_integral")){
@@ -528,6 +534,9 @@ protected:
            else if (!target.compare("Ethane")){
                fluid.transport.conductivity_dilute.type = CoolProp::ConductivityDiluteVariables::CONDUCTIVITY_DILUTE_ETHANE; return;
            }
+            else if (!target.compare("none")){
+                fluid.transport.conductivity_dilute.type = CoolProp::ConductivityDiluteVariables::CONDUCTIVITY_DILUTE_NONE; return;
+            }
            else{
                throw ValueError(format("hardcoded dilute conductivity term [%s] is not understood for fluid %s",target.c_str(), fluid.name.c_str()));
            }
@@ -619,6 +628,9 @@ protected:
            else if (!target.compare("Ammonia")){
                fluid.transport.conductivity_critical.type = CoolProp::ConductivityCriticalVariables::CONDUCTIVITY_CRITICAL_AMMONIA; return;
            }
+            else if (!target.compare("CarbonDioxideScalabrinJPCRD2006")){
+                fluid.transport.conductivity_critical.type = CoolProp::ConductivityCriticalVariables::CONDUCTIVITY_CRITICAL_CARBONDIOXIDE_SCALABRIN_JPCRD_2006; return;
+            }
            else if (!target.compare("None")){
                fluid.transport.conductivity_critical.type = CoolProp::ConductivityCriticalVariables::CONDUCTIVITY_CRITICAL_NONE; return;
            }
--- a/src/Backends/Helmholtz/HelmholtzEOSMixtureBackend.cpp
+++ b/src/Backends/Helmholtz/HelmholtzEOSMixtureBackend.cpp
@@ -299,6 +299,8 @@ long double HelmholtzEOSMixtureBackend::calc_conductivity(void)
            lambda_dilute = TransportRoutines::conductivity_dilute_hardcoded_CO2(*this); break;
        case ConductivityDiluteVariables::CONDUCTIVITY_DILUTE_ETHANE:
            lambda_dilute = TransportRoutines::conductivity_dilute_hardcoded_ethane(*this); break;
+        case ConductivityDiluteVariables::CONDUCTIVITY_DILUTE_NONE:
+            lambda_dilute = 0.0; break;
        default:
            throw ValueError(format("dilute conductivity type [%d] is invalid for fluid %s", components[0]->transport.conductivity_dilute.type, name().c_str()));
        }
@@ -317,6 +319,8 @@ long double HelmholtzEOSMixtureBackend::calc_conductivity(void)
            lambda_critical = TransportRoutines::conductivity_critical_hardcoded_ammonia(*this); break;
        case ConductivityCriticalVariables::CONDUCTIVITY_CRITICAL_NONE:
            lambda_critical = 0.0; break;
+        case ConductivityCriticalVariables::CONDUCTIVITY_CRITICAL_CARBONDIOXIDE_SCALABRIN_JPCRD_2006:
+            lambda_critical = TransportRoutines::conductivity_critical_hardcoded_CO2_ScalabrinJPCRD2006(*this); break;
        default:
            throw ValueError(format("critical conductivity type [%d] is invalid for fluid %s", components[0]->transport.viscosity_dilute.type, name().c_str()));
        }
--- a/src/Backends/Helmholtz/TransportRoutines.cpp
+++ b/src/Backends/Helmholtz/TransportRoutines.cpp
@@ -569,6 +569,20 @@ long double TransportRoutines::conductivity_critical_hardcoded_R123(HelmholtzEOS
    return a13*exp(a14*pow(HEOS.tau()-1,4)+a15*pow(HEOS.delta()-1,2));
 };

+long double TransportRoutines::conductivity_critical_hardcoded_CO2_ScalabrinJPCRD2006(HelmholtzEOSMixtureBackend &HEOS){
+    long double nc = 0.775547504e-3*4.81384, Tr = HEOS.T()/304.1282, alpha, rhor = HEOS.keyed_output(iDmass)/467.6;
+    static long double a[] = {0.0, 3.0, 6.70697, 0.94604, 0.30, 0.30, 0.39751, 0.33791, 0.77963, 0.79857, 0.90, 0.02, 0.20};
+    
+    // Equation 6 from Scalabrin
+    alpha = 1-a[10]*acosh(1+a[11]*pow(pow(1-Tr,2),a[12]));
+
+    // Equation 5 from Scalabrin
+    long double numer = rhor*exp(-pow(rhor,a[1])/a[1]-pow(a[2]*(Tr-1),2)-pow(a[3]*(rhor-1),2));
+    long double braced = (1-1/Tr)+a[4]*pow(pow(rhor-1,2),0.5/a[5]);
+    long double denom = pow(pow(pow(braced, 2), a[6]) + pow(pow(a[7]*(rhor-alpha), 2), a[8]),a[9]);
+    return nc*numer/denom;
+}
+
 long double TransportRoutines::conductivity_dilute_hardcoded_CO2(HelmholtzEOSMixtureBackend &HEOS){

    double e_k = 251.196, Tstar;
@@ -938,4 +952,6 @@ long double TransportRoutines::conductivity_ECS(HelmholtzEOSMixtureBackend &HEOS

    return lambda;
 }
+
+
 }; /* namespace CoolProp */
--- a/src/Backends/Helmholtz/TransportRoutines.h
+++ b/src/Backends/Helmholtz/TransportRoutines.h
@@ -161,6 +161,7 @@ public:
    */
    static long double conductivity_critical_simplified_Olchowy_Sengers(HelmholtzEOSMixtureBackend &HEOS);

+    static long double conductivity_critical_hardcoded_CO2_ScalabrinJPCRD2006(HelmholtzEOSMixtureBackend &HEOS);
    static long double conductivity_critical_hardcoded_R123(HelmholtzEOSMixtureBackend &HEOS);
    static long double conductivity_dilute_hardcoded_CO2(HelmholtzEOSMixtureBackend &HEOS);
    static long double conductivity_dilute_hardcoded_ethane(HelmholtzEOSMixtureBackend &HEOS);
--- a/src/Backends/REFPROP/REFPROPMixtureBackend.h
+++ b/src/Backends/REFPROP/REFPROPMixtureBackend.h
@@ -14,6 +14,7 @@

 namespace CoolProp {

+
 class REFPROPMixtureBackend : public AbstractState  {
 protected:
    int Ncomp;
--- a/src/Tests/CoolProp-Tests.cpp
+++ b/src/Tests/CoolProp-Tests.cpp
@@ -351,14 +351,14 @@ vel("R123", "T", 180, "Dmass", 0.2873e-2, "L", 2.473e-3, 1e-3),
 vel("R123", "T", 430, "Dmass", 996.35, "L", 45.62e-3, 1e-3),
 vel("R123", "T", 430, "Dmass", 166.9,  "L", 21.03e-3, 1e-3),

-// From Vesovic, JPCRD, 1990
-vel("CO2", "T", 220, "Dmass", 2.440, "L", 10.90e-3, 1e-4),
-vel("CO2", "T", 300, "Dmass", 1.773, "L", 16.77e-3, 1e-4),
-vel("CO2", "T", 800, "Dmass", 0.662, "L", 56.65e-3, 1e-4),
-vel("CO2", "T", 304, "Dmass", 254.3205, "L", 42.52e-3, 1e-4),
-vel("CO2", "T", 220, "Dmass", 1194.86, "L", 187.50e-3, 1e-4),
-vel("CO2", "T", 300, "Dmass", 1029.27, "L", 137.61e-3, 1e-4),
-vel("CO2", "T", 800, "Dmass", 407.828, "L", 78.47e-3, 1e-4),
+// From Scalabrin, JPCRD, 2006
+vel("CO2", "T", 218, "Q", 0, "L", 181.09e-3, 1e-4),
+vel("CO2", "T", 218, "Q", 1, "L", 10.837e-3, 1e-4),
+vel("CO2", "T", 304, "Q", 0, "L", 140.3e-3, 1e-4),
+vel("CO2", "T", 304, "Q", 1, "L", 217.95e-3, 1e-4),
+vel("CO2", "T", 225, "Dmass", 0.23555, "L", 11.037e-3, 1e-4),
+vel("CO2", "T", 275, "Dmass", 1281.64, "L", 238.44e-3, 1e-4),
+

 // From Friend, JPCRD, 1991
 vel("Ethane", "T", 100, "Dmass", 1e-13, "L", 3.46e-3, 1e-2),