DensityHauer.cpp

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#include "DensityHauer.h"
 
namespace
{
// NaX_Hauer_polyfrac_CC.pickle
// date extracted 2015-06-23 15:38:35 file mtime 2015-06-23 15:19:19
const double DensityHauer_c[] = {
    0.36490158988356747,    /* a0 */
    -0.0013723270478333963, /* a1 */
    -0.0007655780628099964, /* a2 */
    -3.353324854315774e-08, /* a3 */
    5.424357157710913e-07,  /* a4 */
    6.613430586648678e-10,  /* a5 */
    -1.0300151379421499e-10 /* a6 */
};
 
}  // namespace
 
namespace Adsorption
{
double DensityHauer::getAdsorbateDensity(const double T_Ads) const
{
    return rhoWaterHauer(T_Ads);
}
 
// Thermal expansivity model for water found in the works of Hauer
double DensityHauer::getAlphaT(const double T_Ads) const
{
    // data like in python script
    const double T0 = 283.15;
    const double alpha0 = 3.781e-4;  // K; 1/K
 
    return alpha0 / (1. - alpha0 * (T_Ads - T0));  // in 1/K
}
 
// Characteristic curve. Return W (A)
double DensityHauer::characteristicCurve(const double A) const
{
    double W = curvePolyfrac(DensityHauer_c, A);  // cm^3/g
 
    if (W < 0.0)
    {
        W = 0.0;  // TODO [CL] debug output
    }
 
    return W / 1.e3;  // m^3/kg
}
 
double DensityHauer::dCharacteristicCurve(const double A) const
{
    return dCurvePolyfrac(DensityHauer_c, A);
}
 
}  // namespace Adsorption