Abstract
The quasichemical group surface interaction method was tested for its ability to correlate and predict vapor-liquid equilibrium (VLE) and molar excess enthalpy (HE) in binary systems 1-octyne-1-propanol, 1-nonyne-1-propanol, 1-nonyne-1-butanol, 1-butylcyclopentene-nonane, 1-butylcyclopentene-1-butanol and 3-ethylcyclopentene-1-butanol. All computations involve using the few sets of group parameters obtained for CH≡C/OH by a change of the number of HE experimental points and the minimization function. For alkylcyclopentene systems, acyclic C=C group parameter as well as those of cyclic C=C and special cyclopentene groups have been used. The results have been compared with those obtained previously by the Wilson and UNIFAC methods.
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Communicated at the Festsymposium celebrating Dr. Henry V. Kehiaian's 60th birthday, Clermont-Ferrand, France, 17–18 May 1990
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Kudryavtseva, L., Kirss, H. & Kuranov, G. Thermodynamics of mixtures containing unsaturated hydrocarbons by quasichemical group contributions. J Solution Chem 20, 165–173 (1991). https://doi.org/10.1007/BF00651648
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DOI: https://doi.org/10.1007/BF00651648