calc_new_mole_fractions

despasito.thermodynamics.calc.calc_new_mole_fractions

calc_new_mole_fractions(phase_1_mole_fraction, phil, phiv, phase=None)[source]

Calculate the alternative phase composition given the composition and fugacity coefficients of one phase, and the fugacity coefficients of the target phase.

Parameters:

  • phase_1_mole_fraction (numpy.ndarray) – Mole fraction of each component, sum(mole fraction) must equal 1.0

  • phil (float) – Fugacity coefficient of liquid at system pressure

  • phiv (float) – Fugacity coefficient of vapor at system pressure

  • phase (str, default=None) – Use either ‘vapor’ or ‘liquid’ to define the mole fraction being computed. Default is None and it will fail to ensure the user specifies the correct phase

Returns:

phase_2_mole_fraction – Mole fraction of each component computed from fugacity coefficients, sum(xi) should equal 1.0 when the solution is found, but the resulting values may not during an equilibrium calculation (e.g. bubble point).

Return type:

numpy.ndarray