Line data    Source code

       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 "MooseTypes.h"
      13             : #include "LeastSquaresFitBase.h"
      14             : 
      15             : /**
      16             :  * Fit the equilibrium constant values read from a databse at specified
      17             :  * temperature values with a Maier-Kelly type function for the equilibrium constant
      18             :  *
      19             :  * log(K)= a_0 ln(T) + a_1 + a_2 T + a_3 / T + a_4 / T^2
      20             :  *
      21             :  * where T is the temperature in Kelvin.
      22             :  *
      23             :  * Note: at least five data points must be provided to generate a fit
      24             :  */
      25             : 
      26           2 : class EquilibriumConstantFit : public LeastSquaresFitBase
      27             : {
      28             : public:
      29             :   EquilibriumConstantFit(const std::vector<Real> & temperature, const std::vector<Real> & logk);
      30             : 
      31             :   virtual Real sample(Real T) override;
      32             : 
      33             : protected:
      34             :   virtual void fillMatrix() override;
      35             : };