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"])
