diff --git a/include/cantera/thermo/ConstCpPoly.h b/include/cantera/thermo/ConstCpPoly.h index 4a51375446..7da643a528 100644 --- a/include/cantera/thermo/ConstCpPoly.h +++ b/include/cantera/thermo/ConstCpPoly.h @@ -24,21 +24,21 @@ namespace Cantera * thermodynamic functions for the species. * * @f[ - * \frac{c_p(T)}{R} = Cp0\_R + * \hat{c}_p^\circ(T) = \hat{c}_p^\circ(T^\circ) * @f] * @f[ - * \frac{h^0(T)}{RT} = \frac{1}{T} * (h0\_R + (T - T_0) * Cp0\_R) + * \hat{h}^\circ(T) = \hat{h}^\circ\left(T_0\right) + * + \hat{c}_p^\circ \left(T-T^\circ\right) * @f] * @f[ - * \frac{s^0(T)}{R} = (s0\_R + (log(T) - \log(T_0)) * Cp0\_R) + * \hat{s}^\circ(T) = \hat{s}^\circ(T_0) + * + \hat{c}_p^\circ \ln{\left(\frac{T}{T^\circ}\right)} * @f] * - * This parameterization takes 4 input values. These are: - * - c[0] = @f$ T_0 @f$ (Kelvin) - * - c[1] = @f$ H_k^o(T_0, p_{ref}) @f$ (J/kmol) - * - c[2] = @f$ S_k^o(T_0, p_{ref}) @f$ (J/kmol K) - * - c[3] = @f$ {Cp}_k^o(T_0, p_{ref}) @f$ (J(kmol K) - * + * This parameterization takes 4 input values @f$ T^\circ @f$, + * @f$ \hat{h}^\circ(T^\circ) @f$, @f$ \hat{s}^\circ(T^\circ) @f$ and + * @f$ \hat{c}_p^\circ(T^\circ) @f$, see setParameters(). The default value of + * @f$ T^\circ @f$ is 298.15 K; the default value for the other parameters is 0.0. * @ingroup spthermo */ class ConstCpPoly: public SpeciesThermoInterpType @@ -52,20 +52,17 @@ class ConstCpPoly: public SpeciesThermoInterpType * @param thigh Maximum temperature * @param pref reference pressure (Pa). * @param coeffs Vector of coefficients used to set the parameters for - * the standard state for species n. There are 4 - * coefficients for the ConstCpPoly parameterization. - * - c[0] = @f$ T_0 @f$ (Kelvin) - * - c[1] = @f$ H_k^o(T_0, p_{ref}) @f$ (J/kmol) - * - c[2] = @f$ S_k^o(T_0, p_{ref}) @f$ (J/kmol K) - * - c[3] = @f$ {Cp}_k^o(T_0, p_{ref}) @f$ (J(kmol K) + * the standard state for species n. Contains 4 parameters + * in the order of setParameters() arguments. */ ConstCpPoly(double tlow, double thigh, double pref, const double* coeffs); /** - * @param t0 @f$ T_0 @f$ [K] - * @param h0 @f$ h_k^o(T_0, p_{ref}) @f$ [J/kmol] - * @param s0 @f$ s_k^o(T_0, p_{ref}) @f$ [J/kmol/K] - * @param cp0 @f$ c_{p,k}^o(T_0, p_{ref}) @f$ [J/kmol/K] + * Set ConstCpPoly parameters. + * @param t0 @f$ T^\circ @f$ [K] + * @param h0 @f$ \hat{h}^\circ(T^\circ) @f$ [J/kmol] + * @param s0 @f$ \hat{s}^\circ(T^\circ) @f$ [J/kmol/K] + * @param cp0 @f$ \hat{c}_p^\circ(T^\circ) @f$ [J/kmol/K] */ void setParameters(double t0, double h0, double s0, double cp0); @@ -99,7 +96,7 @@ class ConstCpPoly: public SpeciesThermoInterpType protected: //! Base temperature - double m_t0 = 0.0; + double m_t0 = 298.15; //! Dimensionless value of the heat capacity double m_cp0_R = 0.0; //! dimensionless value of the enthalpy at t0 @@ -107,7 +104,7 @@ class ConstCpPoly: public SpeciesThermoInterpType //! Dimensionless value of the entropy at t0 double m_s0_R = 0.0; //! log of the t0 value - double m_logt0 = 0.0; + double m_logt0 = log(298.15); //! Original value of h0_R, restored by calling resetHf298() double m_h0_R_orig = 0.0; };