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Merge branch 'master' of https://github.com/coolprop/coolprop

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This commit is contained in:
Ian Bell
2014-05-30 17:17:06 +02:00
parent fdd329fb7b 9e72f88d7d
commit eef1f9d315
11 changed files with 709 additions and 252 deletions
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28
src/Backends/Helmholtz/ExcessHEFunction.cpp
View File

@@ -1,3 +1,5 @@
#include <tr1/memory>
#include "ExcessHEFunction.h"
#include "mixture_excess_term_JSON.h"
@@ -44,12 +46,12 @@ MixtureExcessHELibrary::MixtureExcessHELibrary()
for (unsigned int i = 0; i < CAS1V.size(); ++i)
{
// Get the vector of CAS numbers
// Get the vector of CAS numbers
std::vector<std::string> CAS;
CAS.resize(2);
CAS[0] = CAS1V[i];
CAS[1] = CAS2V[i];
// Sort the CAS number vector
std::sort(CAS.begin(), CAS.end());
@@ -78,7 +80,7 @@ MixtureExcessHELibrary::MixtureExcessHELibrary()
{
throw ValueError();
}
// If not in map, add new entry to map with dictionary
if (excess_map.find(CAS) == excess_map.end())
{
@@ -93,10 +95,10 @@ MixtureExcessHELibrary::MixtureExcessHELibrary()
{
// Append dictionary to listing
excess_map[CAS].push_back(d);
}
}
}
}
}
}
}
void ExcessTerm::construct(const std::vector<CoolPropFluid*> &components)
@@ -105,7 +107,7 @@ void ExcessTerm::construct(const std::vector<CoolPropFluid*> &components)
N = components.size();
F.resize(N, std::vector<double>(N, 0));
DepartureFunctionMatrix.resize(N, std::vector<DepartureFunctionPointer>(N, NULL));
DepartureFunctionMatrix.resize(N);
for (unsigned int i = 0; i < N; ++i)
{
@@ -162,7 +164,7 @@ double ExcessTerm::alphar(double tau, double delta, const std::vector<long doubl
for (unsigned int i = 0; i < N-1; i++)
{
for (unsigned int j = i + 1; j < N; j++)
{
{
summer += x[i]*x[j]*F[i][j]*DepartureFunctionMatrix[i][j]->alphar(tau,delta);
}
}
@@ -174,7 +176,7 @@ double ExcessTerm::dalphar_dTau(double tau, double delta, const std::vector<long
for (unsigned int i = 0; i < N-1; i++)
{
for (unsigned int j = i + 1; j < N; j++)
{
{
summer += x[i]*x[j]*F[i][j]*DepartureFunctionMatrix[i][j]->dalphar_dTau(tau,delta);
}
}
@@ -186,7 +188,7 @@ double ExcessTerm::dalphar_dDelta(double tau, double delta, const std::vector<lo
for (unsigned int i = 0; i < N-1; i++)
{
for (unsigned int j = i + 1; j < N; j++)
{
{
summer += x[i]*x[j]*F[i][j]*DepartureFunctionMatrix[i][j]->dalphar_dDelta(tau,delta);
}
}
@@ -198,7 +200,7 @@ double ExcessTerm::d2alphar_dDelta2(double tau, double delta, const std::vector<
for (unsigned int i = 0; i < N-1; i++)
{
for (unsigned int j = i + 1; j < N; j++)
{
{
summer += x[i]*x[j]*F[i][j]*DepartureFunctionMatrix[i][j]->d2alphar_dDelta2(tau,delta);
}
}
@@ -210,7 +212,7 @@ double ExcessTerm::d2alphar_dTau2(double tau, double delta, const std::vector<lo
for (unsigned int i = 0; i < N-1; i++)
{
for (unsigned int j = i + 1; j < N; j++)
{
{
summer += x[i]*x[j]*F[i][j]*DepartureFunctionMatrix[i][j]->d2alphar_dTau2(tau,delta);
}
}
@@ -222,7 +224,7 @@ double ExcessTerm::d2alphar_dDelta_dTau(double tau, double delta, const std::vec
for (unsigned int i = 0; i < N-1; i++)
{
for (unsigned int j = i + 1; j < N; j++)
{
{
summer += x[i]*x[j]*F[i][j]*DepartureFunctionMatrix[i][j]->d2alphar_dDelta_dTau(tau,delta);
}
}
@@ -280,7 +282,7 @@ GERG2008DepartureFunction::GERG2008DepartureFunction(const std::vector<double> &
const std::vector<double> &eta,const std::vector<double> &epsilon,const std::vector<double> &beta,
const std::vector<double> &gamma, int Npower)
{
/// Break up into power and gaussian terms
{
std::vector<long double> _n(n.begin(), n.begin()+Npower);

11
src/Backends/Helmholtz/ExcessHEFunction.h
View File

@@ -1,6 +1,7 @@
#ifndef EXCESSHE_FUNCTIONS_H
#define EXCESSHE_FUNCTIONS_H
#include <tr1/memory>
#include <vector>
#include "CoolPropFluid.h"
@@ -35,7 +36,7 @@ public:
d.add_number("F", F[i]);
}
d.add_number("Npower", cpjson::get_double(val,"Npower"));
// Terms for the power
d.add_double_vector("n", cpjson::get_double_array(val["n"]));
d.add_double_vector("d", cpjson::get_double_array(val["d"]));
@@ -59,7 +60,7 @@ public:
};
};
/*!
/*!
The abstract base class for departure functions for the excess part of the Helmholtz energy
*/
class DepartureFunction
@@ -67,7 +68,7 @@ class DepartureFunction
public:
DepartureFunction(){};
virtual ~DepartureFunction(){};
/// The excess Helmholtz energy of the binary pair
/// Pure-virtual function (must be implemented in derived class
virtual double alphar(double tau, double delta) = 0;
@@ -86,7 +87,7 @@ public:
unsigned int N;
std::vector<std::vector<DepartureFunctionPointer> > DepartureFunctionMatrix;
std::vector<std::vector<double> > F;
ExcessTerm(){};
void construct(const std::vector<CoolPropFluid*> &components);
~ExcessTerm();
@@ -124,4 +125,4 @@ public:
};
} /* namespace CoolProp */
#endif
#endif

128
src/Backends/Helmholtz/HelmholtzEOSMixtureBackend.cpp
View File

@@ -5,6 +5,8 @@
* Author: jowr
*/
#include <tr1/memory>
#if defined(_MSC_VER)
#define _CRTDBG_MAP_ALLOC
#define _CRT_SECURE_NO_WARNINGS
@@ -67,7 +69,7 @@ void HelmholtzEOSMixtureBackend::set_components(std::vector<CoolPropFluid*> comp
imposed_phase_index = -1;
// Top-level class can hold copies of the base saturation classes,
// Top-level class can hold copies of the base saturation classes,
// saturation classes cannot hold copies of the saturation classes
if (generate_SatL_and_SatV)
{
@@ -76,10 +78,6 @@ void HelmholtzEOSMixtureBackend::set_components(std::vector<CoolPropFluid*> comp
SatV.reset(new HelmholtzEOSMixtureBackend(components, false));
SatV->specify_phase(iphase_gas);
}
else
{
SatL = NULL; SatV = NULL;
}
}
void HelmholtzEOSMixtureBackend::set_mole_fractions(const std::vector<long double> &mole_fractions)
{
@@ -154,7 +152,7 @@ long double HelmholtzEOSMixtureBackend::calc_viscosity_dilute(void)
{
throw NotImplementedError(format("dilute viscosity not implemented for mixtures"));
}
}
long double HelmholtzEOSMixtureBackend::calc_viscosity_background()
{
@@ -203,8 +201,9 @@ long double HelmholtzEOSMixtureBackend::calc_viscosity(void)
{
// Get reference fluid name
std::string fluid_name = component.transport.viscosity_ecs.reference_fluid;
std::vector<std::string> names(1, fluid_name);
// Get a managed pointer to the reference fluid for ECS
std::tr1::shared_ptr<HelmholtzEOSMixtureBackend> ref_fluid(new HelmholtzEOSMixtureBackend(std::vector<std::string>(1, fluid_name)));
std::tr1::shared_ptr<HelmholtzEOSMixtureBackend> ref_fluid(new HelmholtzEOSMixtureBackend(names));
// Get the viscosity using ECS
return TransportRoutines::viscosity_ECS(*this, *(ref_fluid.get()));
}
@@ -266,8 +265,9 @@ long double HelmholtzEOSMixtureBackend::calc_conductivity(void)
{
// Get reference fluid name
std::string fluid_name = component.transport.conductivity_ecs.reference_fluid;
std::vector<std::string> name(1, fluid_name);
// Get a managed pointer to the reference fluid for ECS
std::tr1::shared_ptr<HelmholtzEOSMixtureBackend> ref_fluid(new HelmholtzEOSMixtureBackend(std::vector<std::string>(1, fluid_name)));
std::tr1::shared_ptr<HelmholtzEOSMixtureBackend> ref_fluid(new HelmholtzEOSMixtureBackend(name,false));
// Get the viscosity using ECS
return TransportRoutines::conductivity_ECS(*this, *(ref_fluid.get()));
}
@@ -306,7 +306,7 @@ long double HelmholtzEOSMixtureBackend::calc_conductivity(void)
}
long double lambda_residual = calc_conductivity_background();
// Critical part
long double lambda_critical = _HUGE;
switch(component.transport.conductivity_critical.type)
@@ -416,7 +416,7 @@ void HelmholtzEOSMixtureBackend::mass_to_molar_inputs(long &input_pair, double &
case PSmass_INPUTS: ///< Pressure in Pa, Entropy in J/kg/K
case PUmass_INPUTS: ///< Pressure in Pa, Internal energy in J/kg
case HmassSmass_INPUTS: ///< Enthalpy in J/kg, Entropy in J/kg/K
case SmassUmass_INPUTS: ///< Entropy in J/kg/K, Internal energy in J/kg
case SmassUmass_INPUTS: ///< Entropy in J/kg/K, Internal energy in J/kg
case DmassHmass_INPUTS: ///< Mass density in kg/m^3, Enthalpy in J/kg
case DmassSmass_INPUTS: ///< Mass density in kg/m^3, Entropy in J/kg/K
case DmassUmass_INPUTS: ///< Mass density in kg/m^3, Internal energy in J/kg
@@ -451,15 +451,15 @@ void HelmholtzEOSMixtureBackend::mass_to_molar_inputs(long &input_pair, double &
}
void HelmholtzEOSMixtureBackend::update(long input_pair, double value1, double value2 )
{
clear();
clear();
if (is_pure_or_pseudopure == false && mole_fractions.size() == 0) {
throw ValueError("Mole fractions must be set");
if (is_pure_or_pseudopure == false && mole_fractions.size() == 0) {
throw ValueError("Mole fractions must be set");
}
mass_to_molar_inputs(input_pair, value1, value2);
// Set the mole-fraction weighted gas constant for the mixture
// Set the mole-fraction weighted gas constant for the mixture
// (or the pure/pseudo-pure fluid) if it hasn't been set yet
gas_constant();
@@ -602,7 +602,7 @@ void HelmholtzEOSMixtureBackend::p_phase_determination_pure_or_pseudopure(int ot
{
long double p_vap = 0.98*static_cast<double>(_pVanc);
long double p_liq = 1.02*static_cast<double>(_pLanc);
if (value < p_vap){
this->_phase = iphase_gas; _Q = -1000; return;
}
@@ -640,7 +640,7 @@ void HelmholtzEOSMixtureBackend::p_phase_determination_pure_or_pseudopure(int ot
switch (other)
{
case iSmolar:
{
{
if (value > SatV->calc_smolar()){
this->_phase = iphase_gas; return;
}
@@ -675,7 +675,7 @@ void HelmholtzEOSMixtureBackend::p_phase_determination_pure_or_pseudopure(int ot
}
}
}
// Determine Q based on the input provided
if (!is_pure_or_pseudopure){throw ValueError("possibly two-phase inputs not supported for pseudo-pure for now");}
@@ -687,7 +687,7 @@ void HelmholtzEOSMixtureBackend::p_phase_determination_pure_or_pseudopure(int ot
SaturationSolvers::saturation_T_pure(&HEOS, _T, options);
long double Q;
if (other == iP)
{
if (value > 100*DBL_EPSILON + HEOS.SatL->p()){
@@ -725,7 +725,7 @@ void HelmholtzEOSMixtureBackend::p_phase_determination_pure_or_pseudopure(int ot
this->_phase = iphase_twophase;
}
_Q = Q;
// Load the outputs
// Load the outputs
_p = _Q*HEOS.SatV->p() + (1-_Q)*HEOS.SatL->p();
_rhomolar = 1/(_Q/HEOS.SatV->rhomolar() + (1-_Q)/HEOS.SatL->rhomolar());
return;
@@ -751,7 +751,7 @@ void HelmholtzEOSMixtureBackend::T_phase_determination_pure_or_pseudopure(int ot
_pVanc = components[0]->ancillaries.pV.evaluate(_T);
long double p_vap = 0.98*static_cast<double>(_pVanc);
long double p_liq = 1.02*static_cast<double>(_pLanc);
if (value < p_vap){
this->_phase = iphase_gas; _Q = -1000; return;
}
@@ -789,7 +789,7 @@ void HelmholtzEOSMixtureBackend::T_phase_determination_pure_or_pseudopure(int ot
switch (other)
{
case iSmolar:
{
{
if (value > SatV->calc_smolar()){
this->_phase = iphase_gas; return;
}
@@ -824,7 +824,7 @@ void HelmholtzEOSMixtureBackend::T_phase_determination_pure_or_pseudopure(int ot
}
}
}
// Determine Q based on the input provided
if (!is_pure_or_pseudopure){throw ValueError("possibly two-phase inputs not supported for pseudo-pure for now");}
@@ -836,7 +836,7 @@ void HelmholtzEOSMixtureBackend::T_phase_determination_pure_or_pseudopure(int ot
SaturationSolvers::saturation_T_pure(&HEOS, _T, options);
long double Q;
if (other == iP)
{
if (value > 100*DBL_EPSILON + HEOS.SatL->p()){
@@ -874,7 +874,7 @@ void HelmholtzEOSMixtureBackend::T_phase_determination_pure_or_pseudopure(int ot
this->_phase = iphase_twophase;
}
_Q = Q;
// Load the outputs
// Load the outputs
_p = _Q*HEOS.SatV->p() + (1-_Q)*HEOS.SatL->p();
_rhomolar = 1/(_Q/HEOS.SatV->rhomolar() + (1-_Q)/HEOS.SatL->rhomolar());
return;
@@ -966,10 +966,10 @@ void HelmholtzEOSMixtureBackend::T_phase_determination_pure_or_pseudopure(int ot
// this->_phase = iphase_liquid;
// }
// else if (Q > 1+100*DBL_EPSILON){
// this->_phase = iphase_gas;
// this->_phase = iphase_gas;
// }
// else{
// this->_phase = iphase_twophase;
// this->_phase = iphase_twophase;
// }
// _Q = Q;
// // Load the outputs
@@ -1074,12 +1074,12 @@ void get_dtau_ddelta(HelmholtzEOSMixtureBackend *HEOS, long double T, long doubl
// dp/ddelta|tau
ddelta = rhor*R*T*(1+2*delta*dalphar_dDelta+pow(delta, 2)*d2alphar_dDelta2);
// dp/dtau|delta
dtau = dT_dtau*rho*R*(1+delta*dalphar_dDelta-tau*delta*d2alphar_dDelta_dTau);
dtau = dT_dtau*rho*R*(1+delta*dalphar_dDelta-tau*delta*d2alphar_dDelta_dTau);
break;
}
case iHmolar:
// dh/dtau|delta
dtau = dT_dtau*R*(-pow(tau,2)*(HEOS->d2alpha0_dTau2()+HEOS->d2alphar_dTau2()) + (1+delta*HEOS->dalphar_dDelta()-tau*delta*HEOS->d2alphar_dDelta_dTau()));
dtau = dT_dtau*R*(-pow(tau,2)*(HEOS->d2alpha0_dTau2()+HEOS->d2alphar_dTau2()) + (1+delta*HEOS->dalphar_dDelta()-tau*delta*HEOS->d2alphar_dDelta_dTau()));
// dh/ddelta|tau
ddelta = rhor*T*R/rho*(tau*delta*HEOS->d2alphar_dDelta_dTau()+delta*HEOS->dalphar_dDelta()+pow(delta,2)*HEOS->d2alphar_dDelta2());
break;
@@ -1106,7 +1106,7 @@ void get_dtau_ddelta(HelmholtzEOSMixtureBackend *HEOS, long double T, long doubl
long double HelmholtzEOSMixtureBackend::calc_first_partial_deriv_nocache(long double T, long double rhomolar, int Of, int Wrt, int Constant)
{
long double dOf_dtau, dOf_ddelta, dWrt_dtau, dWrt_ddelta, dConstant_dtau, dConstant_ddelta;
get_dtau_ddelta(this, T, rhomolar, Of, dOf_dtau, dOf_ddelta);
get_dtau_ddelta(this, T, rhomolar, Wrt, dWrt_dtau, dWrt_ddelta);
get_dtau_ddelta(this, T, rhomolar, Constant, dConstant_dtau, dConstant_ddelta);
@@ -1123,7 +1123,7 @@ long double HelmholtzEOSMixtureBackend::calc_pressure_nocache(long double T, lon
SimpleState reducing = calc_reducing_state_nocache(mole_fractions);
long double delta = rhomolar/reducing.rhomolar;
long double tau = reducing.T/T;
// Calculate derivative if needed
int nTau = 0, nDelta = 1;
long double dalphar_dDelta = calc_alphar_deriv_nocache(nTau, nDelta, mole_fractions, tau, delta);
@@ -1147,10 +1147,10 @@ long double HelmholtzEOSMixtureBackend::solver_for_rho_given_T_oneof_HSU(long do
long double T, value, r, eos, rhomolar;
HelmholtzEOSMixtureBackend *HEOS;
solver_resid(HelmholtzEOSMixtureBackend *HEOS, long double T, long double value, int other){
solver_resid(HelmholtzEOSMixtureBackend *HEOS, long double T, long double value, int other){
this->HEOS = HEOS; this->T = T; this->value = value; this->other = other;
};
double call(double rhomolar){
double call(double rhomolar){
this->rhomolar = rhomolar;
switch(other)
{
@@ -1163,7 +1163,7 @@ long double HelmholtzEOSMixtureBackend::solver_for_rho_given_T_oneof_HSU(long do
default:
throw ValueError(format("Input not supported"));
}
r = eos-value;
return r;
};
@@ -1180,7 +1180,7 @@ long double HelmholtzEOSMixtureBackend::solver_for_rho_given_T_oneof_HSU(long do
switch(other)
{
case iSmolar:
{
ymelt = calc_smolar_nocache(_T, rhomelt);
@@ -1208,7 +1208,7 @@ long double HelmholtzEOSMixtureBackend::solver_for_rho_given_T_oneof_HSU(long do
default:
throw ValueError();
}
if (is_in_closed_range(ymelt, yc, y))
{
long double rhomolar = Brent(resid, rhomelt, rhoc, LDBL_EPSILON, 1e-12, 100, errstring);
@@ -1220,7 +1220,7 @@ long double HelmholtzEOSMixtureBackend::solver_for_rho_given_T_oneof_HSU(long do
return rhomolar;
}
else
{
{
throw ValueError();
}
}
@@ -1274,7 +1274,7 @@ long double HelmholtzEOSMixtureBackend::solver_for_rho_given_T_oneof_HSU(long do
long double HelmholtzEOSMixtureBackend::solver_rho_Tp(long double T, long double p, long double rhomolar_guess)
{
int phase;
// Define the residual to be driven to zero
class solver_TP_resid : public FuncWrapper1D
{
@@ -1282,11 +1282,11 @@ long double HelmholtzEOSMixtureBackend::solver_rho_Tp(long double T, long double
long double T, p, r, peos, rhomolar, rhor, tau, R_u, delta, dalphar_dDelta;
HelmholtzEOSMixtureBackend *HEOS;
solver_TP_resid(HelmholtzEOSMixtureBackend *HEOS, long double T, long double p){
this->HEOS = HEOS; this->T = T; this->p = p; this->rhor = HEOS->get_reducing().rhomolar;
solver_TP_resid(HelmholtzEOSMixtureBackend *HEOS, long double T, long double p){
this->HEOS = HEOS; this->T = T; this->p = p; this->rhor = HEOS->get_reducing().rhomolar;
this->tau = HEOS->get_reducing().T/T; this->R_u = HEOS->gas_constant();
};
double call(double rhomolar){
double call(double rhomolar){
this->rhomolar = rhomolar;
delta = rhomolar/rhor;
dalphar_dDelta = HEOS->calc_alphar_deriv_nocache(0, 1, HEOS->get_mole_fractions(), tau, delta);
@@ -1310,7 +1310,7 @@ long double HelmholtzEOSMixtureBackend::solver_rho_Tp(long double T, long double
if (rhomolar_guess < 0) // Not provided
{
rhomolar_guess = solver_rho_Tp_SRK(T, p, phase);
if (phase == iphase_gas && rhomolar_guess < 0)// If the guess is bad, probably high temperature, use ideal gas
{
rhomolar_guess = p/(gas_constant()*T);
@@ -1367,7 +1367,7 @@ long double HelmholtzEOSMixtureBackend::solver_rho_Tp_SRK(long double T, long do
long double m_j = 0.480+1.574*accentric_j-0.176*pow(accentric_j, 2);
long double a_j = 0.42747*pow(R_u*Tcj,2)/pcj*pow(1+m_j*(1-sqrt(T/Tcj)),2);
if (i == j){
k_ij = 0;
}
@@ -1394,12 +1394,12 @@ long double HelmholtzEOSMixtureBackend::solver_rho_Tp_SRK(long double T, long do
long double rhomolar0 = p/(Z0*R_u*T);
long double rhomolar1 = p/(Z1*R_u*T);
long double rhomolar2 = p/(Z2*R_u*T);
// Check if only one solution is positive, return the solution if that is the case
if (rhomolar0 > 0 && rhomolar1 <= 0 && rhomolar2 <= 0){ return rhomolar0; }
if (rhomolar0 <= 0 && rhomolar1 > 0 && rhomolar2 <= 0){ return rhomolar1; }
if (rhomolar0 <= 0 && rhomolar1 <= 0 && rhomolar2 > 0){ return rhomolar2; }
if (rhomolar0 <= 0 && rhomolar1 <= 0 && rhomolar2 > 0){ return rhomolar2; }
switch(phase)
{
case iphase_liquid:
@@ -1414,7 +1414,7 @@ long double HelmholtzEOSMixtureBackend::solver_rho_Tp_SRK(long double T, long do
}
long double HelmholtzEOSMixtureBackend::calc_pressure(void)
{
{
// Calculate the reducing parameters
_delta = _rhomolar/_reducing.rhomolar;
_tau = _reducing.T/_T;
@@ -1610,7 +1610,7 @@ SimpleState HelmholtzEOSMixtureBackend::calc_reducing_state_nocache(const std::v
SimpleState reducing;
if (is_pure_or_pseudopure){
reducing = components[0]->pEOS->reduce;
}
else{
reducing.T = Reducing.p->Tr(mole_fractions);
@@ -1657,13 +1657,13 @@ long double HelmholtzEOSMixtureBackend::calc_alphar_deriv_nocache(const int nTau
else if (nTau == 3 && nDelta == 0){
return components[0]->pEOS->d3alphar_dTau3(tau, delta);
}
else
else
{
throw ValueError();
}
}
else{
std::size_t N = mole_fractions.size();
long double summer = 0;
if (nTau == 0 && nDelta == 0){
@@ -1706,13 +1706,13 @@ long double HelmholtzEOSMixtureBackend::calc_alphar_deriv_nocache(const int nTau
for (unsigned int i = 0; i < N; ++i){ summer += mole_fractions[i]*components[i]->pEOS->d3alphar_dTau3(tau, delta); }
return summer + pExcess.d3alphar_dTau3(tau, delta);
}*/
else
else
{
throw ValueError();
}
}
}
long double HelmholtzEOSMixtureBackend::calc_alpha0_deriv_nocache(const int nTau, const int nDelta, const std::vector<long double> &mole_fractions,
long double HelmholtzEOSMixtureBackend::calc_alpha0_deriv_nocache(const int nTau, const int nDelta, const std::vector<long double> &mole_fractions,
const long double &tau, const long double &delta, const long double &Tr, const long double &rhor)
{
if (is_pure_or_pseudopure)
@@ -1747,7 +1747,7 @@ long double HelmholtzEOSMixtureBackend::calc_alpha0_deriv_nocache(const int nTau
else if (nTau == 3 && nDelta == 0){
return components[0]->pEOS->d3alpha0_dTau3(tau, delta);
}
else
else
{
throw ValueError();
}
@@ -1757,31 +1757,31 @@ long double HelmholtzEOSMixtureBackend::calc_alpha0_deriv_nocache(const int nTau
std::size_t N = mole_fractions.size();
long double summer = 0;
long double tau_i, delta_i, rho_ci, T_ci;
for (unsigned int i = 0; i < N; ++i){
rho_ci = components[i]->pEOS->reduce.rhomolar;
for (unsigned int i = 0; i < N; ++i){
rho_ci = components[i]->pEOS->reduce.rhomolar;
T_ci = components[i]->pEOS->reduce.T;
tau_i = T_ci*tau/Tr;
delta_i = delta*rhor/rho_ci;
if (nTau == 0 && nDelta == 0){
summer += mole_fractions[i]*(components[i]->pEOS->base0(tau_i, delta_i)+log(mole_fractions[i]));
if (nTau == 0 && nDelta == 0){
summer += mole_fractions[i]*(components[i]->pEOS->base0(tau_i, delta_i)+log(mole_fractions[i]));
}
else if (nTau == 0 && nDelta == 1){
summer += mole_fractions[i]*rhor/rho_ci*components[i]->pEOS->dalpha0_dDelta(tau_i, delta_i);
summer += mole_fractions[i]*rhor/rho_ci*components[i]->pEOS->dalpha0_dDelta(tau_i, delta_i);
}
else if (nTau == 1 && nDelta == 0){
summer += mole_fractions[i]*T_ci/Tr*components[i]->pEOS->dalpha0_dTau(tau_i, delta_i);
summer += mole_fractions[i]*T_ci/Tr*components[i]->pEOS->dalpha0_dTau(tau_i, delta_i);
}
else if (nTau == 0 && nDelta == 2){
summer += mole_fractions[i]*pow(rhor/rho_ci,2)*components[i]->pEOS->d2alpha0_dDelta2(tau_i, delta_i);
summer += mole_fractions[i]*pow(rhor/rho_ci,2)*components[i]->pEOS->d2alpha0_dDelta2(tau_i, delta_i);
}
else if (nTau == 1 && nDelta == 1){
summer += mole_fractions[i]*rhor/rho_ci*T_ci/Tr*components[i]->pEOS->d2alpha0_dDelta_dTau(tau_i, delta_i);
summer += mole_fractions[i]*rhor/rho_ci*T_ci/Tr*components[i]->pEOS->d2alpha0_dDelta_dTau(tau_i, delta_i);
}
else if (nTau == 2 && nDelta == 0){
summer += mole_fractions[i]*pow(T_ci/Tr,2)*components[i]->pEOS->d2alpha0_dTau2(tau_i, delta_i);
summer += mole_fractions[i]*pow(T_ci/Tr,2)*components[i]->pEOS->d2alpha0_dTau2(tau_i, delta_i);
}
else
else
{
throw ValueError();
}
@@ -1944,7 +1944,7 @@ long double HelmholtzEOSMixtureBackend::mixderiv_d_ndalphardni_dxj__constT_V_xi(
{
// Gernert 3.118
return mixderiv_d_ndalphardni_dxj__constdelta_tau_xi(i,j)
+ mixderiv_ddelta_dxj__constT_V_xi(j)*mixderiv_d_ndalphardni_dDelta(i)
+ mixderiv_ddelta_dxj__constT_V_xi(j)*mixderiv_d_ndalphardni_dDelta(i)
+ mixderiv_dtau_dxj__constT_V_xi(j)*mixderiv_d_ndalphardni_dTau(i);
}
long double HelmholtzEOSMixtureBackend::mixderiv_ddelta_dxj__constT_V_xi(int j)
@@ -2029,7 +2029,7 @@ long double HelmholtzEOSMixtureBackend::mixderiv_d_ndalphardni_dxj__constdelta_t
return line1+line2+line3+line4+line5;
}
long double HelmholtzEOSMixtureBackend::mixderiv_nd2nalphardnidnj__constT_V(int i, int j)
{
{
double line0 = mixderiv_ndalphar_dni__constT_V_nj(j); // First term from 7.46
double line1 = mixderiv_d_ndalphardni_dDelta(i)*mixderiv_nddeltadni__constT_V_nj(j);
double line2 = mixderiv_d_ndalphardni_dTau(i)*mixderiv_ndtaudni__constT_V_nj(j);

2
src/Backends/Helmholtz/HelmholtzEOSMixtureBackend.h
View File

@@ -28,7 +28,7 @@ protected:
SimpleState _crit;
int imposed_phase_index;
public:
HelmholtzEOSMixtureBackend(){SatL = NULL; SatV = NULL; imposed_phase_index = -1;};
HelmholtzEOSMixtureBackend(){imposed_phase_index = -1;};
HelmholtzEOSMixtureBackend(std::vector<CoolPropFluid*> components, bool generate_SatL_and_SatV = true);
HelmholtzEOSMixtureBackend(std::vector<std::string> &component_names, bool generate_SatL_and_SatV = true);
virtual ~HelmholtzEOSMixtureBackend(){};