Detailed Description
Definition at line 612 of file GeneralizedCubic.h.
#include <GeneralizedCubic.h>
Inheritance diagram for PengRobinson:
Public Member Functions | |
| PengRobinson (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 >()) | |
| PengRobinson (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... | |
Constructor & Destructor Documentation
◆ PengRobinson() [1/2]
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inline |
Definition at line 615 of file GeneralizedCubic.h.
◆ PengRobinson() [2/2]
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inline |
Definition at line 622 of file GeneralizedCubic.h.
Member Function Documentation
◆ a0_ii()
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virtual |
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 653 of file GeneralizedCubic.cpp.
◆ b0_ii()
|
virtual |
Get the leading constant in the expression for the pure fluid covolume term (must be implemented by derived classes)
Implements AbstractCubic.
Definition at line 657 of file GeneralizedCubic.cpp.
◆ m_ii()
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virtual |
Get the m_ii variable in the alpha term inculuded in the attractive part.
Implements AbstractCubic.
Definition at line 661 of file GeneralizedCubic.cpp.
The documentation for this class was generated from the following files:
- src/Backends/Cubics/GeneralizedCubic.h
- src/Backends/Cubics/GeneralizedCubic.cpp
