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EquilibriumConstantAux.h
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1//* This file is part of the MOOSE framework
2//* https://mooseframework.inl.gov
3//*
4//* All rights reserved, see COPYRIGHT for full restrictions
5//* https://github.com/idaholab/moose/blob/master/COPYRIGHT
6//*
7//* Licensed under LGPL 2.1, please see LICENSE for details
8//* https://www.gnu.org/licenses/lgpl-2.1.html
9
10#pragma once
11
12#include "AuxKernel.h"
14#include "PolynomialFit.h"
15
37{
38public:
40
42
43protected:
44 virtual Real computeValue() override;
45
49 const std::vector<Real> & _temperature_points;
51 const std::vector<Real> & _logk_points;
53 std::unique_ptr<EquilibriumConstantFit> _logk;
55 std::unique_ptr<PolynomialFit> _linear_logk;
56};
Equilibrium constant (in the form log10(Keq)) calculated using a least-squares fit to the data provid...
const std::vector< Real > & _temperature_points
Temperature points in data set (in K)
const std::vector< Real > & _logk_points
log(Keq) values at each temperature point
virtual Real computeValue() override
std::unique_ptr< PolynomialFit > _linear_logk
Linear least-squares fit.
static InputParameters validParams()
std::unique_ptr< EquilibriumConstantFit > _logk
Least-squares fit to data.
const VariableValue & _temperature
Temperature (in K)
const InputParameters & parameters() const
VariableValueTempl< false > VariableValue