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Finished normalization of the gas constants

Browse Source 
Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
This commit is contained in:
Ian Bell
2014-09-08 17:34:05 +02:00
parent b9308f5871
commit edf39c7387
10 changed files with 224 additions and 43 deletions
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42
src/Backends/Helmholtz/Configuration.cpp Normal file
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@@ -0,0 +1,42 @@
#include "Configuration.h"
namespace CoolProp
{
//
//Configuration::Configuration()
//{
//}
//
//Configuration::~Configuration()
//{
//}
bool get_config_bool(configuration_keys key)
{
switch(key)
{
case NORMALIZE_GAS_CONSTANTS:
return true;
default:
throw ValueError(format("%d is invalid key to get_config_bool",key));
}
}
double get_config_double(configuration_keys key)
{
switch(key)
{
default:
throw ValueError(format("%d is invalid key to get_config_double",key));
}
}
std::string get_config_string(configuration_keys key)
{
switch(key)
{
default:
throw ValueError(format("%d is invalid key to get_config_string",key));
}
}
}

27
src/Backends/Helmholtz/Configuration.h Normal file
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@@ -0,0 +1,27 @@
#ifndef COOLPROP_CONFIGURATION
#define COOLPROP_CONFIGURATION
#include "Exceptions.h"
#include "CoolPropTools.h"
enum configuration_keys {NORMALIZE_GAS_CONSTANTS};
namespace CoolProp
{
//
//class Configuration
//{
//public:
// Configuration();
// ~Configuration();
//
//};
/// Return the value of a boolean key from the configuration
bool get_config_bool(configuration_keys key);
double get_config_double(configuration_keys key);
std::string get_config_string(configuration_keys key);
}
#endif // COOLPROP_CONFIGURATION

108
src/Backends/Helmholtz/Fluids/FluidLibrary.h
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@@ -8,6 +8,7 @@
#include <map>
#include <algorithm>
#include "../Configuration.h"
namespace CoolProp{
@@ -49,8 +50,10 @@ protected:
assert(n.size() == d.size());
assert(n.size() == t.size());
assert(n.size() == l.size());
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
}
EOS.alphar.GenExp.add_Power(n,d,t,l);
}
else if (!type.compare("ResidualHelmholtzGaussian"))
@@ -69,8 +72,10 @@ protected:
assert(n.size() == beta.size());
assert(n.size() == gamma.size());
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
}
EOS.alphar.GenExp.add_Gaussian(n,d,t,eta,epsilon,beta,gamma);
}
@@ -93,8 +98,10 @@ protected:
assert(n.size() == C.size());
assert(n.size() == D.size());
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
}
EOS.alphar.NonAnalytic = ResidualHelmholtzNonAnalytic(n,a,b,beta,A,B,C,D);
}
@@ -110,8 +117,10 @@ protected:
assert(n.size() == l.size());
assert(n.size() == m.size());
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
}
EOS.alphar.GenExp.add_Lemmon2005(n,d,t,l,m);
}
@@ -127,8 +136,10 @@ protected:
assert(n.size() == g.size());
assert(n.size() == l.size());
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
}
EOS.alphar.GenExp.add_Exponential(n,d,t,g,l);
}
@@ -140,8 +151,11 @@ protected:
long double epsilonbar = cpjson::get_double(contribution,"epsilonbar");
long double vbarn = cpjson::get_double(contribution,"vbarn");
long double kappabar = cpjson::get_double(contribution,"kappabar");
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
a *= EOS.R_u/R_u_CODATA;
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
a *= EOS.R_u/R_u_CODATA;
}
EOS.alphar.SAFT = ResidualHelmholtzSAFTAssociating(a,m,epsilonbar,vbarn,kappabar);
}
else
@@ -171,6 +185,13 @@ protected:
if (EOS.alpha0.Lead.is_enabled() == true){throw ValueError("Cannot add ");}
long double a1 = cpjson::get_double(contribution,"a1");
long double a2 = cpjson::get_double(contribution,"a2");
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
a1 *= EOS.R_u/R_u_CODATA;
a2 *= EOS.R_u/R_u_CODATA;
}
EOS.alpha0.Lead = IdealHelmholtzLead(a1, a2);
}
else if (!type.compare("IdealGasHelmholtzPower"))
@@ -178,12 +199,24 @@ protected:
if (EOS.alpha0.Power.is_enabled() == true){throw ValueError("Cannot add ");}
std::vector<long double> n = cpjson::get_long_double_array(contribution["n"]);
std::vector<long double> t = cpjson::get_long_double_array(contribution["t"]);
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
}
EOS.alpha0.Power = IdealHelmholtzPower(n, t);
}
else if (!type.compare("IdealGasHelmholtzLogTau"))
{
if (EOS.alpha0.LogTau.is_enabled() == true){throw ValueError("Cannot add ");}
long double a = cpjson::get_double(contribution,"a");
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
a *= EOS.R_u/R_u_CODATA;
}
EOS.alpha0.LogTau = IdealHelmholtzLogTau(a);
}
else if (!type.compare("IdealGasHelmholtzPlanckEinsteinGeneralized"))
@@ -194,6 +227,12 @@ protected:
std::vector<long double> c = cpjson::get_long_double_array(contribution["c"]);
std::vector<long double> d = cpjson::get_long_double_array(contribution["d"]);
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
}
if (EOS.alpha0.PlanckEinstein.is_enabled() == true){
EOS.alpha0.PlanckEinstein.extend(n, t, c, d);
}
@@ -210,6 +249,12 @@ protected:
for (std::size_t i = 0; i < t.size(); ++i){ t[i] *= -1;}
std::vector<long double> c(n.size(), 1);
std::vector<long double> d(c.size(), -1);
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
}
if (EOS.alpha0.PlanckEinstein.is_enabled() == true){
EOS.alpha0.PlanckEinstein.extend(n, t, c, d);
}
@@ -223,6 +268,11 @@ protected:
long double cp_over_R = cpjson::get_double(contribution, "cp_over_R");
long double Tc = cpjson::get_double(contribution, "Tc");
long double T0 = cpjson::get_double(contribution, "T0");
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
cp_over_R *= EOS.R_u/R_u_CODATA;
}
EOS.alpha0.CP0Constant = IdealHelmholtzCP0Constant(cp_over_R, Tc, T0);
}
else if (!type.compare("IdealGasHelmholtzCP0PolyT"))
@@ -232,6 +282,12 @@ protected:
std::vector<long double> t = cpjson::get_long_double_array(contribution["t"]);
long double Tc = cpjson::get_double(contribution, "Tc");
long double T0 = cpjson::get_double(contribution, "T0");
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < c.size(); ++i){ c[i] *= EOS.R_u/R_u_CODATA; }
}
EOS.alpha0.CP0PolyT = IdealHelmholtzCP0PolyT(c, t, Tc, T0);
}
else if (!type.compare("IdealGasHelmholtzCP0AlyLee"))
@@ -244,6 +300,11 @@ protected:
// Take the constant term if nonzero and set it as a polyT term
if (std::abs(constants[0]) > 1e-14){
std::vector<long double> c(1,constants[0]), t(1,0);
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < c.size(); ++i){ c[i] *= EOS.R_u/R_u_CODATA; }
}
if (EOS.alpha0.CP0PolyT.is_enabled() == true){
EOS.alpha0.CP0PolyT.extend(c,t);
}
@@ -268,6 +329,11 @@ protected:
c.push_back(1);
d.push_back(1);
}
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
for (std::size_t i = 0; i < n.size(); ++i){ n[i] *= EOS.R_u/R_u_CODATA; }
}
if (EOS.alpha0.PlanckEinstein.is_enabled() == true){
EOS.alpha0.PlanckEinstein.extend(n, t, c, d);
@@ -281,6 +347,13 @@ protected:
long double a1 = cpjson::get_double(contribution, "a1");
long double a2 = cpjson::get_double(contribution, "a2");
std::string reference = cpjson::get_string(contribution, "reference");
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Normalize the gas constants to yield the same (CODATA 2010) value for all fluids - needed for mixtures
a1 *= EOS.R_u/R_u_CODATA;
a2 *= EOS.R_u/R_u_CODATA;
}
EOS.alpha0.EnthalpyEntropyOffset = IdealHelmholtzEnthalpyEntropyOffset(a1, a2, reference);
}
else
@@ -386,10 +459,13 @@ protected:
// Validate the equation of state that was just created
EOS.validate();
// Set the universal gas constant to the CODATA 2010 value for consistency.
// This must be the LAST step since the loaded value is used to adjust the coefficients n_i
EOS.R_u = R_u_CODATA;
// Set the specified gas constant value - this is saved separately so that if normalization is applied, this term can be used in pressure and enthalpy terms
EOS.R_u_specified = EOS.R_u;
if (get_config_bool(NORMALIZE_GAS_CONSTANTS)){
// Set the universal gas constant to the CODATA 2010 value for consistency.
// This must be the LAST step since the loaded value is used to adjust the coefficients
EOS.R_u = R_u_CODATA;
}
}
/// Parse the list of possible equations of state

28
src/Backends/Helmholtz/HelmholtzEOSMixtureBackend.cpp
View File

@@ -172,6 +172,15 @@ long double HelmholtzEOSMixtureBackend::calc_gas_constant(void)
}
return summer;
}
long double HelmholtzEOSMixtureBackend::calc_gas_constant_specified(void)
{
double summer = 0;
for (unsigned int i = 0; i < components.size(); ++i)
{
summer += mole_fractions[i]*components[i]->pEOS->R_u_specified;
}
return summer;
}
long double HelmholtzEOSMixtureBackend::calc_molar_mass(void)
{
double summer = 0;
@@ -1288,7 +1297,8 @@ void get_dT_drho(HelmholtzEOSMixtureBackend *HEOS, parameters index, long double
dT_dtau = -pow(T, 2)/Tr,
R = HEOS->gas_constant(),
delta = rho/rhor,
tau = Tr/T;
tau = Tr/T,
R_u_ratio = HEOS->calc_gas_constant_specified()/HEOS->gas_constant(); // This term falls out as a result of normalizing gas constants - it is R_u given by EOS divided by CODATA value;
switch (index)
{
@@ -1299,9 +1309,9 @@ void get_dT_drho(HelmholtzEOSMixtureBackend *HEOS, parameters index, long double
case iP:
{
// dp/drho|T
drho = R*T*(1+2*delta*HEOS->dalphar_dDelta()+pow(delta, 2)*HEOS->d2alphar_dDelta2());
drho = R*T*(R_u_ratio+2*delta*HEOS->dalphar_dDelta()+pow(delta, 2)*HEOS->d2alphar_dDelta2());
// dp/dT|rho
dT = rho*R*(1+delta*HEOS->dalphar_dDelta() - tau*delta*HEOS->d2alphar_dDelta_dTau());
dT = rho*R*(R_u_ratio+delta*HEOS->dalphar_dDelta() - tau*delta*HEOS->d2alphar_dDelta_dTau());
break;
}
case iHmolar:
@@ -1789,9 +1799,10 @@ long double HelmholtzEOSMixtureBackend::calc_pressure(void)
// Calculate derivative if needed
long double dar_dDelta = dalphar_dDelta();
long double R_u = gas_constant();
long double R_u_ratio = calc_gas_constant_specified()/R_u; // This term falls out as a result of normalizing gas constants - it is R_u given by EOS divided by CODATA value
// Get pressure
_p = _rhomolar*R_u*_T*(1+_delta.pt()*dar_dDelta);
_p = _rhomolar*R_u*_T*(R_u_ratio + _delta.pt()*dar_dDelta);
//std::cout << format("p: %13.12f %13.12f %10.9f %10.9f %10.9f %10.9f %g\n",_T,_rhomolar,_tau,_delta,mole_fractions[0],dar_dDelta,_p);
//if (_p < 0){
@@ -1834,9 +1845,10 @@ long double HelmholtzEOSMixtureBackend::calc_hmolar(void)
long double dar_dTau = dalphar_dTau();
long double dar_dDelta = dalphar_dDelta();
long double R_u = gas_constant();
long double R_u_ratio = calc_gas_constant_specified()/R_u; // This term falls out as a result of normalizing gas constants - it is R_u given by EOS divided by CODATA value
// Get molar enthalpy
_hmolar = R_u*_T*(1 + _tau.pt()*(da0_dTau+dar_dTau) + _delta.pt()*dar_dDelta);
_hmolar = R_u*_T*(R_u_ratio + _tau.pt()*(da0_dTau+dar_dTau) + _delta.pt()*dar_dDelta);
return static_cast<long double>(_hmolar);
}
@@ -1960,9 +1972,10 @@ long double HelmholtzEOSMixtureBackend::calc_cpmolar(void)
long double d2ar_dDelta_dTau = d2alphar_dDelta_dTau();
long double d2ar_dTau2 = d2alphar_dTau2();
long double R_u = static_cast<double>(_gas_constant);
long double R_u_ratio = calc_gas_constant_specified()/R_u; // This term falls out as a result of normalizing gas constants - it is R_u given by EOS divided by CODATA value
// Get cp
_cpmolar = R_u*(-pow(_tau.pt(),2)*(d2ar_dTau2 + d2a0_dTau2)+pow(1+_delta.pt()*dar_dDelta-_delta.pt()*_tau.pt()*d2ar_dDelta_dTau,2)/(1+2*_delta.pt()*dar_dDelta+pow(_delta.pt(),2)*d2ar_dDelta2));
_cpmolar = R_u*(-pow(_tau.pt(),2)*(d2ar_dTau2 + d2a0_dTau2)+pow(R_u_ratio+_delta.pt()*dar_dDelta-_delta.pt()*_tau.pt()*d2ar_dDelta_dTau,2)/(R_u_ratio+2*_delta.pt()*dar_dDelta+pow(_delta.pt(),2)*d2ar_dDelta2));
return static_cast<double>(_cpmolar);
}
@@ -2017,9 +2030,10 @@ long double HelmholtzEOSMixtureBackend::calc_gibbsmolar(void)
long double a0 = alpha0();
long double dar_dDelta = dalphar_dDelta();
long double R_u = gas_constant();
long double R_u_ratio = calc_gas_constant_specified()/R_u; // This term falls out as a result of normalizing gas constants - it is R_u given by EOS divided by CODATA value
// Get molar gibbs function
_gibbsmolar = R_u*_T*(1 + a0 + ar +_delta.pt()*dar_dDelta);
_gibbsmolar = R_u*_T*(R_u_ratio + a0 + ar +_delta.pt()*dar_dDelta);
return static_cast<long double>(_gibbsmolar);
}

1
src/Backends/Helmholtz/HelmholtzEOSMixtureBackend.h
View File

@@ -112,6 +112,7 @@ public:
long double calc_molar_mass(void);
long double calc_gas_constant(void);
long double calc_gas_constant_specified(void);
long double calc_Bvirial(void);
long double calc_Cvirial(void);

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

@@ -97,7 +97,7 @@ class MixtureDerivatives{
*
* From Witzke, Eqn. 3.14
* \f[
* \left(\frac{\partial \ln(f_i)}{\partial T} \right)_{\rho,x} = -\frac{1}{T}\left(1-\tau\alphar^r_{\tau}-\tau n\left(\frac{\partial\left(\frac{\partial \alpha^r}{\partial n_i}\right)_{T,V,n_j}}{\partial \tau}\right)_{\delta,\bar x} \right)
* \left(\frac{\partial \ln(f_i)}{\partial T} \right)_{\rho,x} = -\frac{1}{T}\left(1-\tau\alpha^r_{\tau}-\tau n\left(\frac{\partial\left(\frac{\partial \alpha^r}{\partial n_i}\right)_{T,V,n_j}}{\partial \tau}\right)_{\delta,\bar x} \right)
* \f]
* @param HEOS The HelmholtzEOSMixtureBackend to be used
*/
@@ -107,7 +107,7 @@ class MixtureDerivatives{
*
* From Witzke, Eqn. 3.15
* \f[
* \left(\frac{\partial \ln(f_i)}{\partial \rho} \right)_{T, x} = \frac{1}{\rho}\left(1+\delta\alphar^r_{\delta}+\delta n\left(\frac{\partial\left(\frac{\partial \alpha^r}{\partial n_i}\right)_{T,V,n_j}}{\partial \delta}\right)_{\tau,\bar x} \right)
* \left(\frac{\partial \ln(f_i)}{\partial \rho} \right)_{T, x} = \frac{1}{\rho}\left(1+\delta\alpha^r_{\delta}+\delta n\left(\frac{\partial\left(\frac{\partial \alpha^r}{\partial n_i}\right)_{T,V,n_j}}{\partial \delta}\right)_{\tau,\bar x} \right)
* \f]
* @param HEOS The HelmholtzEOSMixtureBackend to be used
*/

18
src/Backends/Helmholtz/ReducingFunctions.h
View File

@@ -53,16 +53,28 @@ public:
/** \brief GERG 2004 Monograph equation 7.56:
*
* If the \f$x_i\f$ are all independent
* \f[
* \left(\frac{\partial}{\partial x_j}\left(n\left(\frac{\partial T_r}{\partial n_i} \right)_{n_j}\right)\right)_{x_i} = \left(\frac{\partial^2T_r}{\partial x_j \partial x_i}\right)-\left(\frac{\partial T_r}{\partial x_j}\right)_{x_i}-\sum_{k=1}^Nx_k\left(\frac{\partial^2T_r}{\partial x_j \partial x_k}\right)
* \left(\frac{\partial}{\partial x_j}\left(n\left(\frac{\partial T_r}{\partial n_i} \right)_{n_j}\right)\right)_{x_i} = \left(\frac{\partial^2T_r}{\partial x_j \partial x_i}\right)-\left(\frac{\partial T_r}{\partial x_j}\right)_{x_i}-\sum_{k=0}^{N-1}x_k\left(\frac{\partial^2T_r}{\partial x_j \partial x_k}\right)
* \f]
* If \f$x_N = 1-\sum x_i\f$:
* \f[
* \left(\frac{\partial}{\partial x_j}\left(n\left(\frac{\partial T_r}{\partial n_i} \right)_{n_j}\right)\right)_{x_i} = \left(\frac{\partial^2T_r}{\partial x_j \partial x_i}\right)-\left(\frac{\partial T_r}{\partial x_j}\right)_{x_i}-\sum_{k=0}^{N-1}x_k\left(\frac{\partial^2T_r}{\partial x_j \partial x_k}\right)
* \f]
*/
long double d_ndTrdni_dxj__constxi(const std::vector<long double> &x, std::size_t i, std::size_t j, x_N_dependency_flag xN_flag);
/** \brief GERG 2004 Monograph equation 7.55:
/** \brief
*
* GERG 2004 Monograph equation 7.55:
* If the \f$x_i\f$ are all independent
* \f[
* \left(\frac{\partial}{\partial x_j}\left(n\left(\frac{\partial \rho_r}{\partial n_i} \right)_{n_j}\right)\right)_{x_i} = \left(\frac{\partial^2\rho_r}{\partial x_j \partial x_i}\right)-\left(\frac{\partial \rho_r}{\partial x_j}\right)_{x_i}-\sum_{k=1}^Nx_k\left(\frac{\partial^2\rho_r}{\partial x_j \partial x_k}\right)
* \left(\frac{\partial}{\partial x_j}\left(n\left(\frac{\partial \rho_r}{\partial n_i} \right)_{n_j}\right)\right)_{x_i} = \left(\frac{\partial^2\rho_r}{\partial x_j \partial x_i}\right)-\left(\frac{\partial \rho_r}{\partial x_j}\right)_{x_i}-\sum_{k=0}^{N-1}x_k\left(\frac{\partial^2\rho_r}{\partial x_j \partial x_k}\right)
* \f]
* Gernert, JPCRD, 2014, A28
* If \f$x_N = 1-\sum x_i\f$:
* \f[
* \left(\frac{\partial}{\partial x_j}\left(n\left(\frac{\partial \rho_r}{\partial n_i} \right)_{n_j}\right)\right)_{x_i} = \left(\frac{\partial^2\rho_r}{\partial x_j \partial x_i}\right)-\left(\frac{\partial \rho_r}{\partial x_j}\right)_{x_i}-\sum_{k=0}^{N-2}x_k\left(\frac{\partial^2\rho_r}{\partial x_j \partial x_k}\right)
* \f]
*/
long double d_ndrhorbardni_dxj__constxi(const std::vector<long double> &x, std::size_t i, std::size_t j, x_N_dependency_flag xN_flag);

25
src/Backends/Helmholtz/TransportRoutines.cpp
View File

@@ -247,7 +247,7 @@ long double TransportRoutines::viscosity_water_hardcoded(HelmholtzEOSMixtureBack
{
double x_mu=0.068,qc=1/1.9,qd=1/1.1,nu=0.630,gamma=1.239,zeta_0=0.13,LAMBDA_0=0.06,Tbar_R=1.5, pstar, Tstar, rhostar;
double delta,tau,mubar_0,mubar_1,mubar_2,drhodp,drhodp_R,DeltaChibar,zeta,w,L,Y,psi_D,Tbar,rhobar;
double drhobar_dpbar,drhobar_dpbar_R,R_Water;
double drhobar_dpbar,drhobar_dpbar_R,R_Water,R_spec,R_ratio;
pstar = 22.064e6; // [Pa]
Tstar = 647.096; // [K]
@@ -255,6 +255,8 @@ long double TransportRoutines::viscosity_water_hardcoded(HelmholtzEOSMixtureBack
Tbar = HEOS.T()/Tstar;
rhobar = HEOS.rhomass()/rhostar;
R_Water = HEOS.gas_constant()/HEOS.molar_mass(); // [J/kg/K]
R_spec = HEOS.calc_gas_constant_specified()/HEOS.molar_mass(); //[J/kg/K]
R_ratio = R_spec/R_Water;
// Dilute and finite gas portions
visc_Helper(Tbar, rhobar, &mubar_0, &mubar_1);
@@ -265,11 +267,11 @@ long double TransportRoutines::viscosity_water_hardcoded(HelmholtzEOSMixtureBack
delta=rhobar;
// "Normal" calculation
tau=1/Tbar;
drhodp=1/(R_Water*HEOS.T()*(1+2*delta*HEOS.dalphar_dDelta()+delta*delta*HEOS.d2alphar_dDelta2()));
drhodp=1/(R_Water*HEOS.T()*(R_ratio+2*delta*HEOS.dalphar_dDelta()+delta*delta*HEOS.d2alphar_dDelta2()));
drhobar_dpbar = pstar/rhostar*drhodp;
// "Reducing" calculation
tau=1/Tbar_R;
drhodp_R=1/(R_Water*Tbar_R*Tstar*(1+2*rhobar*HEOS.calc_alphar_deriv_nocache(0,1,HEOS.mole_fractions,tau,delta)+delta*delta*HEOS.calc_alphar_deriv_nocache(0,2,HEOS.mole_fractions,tau, delta)));
drhodp_R=1/(R_Water*Tbar_R*Tstar*(R_ratio+2*rhobar*HEOS.calc_alphar_deriv_nocache(0,1,HEOS.mole_fractions,tau,delta)+delta*delta*HEOS.calc_alphar_deriv_nocache(0,2,HEOS.mole_fractions,tau, delta)));
drhobar_dpbar_R = pstar/rhostar*drhodp_R;
DeltaChibar=rhobar*(drhobar_dpbar-drhobar_dpbar_R*Tbar_R/Tbar);
@@ -627,7 +629,8 @@ long double TransportRoutines::conductivity_critical_simplified_Olchowy_Sengers(
Pcrit = HEOS.get_reducing_state().p, // [Pa]
Tref, // [K]
cp,cv,delta,num,zeta,mu,pi=M_PI,
OMEGA_tilde,OMEGA_tilde0;
OMEGA_tilde,OMEGA_tilde0,
R_ratio = HEOS.calc_gas_constant_specified()/HEOS.gas_constant();
if (ValidNumber(data.T_ref))
Tref = data.T_ref;
@@ -636,11 +639,11 @@ long double TransportRoutines::conductivity_critical_simplified_Olchowy_Sengers(
delta = HEOS.delta();
double dp_drho = HEOS.gas_constant()*HEOS.T()*(1+2*delta*HEOS.dalphar_dDelta()+delta*delta*HEOS.d2alphar_dDelta2());
double dp_drho = HEOS.gas_constant()*HEOS.T()*(R_ratio+2*delta*HEOS.dalphar_dDelta()+delta*delta*HEOS.d2alphar_dDelta2());
double X = Pcrit/pow(rhoc,2)*HEOS.rhomolar()/dp_drho;
double tau_ref = Tc/Tref;
double dp_drho_ref = HEOS.gas_constant()*Tref*(1+2*delta*HEOS.calc_alphar_deriv_nocache(0,1,HEOS.mole_fractions,tau_ref,delta)+delta*delta*HEOS.calc_alphar_deriv_nocache(0,2,HEOS.mole_fractions,tau_ref,delta));
double dp_drho_ref = HEOS.gas_constant()*Tref*(R_ratio+2*delta*HEOS.calc_alphar_deriv_nocache(0,1,HEOS.mole_fractions,tau_ref,delta)+delta*delta*HEOS.calc_alphar_deriv_nocache(0,2,HEOS.mole_fractions,tau_ref,delta));
double Xref = Pcrit/pow(rhoc, 2)*HEOS.rhomolar()/dp_drho_ref*Tref/HEOS.T();
num = X - Xref;
@@ -756,9 +759,13 @@ long double TransportRoutines::conductivity_hardcoded_water(HelmholtzEOSMixtureB
double Tstar=647.096,rhostar=322,pstar=22064000,lambdastar=1e-3,mustar=1e-6;
double xi;
int i,j;
double R = HEOS.gas_constant()/HEOS.molar_mass(); // [J/kg/K]
double R_spec = 461.51805; //[J/kg/K]
double R_ratio = R_spec/R;
Tbar = HEOS.T()/Tstar;
rhobar = HEOS.keyed_output(CoolProp::iDmass)/rhostar;
double rho = HEOS.keyed_output(CoolProp::iDmass);
// Dilute gas contribution
lambdabar_0 = sqrt(Tbar)/(2.443221e-3+1.323095e-2/Tbar+6.770357e-3/pow(Tbar,2)-3.454586e-3/pow(Tbar,3)+4.096266e-4/pow(Tbar,4));
@@ -773,11 +780,11 @@ long double TransportRoutines::conductivity_hardcoded_water(HelmholtzEOSMixtureB
lambdabar_1=exp(rhobar*sum);
double nu=0.630,GAMMA =177.8514,gamma=1.239,xi_0=0.13,Lambda_0=0.06,Tr_bar=1.5,
qd_bar=1/0.4,pi=3.141592654, delta = HEOS.delta(), R=461.51805;//J/kg/K
qd_bar=1/0.4,pi=3.141592654, delta = HEOS.delta();
double drhodp = 1/(R*HEOS.T()*(1+2*rhobar*HEOS.dalphar_dDelta()+rhobar*rhobar*HEOS.d2alphar_dDelta2()));
double drhodp = 1/(R*HEOS.T()*(R_ratio+2*rhobar*HEOS.dalphar_dDelta()+rhobar*rhobar*HEOS.d2alphar_dDelta2()));
double drhobar_dpbar = pstar/rhostar*drhodp;
double drhodp_Trbar = 1/(R*Tr_bar*Tstar*(1+2*rhobar*HEOS.calc_alphar_deriv_nocache(0,1,HEOS.mole_fractions,1/Tr_bar,delta)+delta*delta*HEOS.calc_alphar_deriv_nocache(0,2,HEOS.mole_fractions,1/Tr_bar,delta)));
double drhodp_Trbar = 1/(R*Tr_bar*Tstar*(R_ratio+2*rhobar*HEOS.calc_alphar_deriv_nocache(0,1,HEOS.mole_fractions,1/Tr_bar,delta)+delta*delta*HEOS.calc_alphar_deriv_nocache(0,2,HEOS.mole_fractions,1/Tr_bar,delta)));
double drhobar_dpbar_Trbar = pstar/rhostar*drhodp_Trbar;
double cp = HEOS.cpmass(); // [J/kg/K]
double cv = HEOS.cvmass(); // [J/kg/K]

11
src/Backends/Helmholtz/VLERoutines.cpp
View File

@@ -565,7 +565,8 @@ void SaturationSolvers::saturation_T_pure_Akasaka(HelmholtzEOSMixtureBackend &HE
HEOS.calc_reducing_state();
const SimpleState & reduce = HEOS.get_reducing_state();
long double R_u = HEOS.calc_gas_constant();
long double R_u = HEOS.gas_constant();
long double R_ratio = HEOS.calc_gas_constant_specified()/R_u;
shared_ptr<HelmholtzEOSMixtureBackend> SatL = HEOS.SatL,
SatV = HEOS.SatV;
@@ -640,10 +641,10 @@ void SaturationSolvers::saturation_T_pure_Akasaka(HelmholtzEOSMixtureBackend &HE
long double d2alphar_ddelta2L = SatL->d2alphar_dDelta2();
long double d2alphar_ddelta2V = SatV->d2alphar_dDelta2();
JL = deltaL * (1 + deltaL*dalphar_ddeltaL);
JV = deltaV * (1 + deltaV*dalphar_ddeltaV);
KL = deltaL*dalphar_ddeltaL + alpharL + log(deltaL);
KV = deltaV*dalphar_ddeltaV + alpharV + log(deltaV);
JL = deltaL * (R_ratio + deltaL*dalphar_ddeltaL);
JV = deltaV * (R_ratio + deltaV*dalphar_ddeltaV);
KL = deltaL*dalphar_ddeltaL + alpharL + log(deltaL)*R_ratio;
KV = deltaV*dalphar_ddeltaV + alpharV + log(deltaV)*R_ratio;
PL = R_u*reduce.rhomolar*T*JL;
PV = R_u*reduce.rhomolar*T*JV;