def heat_capacity_v(self, pressure, temperature, volume, params): """ Returns heat capacity at constant volume at the pressure, temperature, and volume [J/K/mol] """ Debye_T = self.__debye_temperature(params['V_0']/volume, params) C_v = debye.heat_capacity_v(temperature, Debye_T, params['n']) return C_v
def isothermal_bulk_modulus(self, pressure,temperature, volume, params): """ Returns isothermal bulk modulus :math:`[Pa]` """ T_0 = self.reference_temperature( params ) debye_T = self.__debye_temperature(params['V_0']/volume, params) gr = self.grueneisen_parameter(pressure, temperature, volume, params) E_th = debye.thermal_energy(temperature, debye_T, params['n']) #thermal energy at temperature T E_th_ref = debye.thermal_energy(T_0,debye_T, params['n']) #thermal energy at reference temperature C_v = debye.heat_capacity_v(temperature, debye_T, params['n']) #heat capacity at temperature T C_v_ref = debye.heat_capacity_v(T_0,debye_T, params['n']) #heat capacity at reference temperature q = self.volume_dependent_q(params['V_0']/volume, params) K = bm.bulk_modulus(volume, params) \ + (gr + 1.-q)* ( gr / volume ) * (E_th - E_th_ref) \ - ( pow(gr , 2.) / volume )*(C_v*temperature - C_v_ref*T_0) return K
def isothermal_bulk_modulus(self, pressure, temperature, volume, params): """ Returns isothermal bulk modulus at the pressure, temperature, and volume [Pa] """ debye_T = self.__debye_temperature(params["V_0"] / volume, params) gr = self.grueneisen_parameter(pressure, temperature, volume, params) E_th = debye.thermal_energy(temperature, debye_T, params["n"]) # thermal energy at temperature T E_th_ref = debye.thermal_energy(300.0, debye_T, params["n"]) # thermal energy at reference temperature C_v = debye.heat_capacity_v(temperature, debye_T, params["n"]) # heat capacity at temperature T C_v_ref = debye.heat_capacity_v(300.0, debye_T, params["n"]) # heat capacity at reference temperature q = self.volume_dependent_q(params["V_0"] / volume, params) K = ( bm.bulk_modulus(volume, params) + (gr + 1.0 - q) * (gr / volume) * (E_th - E_th_ref) - (pow(gr, 2.0) / volume) * (C_v * temperature - C_v_ref * 300.0) ) return K
def heat_capacity_v(self, pressure, temperature, volume, params): """ Returns heat capacity at constant volume. :math:`[J/K/mol]` """ debye_T = self.__debye_temperature(params['V_0']/volume, params) return debye.heat_capacity_v(temperature, debye_T,params['n'])
def heat_capacity_v(self, pressure, temperature, volume, params): """ Returns heat capacity at constant volume at the pressure, temperature, and volume [J/K/mol] """ debye_T = self.__debye_temperature(params["V_0"] / volume, params) return debye.heat_capacity_v(temperature, debye_T, params["n"])