PolynomialDependency Struct Reference#
A struct to store sets of parameters used in coverage-dependent enthalpy and entropy calculations by a polynomial equation or a linear equation in CoverageDependentSurfPhase. More...
#include <CoverageDependentSurfPhase.h>
Detailed Description
A struct to store sets of parameters used in coverage-dependent enthalpy and entropy calculations by a polynomial equation or a linear equation in CoverageDependentSurfPhase.
Definition at line 132 of file CoverageDependentSurfPhase.h.
Public Member Functions | |
PolynomialDependency (size_t k, size_t j, const AnyMap &dep_map) | |
Public Attributes | |
size_t | k |
index of a target species whose enthalpy and entropy is calculated | |
size_t | j |
index of a species whose coverage affects enthalpy and entropy of a target species | |
vector< double > | enthalpy_coeffs |
array of polynomial coefficients describing coverage-dependent enthalpy [J/kmol] in order of 1st-order, 2nd-order, 3rd-order, and 4th-order coefficients ( \( c^{(1)}, c^{(2)}, c^{(3)}, \text{ and } c^{(4)} \) in the linear or the polynomial dependency model) | |
vector< double > | entropy_coeffs |
array of polynomial coefficients describing coverage-dependent entropy [J/kmol/K] in order of 1st-order, 2nd-order, 3rd-order, and 4th-order coefficients ( \( c^{(1)}, c^{(2)}, c^{(3)}, \text{ and } c^{(4)} \) in the linear or the polynomial dependency model) | |
bool | isLinear |
boolean indicating whether the dependency is linear | |
Constructor & Destructor Documentation
◆ PolynomialDependency()
PolynomialDependency | ( | size_t | k, |
size_t | j, | ||
const AnyMap & | dep_map | ||
) |
- Parameters
-
k index of a target species whose enthalpy and entropy are calculated j index of a species whose coverage affects enthalpy and entropy of a target species dep_map map of coverage-dependency parameters
Definition at line 25 of file CoverageDependentSurfPhase.cpp.
Member Data Documentation
◆ k
size_t k |
index of a target species whose enthalpy and entropy is calculated
Definition at line 143 of file CoverageDependentSurfPhase.h.
◆ j
size_t j |
index of a species whose coverage affects enthalpy and entropy of a target species
Definition at line 146 of file CoverageDependentSurfPhase.h.
◆ enthalpy_coeffs
vector<double> enthalpy_coeffs |
array of polynomial coefficients describing coverage-dependent enthalpy [J/kmol] in order of 1st-order, 2nd-order, 3rd-order, and 4th-order coefficients ( \( c^{(1)}, c^{(2)}, c^{(3)}, \text{ and } c^{(4)} \) in the linear or the polynomial dependency model)
Definition at line 151 of file CoverageDependentSurfPhase.h.
◆ entropy_coeffs
vector<double> entropy_coeffs |
array of polynomial coefficients describing coverage-dependent entropy [J/kmol/K] in order of 1st-order, 2nd-order, 3rd-order, and 4th-order coefficients ( \( c^{(1)}, c^{(2)}, c^{(3)}, \text{ and } c^{(4)} \) in the linear or the polynomial dependency model)
Definition at line 156 of file CoverageDependentSurfPhase.h.
◆ isLinear
bool isLinear |
boolean indicating whether the dependency is linear
Definition at line 158 of file CoverageDependentSurfPhase.h.
The documentation for this struct was generated from the following files:
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