https://mooseframework.inl.gov
Loading...
Searching...
No Matches
GeochemistryActivityCalculators.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
12#include "MooseTypes.h"
13
18{
21 Real charge, Real ion_size, Real sqrt_ionic_strength, Real A, Real B, Real Bdot);
22
24Real log10ActCoeffDHBdotNeutral(Real ionic_strength, Real a, Real b, Real c, Real d);
25
28 Real stoichiometric_ionic_strength, Real A, Real atilde, Real btilde, Real ctilde, Real dtilde);
29
31Real log10ActCoeffDHBdotAlternative(Real ionic_strength, Real Bdot);
32
34Real log10ActCoeffDavies(Real charge, Real sqrt_ionic_strength, Real A);
35
36} // namespace GeochemistryActivityCalculators
Calculators to compute activity coefficients.
Real log10ActCoeffDHBdot(Real charge, Real ion_size, Real sqrt_ionic_strength, Real A, Real B, Real Bdot)
log10(activity coefficient) according to the Debye-Huckel B-dot model
Real log10ActCoeffDHBdotAlternative(Real ionic_strength, Real Bdot)
log10(activity coefficient) alternative expression that is sometimes used in conjunction with the Deb...
Real log10ActCoeffDavies(Real charge, Real sqrt_ionic_strength, Real A)
log10(activity coefficient) according to the Davies model
Real log10ActCoeffDHBdotNeutral(Real ionic_strength, Real a, Real b, Real c, Real d)
log10(activity coefficient) for neutral species according to the Debye-Huckel B-dot model
Real lnActivityDHBdotWater(Real stoichiometric_ionic_strength, Real A, Real atilde, Real btilde, Real ctilde, Real dtilde)
ln(activity of water) according to the Debye-Huckel B-dot model