Example 05.22a VLE of Hexane-Butanone-2 Via UNIFAC - Step by Step
Calculate the vapor-liquid equilibrium of the system n-hexane (1) - 2-butanone (2) at 60°C for a mole fraction of x1 = 0.5 with the help of the UNIFAC method assuming ideal behavior of the vapor phase.
System: n-hexane (1) - 2-butanon (2)
Pure component vapor pressures:
Subgroup 1 CH3
Subgroup 2 CH2
Subgroup 3 CH3CO
Maingroup 1 CH3
Maingroup 2 CH2CO
Subgroup i belongs to maingroup nordi:
Number of subgroups of type i
in component j (ni,j):
R- and Q-values for subgroups:
Interaction parameters between
maingroups:
Calculation of the combinatorial part (Guggenheim and Stavermann):
Relative van der Waals volume
and surface of the components:
Calculation of the residual part:
Calculation of group fractions in the mixture:
Calculation of group surface fractions
in the mixture:
Group activity coefficients in the mixture:
Calculation of group fractions in the
pure components:
Calculation of group surface fractions
in the pure components:
Group activity coefficients in the
pure components:
Calculation of the activity coefficients:
Calculation of the total pressure:
Calculation of the vapor composition:
Calculation of the K-factors:
Calculation of the separation factors: