Calculation of Vapor Liquid Equilibrium and Excess Enthalpy with the UNIQUAC Equation

Artikel i vetenskaplig tidskrift, 2007

The UNIQUAC equation was used for calculation of vapour liquid equilibrium (VLE) as well as excess enthalpy (hE). Four sets of binary interaction parameters were applied: first, parameters estimated only from VLE data, then parameters from hE data for both the original UNIQUAC equation and first the Anderson modification, and finally parameters estimated from hE and VLE data simultaneously. Calculations were performed for seven binary systems with polar components, representing different hE behaviour. The crossprediction of hE from VLE data works better than the reversed prediction. The model with parameters estimated simultaneously to both kinds of data, can be applied successfully to both kinds of calculations, but it is a compromise between the models estimated from one kind of data.