Prediction of vapour-liquid equilibrium of some binary liquid systems by Generalized London Potential method

Abstract

A novel ab initio method (named the generalized London Potential method) has been developed by Homer et al.⁶’⁹ to predict vapour- liquid equilibrium data for binary mixtures. By this approach, the activity coefficients, vapour- phase composition and total vapour pressures of series of different kinds of binary liquid mixtures such as (i) C₆H₆-CC₁₄, (ii) cC₆H₁₂-CC₁₄, (iii) cC₅H₁₀-CC₁₄, (iv) cC₆H₁₂-C₆H₆, (v) cC₅H₁₀-C₆H₆, (vi) C₆H₆-CH₃OH, (vii) C₆H₆-C₂H₅OH (viii) cC₆H₁₂-C₂H₅OH, (ix) CH₃OH-C₂H₅OH, (x) water-C₂H₅OH are calculated and the result obtained are compared with experimental data. Reasonable agreement is found between predicted and experimental data for only non-polar simple systems.