CoolProp
6.6.1dev
An open-source fluid property and humid air property database
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Definition at line 632 of file GeneralizedCubic.h.
#include <GeneralizedCubic.h>
Public Member Functions | |
SRK (std::vector< double > Tc, std::vector< double > pc, std::vector< double > acentric, double R_u, std::vector< double > C1=std::vector< double >(), std::vector< double > C2=std::vector< double >(), std::vector< double > C3=std::vector< double >()) | |
SRK (double Tc, double pc, double acentric, double R_u) | |
double | a0_ii (std::size_t i) |
double | b0_ii (std::size_t i) |
double | m_ii (std::size_t i) |
Get the m_ii variable in the alpha term inculuded in the attractive part. More... | |
Public Member Functions inherited from AbstractCubic | |
AbstractCubic (std::vector< double > Tc, std::vector< double > pc, std::vector< double > acentric, double R_u, double Delta_1, double Delta_2, std::vector< double > C1=std::vector< double >(), std::vector< double > C2=std::vector< double >(), std::vector< double > C3=std::vector< double >()) | |
The abstract base clase for the concrete implementations of the cubic equations of state. More... | |
virtual | ~AbstractCubic () |
void | set_alpha (const std::vector< double > &C1, const std::vector< double > &C2, const std::vector< double > &C3) |
Set the constants for the Mathias-Copeman alpha function, or if C1,C2,C3 are all empty, set the default alpha model. More... | |
void | set_alpha_function (std::size_t i, shared_ptr< AbstractCubicAlphaFunction > &acaf) |
Set the alpha function for the i-th component. More... | |
shared_ptr< AbstractCubicAlphaFunction > | get_alpha_function (std::size_t i) |
Get the alpha function for the i-th component. More... | |
const std::vector< shared_ptr< AbstractCubicAlphaFunction > > & | get_all_alpha_functions () |
Get all the alpha functions. More... | |
void | set_all_alpha_functions (const std::vector< shared_ptr< AbstractCubicAlphaFunction >> &alpha) |
Set all the alpha functions. More... | |
const std::vector< std::vector< double > > & | get_kmat () |
Get the entire kij matrix in one shot. More... | |
void | set_kmat (const std::vector< std::vector< double >> &k) |
Set the entire kij matrix in one shot. More... | |
void | set_kij (std::size_t i, std::size_t j, double val) |
Set the kij factor for the ij pair. More... | |
double | get_kij (std::size_t i, std::size_t j) |
Get the kij factor for the ij pair. More... | |
std::vector< double > & | get_Tc () |
Get the vector of critical temperatures (in K) More... | |
std::vector< double > & | get_pc () |
Get the vector of critical pressures (in Pa) More... | |
std::vector< double > & | get_acentric () |
Get the vector of acentric factors. More... | |
double | get_Delta_1 () |
Read-only accessor for value of Delta_1. More... | |
double | get_Delta_2 () |
Read-only accessor for value of Delta_2. More... | |
double | get_R_u () |
Read-only accessor for value of R_u (universal gas constant) More... | |
void | set_Tr (double Tr) |
Set the reducing temperature to be used. More... | |
void | set_rhor (double rhor) |
Set the reducing density to be used. More... | |
double | get_Tr () |
Get the reducing temperature to be used. More... | |
double | get_rhor () |
Get the reducing density to be used. More... | |
void | set_C_MC (std::size_t i, double c1, double c2, double c3) |
Set the three Mathias-Copeman constants in one shot for the component i of a mixture. More... | |
void | set_C_Twu (std::size_t i, double L, double M, double N) |
Set the three Twu constants in one shot for the component i of a mixture. More... | |
virtual double | alphar (double tau, double delta, const std::vector< double > &x, std::size_t itau, std::size_t idelta) |
The residual non-dimensionalized Helmholtz energy \(\alpha^r\). More... | |
virtual double | d_alphar_dxi (double tau, double delta, const std::vector< double > &x, std::size_t itau, std::size_t idelta, std::size_t i, bool xN_independent) |
The first composition derivative of \(\alpha^r\) as well as derivatives with respect to \(\tau\) and \(\delta\). More... | |
virtual double | d2_alphar_dxidxj (double tau, double delta, const std::vector< double > &x, std::size_t itau, std::size_t idelta, std::size_t i, std::size_t j, bool xN_independent) |
The second composition derivative of \(\alpha^r\) as well as derivatives with respect to \(\tau\) and \(\delta\). More... | |
virtual double | d3_alphar_dxidxjdxk (double tau, double delta, const std::vector< double > &x, std::size_t itau, std::size_t idelta, std::size_t i, std::size_t j, std::size_t k, bool xN_independent) |
The third composition derivative of \(\alpha^r\) as well as derivatives with respect to \(\tau\) and \(\delta\). More... | |
virtual double | am_term (double tau, const std::vector< double > &x, std::size_t itau) |
The n-th derivative of \(a_m\) with respect to \(\tau\). More... | |
virtual double | d_am_term_dxi (double tau, const std::vector< double > &x, std::size_t itau, std::size_t i, bool xN_independent) |
The first composition derivative of \(a_m\) as well as derivatives with respect to \(\tau\). More... | |
virtual double | d2_am_term_dxidxj (double tau, const std::vector< double > &x, std::size_t itau, std::size_t i, std::size_t j, bool xN_independent) |
The second composition derivative of \(a_m\) as well as derivatives with respect to \(\tau\). More... | |
virtual double | d3_am_term_dxidxjdxk (double tau, const std::vector< double > &x, std::size_t itau, std::size_t i, std::size_t j, std::size_t k, bool xN_independent) |
The third composition derivative of \(a_m\) as well as derivatives with respect to \(\tau\). More... | |
virtual double | bm_term (const std::vector< double > &x) |
The term \(b_{\rm m}\) (mixture co-volume) More... | |
virtual double | d_bm_term_dxi (const std::vector< double > &x, std::size_t i, bool xN_independent) |
The first composition derivative of \(b_m\). More... | |
virtual double | d2_bm_term_dxidxj (const std::vector< double > &x, std::size_t i, std::size_t j, bool xN_independent) |
The second composition derivative of \(b_m\). More... | |
virtual double | d3_bm_term_dxidxjdxk (const std::vector< double > &x, std::size_t i, std::size_t j, std::size_t k, bool xN_independent) |
The third composition derivative of \(b_m\). More... | |
virtual double | cm_term () |
The term \(c_{\rm m}\) (volume translation) More... | |
void | set_cm (double val) |
Set the volume translation parameter. More... | |
double | get_cm () |
Get the volume translation parameter. More... | |
virtual void | set_Q_k (const size_t sgi, const double value) |
Modify the surface parameter Q_k of the sub group sgi. More... | |
virtual double | get_Q_k (const size_t sgi) const |
Retrieve the surface parameter Q_k of the sub group sgi. More... | |
double | aij_term (double tau, std::size_t i, std::size_t j, std::size_t itau) |
The n-th \(\tau\) derivative of \(a_{ij}(\tau)\). More... | |
double | u_term (double tau, std::size_t i, std::size_t j, std::size_t itau) |
double | aii_term (double tau, std::size_t i, std::size_t itau) |
double | psi_minus (double delta, const std::vector< double > &x, std::size_t itau, std::size_t idelta) |
The term \( \psi^{(-)}\) and its \(\tau\) and \( \delta \) derivatives. More... | |
double | d_psi_minus_dxi (double delta, const std::vector< double > &x, std::size_t itau, std::size_t idelta, std::size_t i, bool xN_independent) |
The third composition derivative of \( \psi^{(-)}\) and its \( \delta \) derivatives. More... | |
double | d2_psi_minus_dxidxj (double delta, const std::vector< double > &x, std::size_t itau, std::size_t idelta, std::size_t i, std::size_t j, bool xN_independent) |
The second composition derivative of \( \psi^{(-)}\) and its \( \delta \) derivatives. More... | |
double | d3_psi_minus_dxidxjdxk (double delta, const std::vector< double > &x, std::size_t itau, std::size_t idelta, std::size_t i, std::size_t j, std::size_t k, bool xN_independent) |
The third composition derivative of \( \psi^{(-)}\) and its \( \delta \) derivatives. More... | |
double | PI_12 (double delta, const std::vector< double > &x, std::size_t idelta) |
The term \( \Pi_{12}\) and its \( \delta \) derivatives. More... | |
double | d_PI_12_dxi (double delta, const std::vector< double > &x, std::size_t idelta, std::size_t i, bool xN_independent) |
The first composition derivative of \( \Pi_{12}\) and its \( \delta \) derivatives. More... | |
double | d2_PI_12_dxidxj (double delta, const std::vector< double > &x, std::size_t idelta, std::size_t i, std::size_t j, bool xN_independent) |
The second composition derivative of \( \Pi_{12}\) and its \( \delta \) derivatives. More... | |
double | d3_PI_12_dxidxjdxk (double delta, const std::vector< double > &x, std::size_t idelta, std::size_t i, std::size_t j, std::size_t k, bool xN_independent) |
The third composition derivative of \( \Pi_{12}\) and its \( \delta \) derivatives. More... | |
double | tau_times_a (double tau, const std::vector< double > &x, std::size_t itau) |
The term \( \tau\cdot a_m(\tau)\) and its \( \tau \) derivatives. More... | |
double | d_tau_times_a_dxi (double tau, const std::vector< double > &x, std::size_t itau, std::size_t i, bool xN_independent) |
The first composition derivative of \( \tau\cdot a_m(\tau)\) and its \( \tau \) derivatives. More... | |
double | d2_tau_times_a_dxidxj (double tau, const std::vector< double > &x, std::size_t itau, std::size_t i, std::size_t j, bool xN_independent) |
The second composition derivative of \( \tau\cdot a_m(\tau)\) and its \( \tau \) derivatives. More... | |
double | d3_tau_times_a_dxidxjdxk (double tau, const std::vector< double > &x, std::size_t itau, std::size_t i, std::size_t j, std::size_t k, bool xN_independent) |
The third composition derivative of \( \tau\cdot a_m(\tau)\) and its \( \tau \) derivatives. More... | |
double | psi_plus (double delta, const std::vector< double > &x, std::size_t idelta) |
The term \( \psi^{(+)}\) and its \( \delta \) derivatives. More... | |
double | d_psi_plus_dxi (double delta, const std::vector< double > &x, std::size_t idelta, std::size_t i, bool xN_independent) |
The first composition derivative of \( \psi^{(+)}\) and its \( \delta \) derivatives. More... | |
double | d2_psi_plus_dxidxj (double delta, const std::vector< double > &x, std::size_t idelta, std::size_t i, std::size_t j, bool xN_independent) |
The second composition derivative of \( \psi^{(+)}\) and its \( \delta \) derivatives. More... | |
double | d3_psi_plus_dxidxjdxk (double delta, const std::vector< double > &x, std::size_t idelta, std::size_t i, std::size_t j, std::size_t k, bool xN_independent) |
The third composition derivative of \( \psi^{(+)}\) and its \( \delta \) derivatives. More... | |
double | c_term (const std::vector< double > &x) |
The term \(c\) used in the pure composition partial derivatives of \(\psi^{(+)}\). More... | |
double | d_c_term_dxi (const std::vector< double > &x, std::size_t i, bool xN_independent) |
The first composition derivative of the term \(c\) used in the pure composition partial derivatives of \(\psi^{(+)}\). More... | |
double | d2_c_term_dxidxj (const std::vector< double > &x, std::size_t i, std::size_t j, bool xN_independent) |
The second composition derivative of the term \(c\) used in the pure composition partial derivatives of \(\psi^{(+)}\). More... | |
double | d3_c_term_dxidxjdxk (const std::vector< double > &x, std::size_t i, std::size_t j, std::size_t k, bool xN_independent) |
The third composition derivative of the term \(c\) used in the pure composition partial derivatives of \(\psi^{(+)}\). More... | |
double | A_term (double delta, const std::vector< double > &x) |
The term \(A\) used in the pure composition partial derivatives of \(\psi^{(+)}\). More... | |
double | d_A_term_dxi (double delta, const std::vector< double > &x, std::size_t i, bool xN_independent) |
The first composition derivative of the term \(A\) used in the pure composition partial derivatives of \(\psi^{(+)}\). More... | |
double | d2_A_term_dxidxj (double delta, const std::vector< double > &x, std::size_t i, std::size_t j, bool xN_independent) |
The second composition derivative of the term \(A\) used in the pure composition partial derivatives of \(\psi^{(+)}\). More... | |
double | d3_A_term_dxidxjdxk (double delta, const std::vector< double > &x, std::size_t i, std::size_t j, std::size_t k, bool xN_independent) |
The third composition derivative of the term \(A\) used in the pure composition partial derivatives of \(\psi^{(+)}\). More... | |
virtual void | set_interaction_parameter (const std::size_t mgi1, const std::size_t mgi2, const std::string ¶meter, const double value) |
virtual double | get_interaction_parameter (const std::size_t mgi1, const std::size_t mgi2, const std::string ¶meter) |
Additional Inherited Members | |
Protected Attributes inherited from AbstractCubic | |
double | rho_r |
The reducing density to be used [mol/m3]. More... | |
double | T_r |
The reducing temperature to be used [K]. More... | |
std::vector< double > | Tc |
Vector of critical temperatures (in K) More... | |
std::vector< double > | pc |
Vector of critical pressures (in Pa) More... | |
std::vector< double > | acentric |
Vector of acentric factors (unitless) More... | |
double | R_u |
The universal gas constant in J/(mol*K) More... | |
double | Delta_1 |
The first cubic constant. More... | |
double | Delta_2 |
The second cubic constant. More... | |
int | N |
Number of components in the mixture. More... | |
std::vector< std::vector< double > > | k |
The interaction parameters (k_ii = 0) More... | |
double | cm |
The volume translation parameter. More... | |
std::vector< shared_ptr< AbstractCubicAlphaFunction > > | alpha |
The vector of alpha functions for the pure components. More... | |
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Definition at line 635 of file GeneralizedCubic.h.
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inline |
Definition at line 640 of file GeneralizedCubic.h.
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Get the leading constant in the expression for the pure fluid attractive energy term (must be implemented by derived classes)
Implements AbstractCubic.
Definition at line 636 of file GeneralizedCubic.cpp.
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Get the leading constant in the expression for the pure fluid covolume term (must be implemented by derived classes)
Implements AbstractCubic.
Definition at line 641 of file GeneralizedCubic.cpp.
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Get the m_ii variable in the alpha term inculuded in the attractive part.
Implements AbstractCubic.
Definition at line 646 of file GeneralizedCubic.cpp.