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Set critical parameters in the CoolPropFluid class

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Pre-processing of R124 viscosity is all working

Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
This commit is contained in:
Ian Bell
2014-05-28 14:34:48 +02:00
parent cb15a00699
commit 118d7e9ad2
7 changed files with 106 additions and 46 deletions
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68
src/Backends/Helmholtz/Fluids/FluidLibrary.h
View File

@@ -437,11 +437,39 @@ protected:
}
};
void parse_ECS_viscosity(rapidjson::Value &viscosity, CoolPropFluid & fluid)
{
fluid.transport.viscosity_ecs.reference_fluid = cpjson::get_string(viscosity,"reference_fluid");
// Parameters for correction polynomial
fluid.transport.viscosity_ecs.psi_a = cpjson::get_long_double_array(viscosity["psi"]["a"]);
fluid.transport.viscosity_ecs.psi_t = cpjson::get_long_double_array(viscosity["psi"]["t"]);
fluid.transport.viscosity_ecs.psi_rhomolar_reducing = cpjson::get_double(viscosity["psi"],"rhomolar_reducing");
fluid.transport.using_ECS = true;
}
/// Parse the transport properties
void parse_viscosity(rapidjson::Value &viscosity, CoolPropFluid & fluid)
{
// Load the BibTeX key
fluid.transport.BibTeX_viscosity = cpjson::get_string(viscosity,"BibTeX");
// Set the Lennard-Jones 12-6 potential variables, or approximate them from method of Chung
if (!viscosity.HasMember("sigma_eta")|| !viscosity.HasMember("epsilon_over_k")){
default_transport(fluid);
}
else{
fluid.transport.sigma_eta = cpjson::get_double(viscosity, "sigma_eta");
fluid.transport.epsilon_over_k = cpjson::get_double(viscosity, "epsilon_over_k");
}
// If it is using ECS, set ECS parameters and quit
if (viscosity.HasMember("type") && !cpjson::get_string(viscosity, "type").compare("ECS")){
parse_ECS_viscosity(viscosity, fluid);
return;
}
if (viscosity.HasMember("hardcoded")){
std::string target = cpjson::get_string(viscosity,"hardcoded");
if (!target.compare("Water")){
@@ -458,14 +486,7 @@ protected:
}
}
// Set the Lennard-Jones 12-6 potential variables, or approximate them from method of Chung
if (!viscosity.HasMember("sigma_eta")|| !viscosity.HasMember("epsilon_over_k")){
default_transport(fluid);
}
else{
fluid.transport.sigma_eta = cpjson::get_double(viscosity, "sigma_eta");
fluid.transport.epsilon_over_k = cpjson::get_double(viscosity, "epsilon_over_k");
}
// Load dilute viscosity term
if (viscosity.HasMember("dilute")){
@@ -650,23 +671,6 @@ protected:
/// Parse the transport properties
void parse_transport(rapidjson::Value &transport, CoolPropFluid & fluid)
{
//if (!fluid.name.compare("n-Hexane")){
// rapidjson::Document dd;
// dd.SetObject();
// dd.AddMember("core",transport,dd.GetAllocator());
// rapidjson::StringBuffer buffer;
// rapidjson::PrettyWriter<rapidjson::StringBuffer> writer(buffer);
// dd.Accept(writer);
// std::string json0 = buffer.GetString();
// //std::cout << json0 << std::endl;
// FILE *fp;
// fp = fopen("nHexane_transport.json","w");
// fprintf(fp,"%s",json0.c_str());
// fclose(fp);
//}
// Parse viscosity
if (transport.HasMember("viscosity")){
@@ -691,8 +695,11 @@ protected:
}
/// Parse the critical state for the given EOS
void parse_crit_state(rapidjson::Value &alphar)
void parse_crit_state(rapidjson::Value &crit, CoolPropFluid & fluid)
{
fluid.crit.T = cpjson::get_double(crit,"T");
fluid.crit.p = cpjson::get_double(crit,"p");
fluid.crit.rhomolar = cpjson::get_double(crit,"rhomolar");
};
/// Parse the critical state for the given EOS
@@ -751,7 +758,8 @@ public:
fluid.name = fluid_json["NAME"].GetString(); name_vector.push_back(fluid.name);
// CAS number
fluid.CAS = fluid_json["CAS"].GetString();
// Critical state
parse_crit_state(fluid_json["CRITICAL"], fluid);
if (get_debug_level() > 5){
std::cout << format("Loading fluid %s with CAS %s; %d fluids loaded\n", fluid.name.c_str(), fluid.CAS.c_str(), index);
@@ -761,7 +769,7 @@ public:
fluid.aliases = cpjson::get_string_array(fluid_json["ALIASES"]);
// EOS
parse_EOS_listing(fluid_json["EOS"],fluid);
parse_EOS_listing(fluid_json["EOS"], fluid);
// Validate the fluid
validate(fluid);
@@ -789,9 +797,7 @@ public:
else{
parse_environmental(fluid_json["ENVIRONMENTAL"], fluid);
}
if (index == 80){
double rr =0;
}
// Parse the environmental parameters
if (!(fluid_json.HasMember("TRANSPORT"))){
default_transport(fluid);

45
src/Backends/Helmholtz/HelmholtzEOSMixtureBackend.cpp
View File

@@ -195,9 +195,18 @@ long double HelmholtzEOSMixtureBackend::calc_viscosity(void)
{
if (is_pure_or_pseudopure)
{
if (components[0]->transport.hardcoded_viscosity != CoolProp::TransportPropertyData::VISCOSITY_NOT_HARDCODED)
// Get a reference for code cleanness
CoolPropFluid &component = *(components[0]);
// Check if using ECS
if (component.transport.using_ECS)
{
switch(components[0]->transport.hardcoded_viscosity)
return TransportRoutines::viscosity_ECS(*this, *this);
}
if (component.transport.hardcoded_viscosity != CoolProp::TransportPropertyData::VISCOSITY_NOT_HARDCODED)
{
switch(component.transport.hardcoded_viscosity)
{
case CoolProp::TransportPropertyData::VISCOSITY_HARDCODED_WATER:
return TransportRoutines::viscosity_water_hardcoded(*this);
@@ -206,7 +215,7 @@ long double HelmholtzEOSMixtureBackend::calc_viscosity(void)
case CoolProp::TransportPropertyData::VISCOSITY_HARDCODED_R23:
return TransportRoutines::viscosity_R23_hardcoded(*this);
default:
throw ValueError(format("hardcoded viscosity type [%d] is invalid for fluid %s", components[0]->transport.hardcoded_viscosity, name().c_str()));
throw ValueError(format("hardcoded viscosity type [%d] is invalid for fluid %s", component.transport.hardcoded_viscosity, name().c_str()));
}
}
// Dilute part
@@ -215,8 +224,9 @@ long double HelmholtzEOSMixtureBackend::calc_viscosity(void)
// Background viscosity given by the sum of the initial density dependence and higher order terms
long double eta_back = calc_viscosity_background(eta_dilute);
// Critical part
// Critical part (no fluids have critical enhancement for viscosity currently)
long double eta_critical = 0;
return eta_dilute + eta_back + eta_critical;
}
else
@@ -311,6 +321,33 @@ std::string HelmholtzEOSMixtureBackend::calc_name(void)
return components[0]->name;
}
}
long double HelmholtzEOSMixtureBackend::calc_T_critical(void)
{
if (components.size() != 1){
throw ValueError(format("For now, calc_T_critical is only valid for pure and pseudo-pure fluids, %d components", components.size()));
}
else{
return components[0]->crit.T;
}
}
long double HelmholtzEOSMixtureBackend::calc_p_critical(void)
{
if (components.size() != 1){
throw ValueError(format("For now, calc_p_critical is only valid for pure and pseudo-pure fluids, %d components", components.size()));
}
else{
return components[0]->crit.p;
}
}
long double HelmholtzEOSMixtureBackend::calc_rhomolar_critical(void)
{
if (components.size() != 1){
throw ValueError(format("For now, calc_rhomolar_critical is only valid for pure and pseudo-pure fluids, %d components", components.size()));
}
else{
return components[0]->crit.rhomolar;
}
}
long double HelmholtzEOSMixtureBackend::calc_Tmax(void)
{
double summer = 0;

4
src/Backends/Helmholtz/HelmholtzEOSMixtureBackend.h
View File

@@ -128,6 +128,10 @@ public:
long double calc_pmax(void);
long double calc_Ttriple(void);
long double calc_T_critical(void);
long double calc_p_critical(void);
long double calc_rhomolar_critical(void);
std::string calc_name(void);
long double calc_alphar_deriv_nocache(const int nTau, const int nDelta, const std::vector<long double> & mole_fractions, const long double &tau, const long double &delta);

6
src/Backends/Helmholtz/TransportRoutines.cpp
View File

@@ -831,10 +831,10 @@ long double TransportRoutines::viscosity_ECS(HelmholtzEOSMixtureBackend &HEOS, H
std::vector<long double> &a = ECS.psi_a, &t = ECS.psi_t;
// The correction polynomial
// The correction polynomial psi_eta
double psi = 0;
for (std::size_t i=0; i<=a.size(); i++)
psi += a[i]*pow(HEOS.rhomolar()/ECS.rhomolar_reducing, t[i]);
for (std::size_t i=0; i < a.size(); i++)
psi += a[i]*pow(HEOS.rhomolar()/ECS.psi_rhomolar_reducing, t[i]);
// The dilute gas portion for the fluid of interest [Pa-s]
long double eta_dilute = viscosity_dilute_kinetic_theory(HEOS);