DensityNunez.cpp

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#include "DensityNunez.h"
 
namespace
{
// NaX_Nunez_polyfrac_CC.pickle
// date extracted 2015-06-23 15:38:35 file mtime 2015-06-23 15:19:34
const double DensityNunez_c[] = {
    0.3631900485031771,     /* a0 */
    -0.0014242280940080726, /* a1 */
    -0.0007751726942386291, /* a2 */
    2.1775655036811842e-08, /* a3 */
    5.488166913667265e-07,  /* a4 */
    6.204064716725214e-10,  /* a5 */
    -1.0345385018952998e-10 /* a6 */
};
 
}  // namespace
 
namespace Adsorption
{
double DensityNunez::getAdsorbateDensity(const double T_Ads) const
{
    // TODO admissible T range: 273.16 K <= T_Ads <= 633.15 K
    const double a[] = {1.0644e3, -8.01905, 1.445348e-2, -4.19589e-6,
                        -4.5294e-9};
    const double b[] = {-8.039e-3, 1.8698e-5, -2.3015e-8, 2.3809e-11,
                        -1.388e-14};
    const double u =
        a[0] + T_Ads * (a[1] + T_Ads * (a[2] + T_Ads * (a[3] + T_Ads * a[4])));
    const double v =
        1.0 +
        T_Ads *
            (b[0] +
             T_Ads * (b[1] + T_Ads * (b[2] + T_Ads * (b[3] + T_Ads * b[4]))));
    return u / v;
}
 
// Thermal expansivity model for water found in the works of Hauer
double DensityNunez::getAlphaT(const double T_Ads) const
{
    // TODO admissible T range: 273.16 K <= T_Ads <= 633.15 K
    const double a[] = {1.0644e3, -8.01905, 1.445348e-2, -4.19589e-6,
                        -4.5294e-9};
    const double b[] = {-8.039e-3, 1.8698e-5, -2.3015e-8, 2.3809e-11,
                        -1.388e-14};
    const double u =
        a[0] + T_Ads * (a[1] + T_Ads * (a[2] + T_Ads * (a[3] + T_Ads * a[4])));
    const double v =
        1.0 +
        T_Ads *
            (b[0] +
             T_Ads * (b[1] + T_Ads * (b[2] + T_Ads * (b[3] + T_Ads * b[4]))));
    const double du =
        a[1] + T_Ads * (2.0 * a[2] + T_Ads * (3.0 * a[3] + T_Ads * 4.0 * a[4]));
    const double dv =
        b[0] + T_Ads * (2.0 * b[1] +
                        T_Ads * (3.0 * b[2] +
                                 T_Ads * (4.0 * b[3] + T_Ads * 5.0 * b[4])));
    return dv / v - du / u;
}
 
// Characteristic curve. Return W (A)
double DensityNunez::characteristicCurve(const double A) const
{
    double W = curvePolyfrac(DensityNunez_c, A);  // cm^3/g
 
    if (W < 0.0)
    {
        W = 0.0;  // TODO [CL] debug output
    }
 
    return W / 1.e3;  // m^3/kg
}
 
double DensityNunez::dCharacteristicCurve(const double A) const
{
    return dCurvePolyfrac(DensityNunez_c, A);
}
 
}  // namespace Adsorption