2. Critical Properties

class scithermo.critical_constants.CriticalConstants(dippr_no: str = None, compound_name: str = None, cas_number: str = None, **kwargs)[source]

Get critical constants of a compound

If critical constants are not passed in, reads from DIPPR table

Parameters

  • dippr_no (str, optional) – dippr_no of compound by DIPPR table, defaults to None

  • compound_name (str, optional) – name of chemical compound, defaults to None

  • cas_number (str, optional) – CAS registry number for chemical compound, defaults to None

  • MW (float, derived from input) – molecular weight in g/mol

  • T_c (float, derived from input) – critical temperature [K]

  • P_c (float, derived from input) – critical pressure [Pa]

  • V_c (float, derived from input) – critical molar volume [m^3/mol]

  • Z_c (float, derived from input) – critical compressibility factor [dimensionless]

  • w (float, derived from input) – accentric factor [dimensionless]

  • tol (float, hard-coded) – tolerance for percent difference in Zc calulcated and tabulated, set to 0.5

Z_c_percent_difference()[source]

calculate percent difference between Z_c calculated and tabulated

calc_Z_c()[source]

Calculate critical compressibility, for comparison to tabulated value

class scithermo.critical_constants.CriticalConstants(dippr_no: str = None, compound_name: str = None, cas_number: str = None, **kwargs)[source]

Get critical constants of a compound

If critical constants are not passed in, reads from DIPPR table

Parameters

  • dippr_no (str, optional) – dippr_no of compound by DIPPR table, defaults to None

  • compound_name (str, optional) – name of chemical compound, defaults to None

  • cas_number (str, optional) – CAS registry number for chemical compound, defaults to None

  • MW (float, derived from input) – molecular weight in g/mol

  • T_c (float, derived from input) – critical temperature [K]

  • P_c (float, derived from input) – critical pressure [Pa]

  • V_c (float, derived from input) – critical molar volume [m^3/mol]

  • Z_c (float, derived from input) – critical compressibility factor [dimensionless]

  • w (float, derived from input) – accentric factor [dimensionless]

  • tol (float, hard-coded) – tolerance for percent difference in Zc calulcated and tabulated, set to 0.5

Z_c_percent_difference()[source]

calculate percent difference between Z_c calculated and tabulated

calc_Z_c()[source]

Calculate critical compressibility, for comparison to tabulated value