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GeochemistryActivityCoefficients.h
Go to the documentation of this file.
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
13
19{
20public:
22
23 bool operator==(const GeochemistryActivityCoefficients & /*rhs*/) const { return true; };
24
36 virtual void setInternalParameters(Real temperature,
38 const std::vector<Real> & basis_species_molality,
39 const std::vector<Real> & eqm_species_molality,
40 const std::vector<Real> & kin_species_molality) = 0;
41
47 virtual Real waterActivity() const = 0;
48
63 std::vector<Real> & basis_activity_coef,
64 std::vector<Real> & eqm_activity_coef) const = 0;
65};
const ModelGeochemicalDatabase mgd
Base class to compute activity coefficients for non-minerals and non-gases (since these species do no...
virtual void setInternalParameters(Real temperature, const ModelGeochemicalDatabase &mgd, const std::vector< Real > &basis_species_molality, const std::vector< Real > &eqm_species_molality, const std::vector< Real > &kin_species_molality)=0
Sets internal parameters, such as the ionic strength and Debye-Huckel parameters, prior to computing ...
virtual Real waterActivity() const =0
Computes and returns the activity of water.
virtual void buildActivityCoefficients(const ModelGeochemicalDatabase &mgd, std::vector< Real > &basis_activity_coef, std::vector< Real > &eqm_activity_coef) const =0
Compute the activity coefficients and store them in basis_activity_coef and eqm_activity_coef Note:
bool operator==(const GeochemistryActivityCoefficients &) const
Data structure to hold all relevant information from the database file.