DensityDubinin.cpp

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#include "DensityDubinin.h"
 
#include "Adsorption.h"
#include "DensityCook.h"
#include "MaterialLib/PhysicalConstant.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