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Clears the cached transport properties and fixes #394

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This commit is contained in:
Jorrit Wronski
2015-01-07 12:16:00 +01:00
parent 83a670a4fa
commit 5ff28fc302
2 changed files with 102 additions and 86 deletions
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29
src/AbstractState.cpp
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@@ -121,7 +121,7 @@ bool AbstractState::clear() {
this->_gibbsmolar.clear();
this->_logp.clear();
this->_logrhomolar.clear();
///// Smoothing values
//this->rhospline = -_HUGE;
//this->dsplinedp = -_HUGE;
@@ -154,6 +154,11 @@ bool AbstractState::clear() {
this->_d2alphar_dDelta_dTau_lim.clear();
this->_d3alphar_dDelta2_dTau_lim.clear();
/// Transport properties
this->_viscosity.clear();
this->_conductivity.clear();
this->_surface_tension.clear();
return true;
}
double AbstractState::trivial_keyed_output(int key)
@@ -419,7 +424,7 @@ void get_dT_drho(AbstractState &AS, parameters index, long double &dT, long doub
R = AS.gas_constant(),
delta = rho/rhor,
tau = Tr/T;
switch (index)
{
case iT:
@@ -497,9 +502,9 @@ void get_dT_drho_second_derivatives(AbstractState &AS, int index, long double &d
delta = rho/rhor,
tau = Tr/T;
// Here we use T and rho as independent variables since derivations are already done by Thorade, 2013,
// Here we use T and rho as independent variables since derivations are already done by Thorade, 2013,
// Partial derivatives of thermodynamic state propertiesfor dynamic simulation, DOI 10.1007/s12665-013-2394-z
switch (index)
{
case iT:
@@ -584,7 +589,7 @@ long double AbstractState::calc_first_partial_deriv(parameters Of, parameters Wr
}
long double AbstractState::calc_second_partial_deriv(parameters Of1, parameters Wrt1, parameters Constant1, parameters Wrt2, parameters Constant2)
{
long double dOf1_dT, dOf1_drho, dWrt1_dT, dWrt1_drho, dConstant1_dT, dConstant1_drho, d2Of1_dT2, d2Of1_drhodT,
long double dOf1_dT, dOf1_drho, dWrt1_dT, dWrt1_drho, dConstant1_dT, dConstant1_drho, d2Of1_dT2, d2Of1_drhodT,
d2Of1_drho2, d2Wrt1_dT2, d2Wrt1_drhodT, d2Wrt1_drho2, d2Constant1_dT2, d2Constant1_drhodT, d2Constant1_drho2,
dWrt2_dT, dWrt2_drho, dConstant2_dT, dConstant2_drho, N, D, dNdrho__T, dDdrho__T, dNdT__rho, dDdT__rho,
dderiv1_drho, dderiv1_dT, second;
@@ -596,34 +601,34 @@ long double AbstractState::calc_second_partial_deriv(parameters Of1, parameters
get_dT_drho_second_derivatives(*this, Of1, d2Of1_dT2, d2Of1_drhodT, d2Of1_drho2);
get_dT_drho_second_derivatives(*this, Wrt1, d2Wrt1_dT2, d2Wrt1_drhodT, d2Wrt1_drho2);
get_dT_drho_second_derivatives(*this, Constant1, d2Constant1_dT2, d2Constant1_drhodT, d2Constant1_drho2);
// First derivatives of terms involved in the second derivative
get_dT_drho(*this, Wrt2, dWrt2_dT, dWrt2_drho);
get_dT_drho(*this, Constant2, dConstant2_dT, dConstant2_drho);
// Numerator and denominator of first partial derivative term
N = dOf1_dT*dConstant1_drho - dOf1_drho*dConstant1_dT;
D = dWrt1_dT*dConstant1_drho - dWrt1_drho*dConstant1_dT;
// Derivatives of the numerator and denominator of the first partial derivative term with respect to rho, T held constant
// They are of similar form, with Of1 and Wrt1 swapped
dNdrho__T = dOf1_dT*d2Constant1_drho2 + d2Of1_drhodT*dConstant1_drho - dOf1_drho*d2Constant1_drhodT - d2Of1_drho2*dConstant1_dT;
dDdrho__T = dWrt1_dT*d2Constant1_drho2 + d2Wrt1_drhodT*dConstant1_drho - dWrt1_drho*d2Constant1_drhodT - d2Wrt1_drho2*dConstant1_dT;
// Derivatives of the numerator and denominator of the first partial derivative term with respect to T, rho held constant
// They are of similar form, with Of1 and Wrt1 swapped
dNdT__rho = dOf1_dT*d2Constant1_drhodT + d2Of1_dT2*dConstant1_drho - dOf1_drho*d2Constant1_dT2 - d2Of1_drhodT*dConstant1_dT;
dDdT__rho = dWrt1_dT*d2Constant1_drhodT + d2Wrt1_dT2*dConstant1_drho - dWrt1_drho*d2Constant1_dT2 - d2Wrt1_drhodT*dConstant1_dT;
// First partial of first derivative term with respect to T
dderiv1_drho = (D*dNdrho__T - N*dDdrho__T)/pow(D, 2);
// First partial of first derivative term with respect to rho
dderiv1_dT = (D*dNdT__rho - N*dDdT__rho)/pow(D, 2);
// Complete second derivative
second = (dderiv1_dT*dConstant2_drho - dderiv1_drho*dConstant2_dT)/(dWrt2_dT*dConstant2_drho - dWrt2_drho*dConstant2_dT);
return second;
}
// // ----------------------------------------