Example #1
0
void MargulesVPSSTP::getPartialMolarEnthalpies(doublereal* hbar) const
{
    // Get the nondimensional standard state enthalpies
    getEnthalpy_RT(hbar);

    // dimensionalize it.
    for (size_t k = 0; k < m_kk; k++) {
        hbar[k] *= RT();
    }

    // Update the activity coefficients, This also update the internally stored
    // molalities.
    s_update_lnActCoeff();
    s_update_dlnActCoeff_dT();
    for (size_t k = 0; k < m_kk; k++) {
        hbar[k] -= RT() * temperature() * dlnActCoeffdT_Scaled_[k];
    }
}
void RedlichKisterVPSSTP::getPartialMolarEnthalpies(doublereal* hbar) const
{
    /*
     * Get the nondimensional standard state enthalpies
     */
    getEnthalpy_RT(hbar);
    /*
     * dimensionalize it.
     */
    double T = temperature();
    for (size_t k = 0; k < m_kk; k++) {
        hbar[k] *= GasConstant * T;
    }
    /*
     * Update the activity coefficients, This also update the
     * internally stored molalities.
     */
    s_update_lnActCoeff();
    s_update_dlnActCoeff_dT();
    for (size_t k = 0; k < m_kk; k++) {
        hbar[k] -= GasConstant * T * T * dlnActCoeffdT_Scaled_[k];
    }
}
Example #3
0
void MetalSHEelectrons::getIntEnergy_RT(doublereal* urt) const
{
    getEnthalpy_RT(urt);
    urt[0] -= 1.0;
}
Example #4
0
void SingleSpeciesTP::getPartialMolarEnthalpies(doublereal* hbar) const
{
    getEnthalpy_RT(hbar);
    hbar[0] *= GasConstant * temperature();
}
Example #5
0
 /*
  * Get the nondimensional Gibbs functions for the species
  * at their standard states of solution at the current T and P
  * of the solution
  */
 void StoichSubstanceSSTP::getGibbs_RT(doublereal* grt) const {
   getEnthalpy_RT(grt);
   grt[0] -= m_s0_R[0];
 }
Example #6
0
 /*
  * Get the nondimensional Gibbs functions for the species
  * at their standard states of solution at the current T and P
  * of the solution
  */
 void MineralEQ3::getGibbs_RT(doublereal* grt) const {
   getEnthalpy_RT(grt);
   grt[0] -= m_s0_R[0];
 }
Example #7
0
 void VPSSMgr_IdealGas::getIntEnergy_RT(doublereal* urt) const {
   getEnthalpy_RT(urt);
   for (int k = 0; k < m_kk; k++) {
     urt[k] -= 1.0;
   }
 }
Example #8
0
 void SurfPhase::getEnthalpy_RT_ref(doublereal* hrt) const {
   getEnthalpy_RT(hrt);
 }
Example #9
0
 void IdealSolnGasVPSS::getPartialMolarEnthalpies(doublereal* hbar) const {
   getEnthalpy_RT(hbar);
   doublereal rt = GasConstant * temperature();
   scale(hbar, hbar+m_kk, hbar, rt);
 }