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: