/**
* \file
* \copyright
* Copyright (c) 2012-2021, OpenGeoSys Community (http://www.opengeosys.org)
* Distributed under a Modified BSD License.
* See accompanying file LICENSE.txt or
* http://www.opengeosys.org/project/license
*/
#include "DensityDubinin.h"
#include "MaterialLib/PhysicalConstant.h"
#include "DensityCook.h"
#include "Adsorption.h"
namespace
{
// NaX_Dubinin_polyfrac_CC.pickle
// date extracted 2015-06-23 16:47:50 file mtime 2015-06-23 16:47:23
const double DensityDubinin_c[] = {
0.3635538371322433, /* a0 */
-0.0014521033261199435, /* a1 */
-0.0007855160157616825, /* a2 */
4.385666000850253e-08, /* a3 */
5.567776459188524e-07, /* a4 */
6.026002134230559e-10, /* a5 */
-1.0477401124006098e-10 /* a6 */
};
} // namespace
namespace Adsorption
{
double DensityDubinin::getAdsorbateDensity(const double T_Ads) const
{
const double Tb = 373.1;
if (T_Ads < Tb) {
return rhoWaterDean(T_Ads);
}
const double Tc = 647.3; // K
const double pc = 221.2e5; // Pa
// boiling point density
const double rhob = rhoWaterDean(Tb);
// state values
const double R = MaterialLib::PhysicalConstant::IdealGasConstant;
const double M = MaterialLib::PhysicalConstant::MolarMass::Water;
const double b = R * Tc / (8. * pc); // m^3/mol
const double rhom = M / b; // kg/m^3
const double rho = rhob - (rhob - rhom) / (Tc - Tb) * (T_Ads - Tb);
return rho;
}
//Thermal expansivity model for water found in the works of Hauer
double DensityDubinin::getAlphaT(const double T_Ads) const
{
const double Tb = 373.1;
if (T_Ads <= Tb) {
return alphaTWaterDean(T_Ads);
}
// critical T and p
const double Tc = 647.3; // K
// const double rhoc = 322.; // kg/m^3
const double pc = 221.2e5; // Pa
// boiling point density
const double rhob = rhoWaterDean(Tb);
// state values
const double R = MaterialLib::PhysicalConstant::IdealGasConstant;
const double M = MaterialLib::PhysicalConstant::MolarMass::Water;
const double b = R * Tc / (8. * pc); // m^3/mol
const double rhom = M / (b); // kg/m^3
const double rho = rhob - (rhob - rhom) / (Tc - Tb) * (T_Ads - Tb);
return ((rhob - rhom) / (Tc - Tb) * 1. / rho);
}
// Characteristic curve. Return W (A)
double DensityDubinin::characteristicCurve(const double A) const
{
double W = curvePolyfrac(DensityDubinin_c, A); // cm^3/g
if (W < 0.0) {
W = 0.0; // TODO [CL] debug output
}
return W/1.e3; // m^3/kg
}
double DensityDubinin::dCharacteristicCurve(const double A) const
{
return dCurvePolyfrac(DensityDubinin_c, A);
}
} // namespace Adsorption