A study of the effect of molecule fragmentation method on the accuracy of estimation of phase equilibria in terms of the UNIFAC model

Author: Bakhtina I.   Khristenko M.   Andreeva N.   Komarova L.  

Publisher: MAIK Nauka/Interperiodica

ISSN: 1070-4272

Source: Russian Journal of Applied Chemistry, Vol.79, Iss.11, 2006-11, pp. : 1775-1778

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Abstract

Application of the UNIFAC model to calculation of the liquid-vapor equilibrium in binary subsystems of the mixture of butyl alcohol, butyl Cellosolve, ethylene glycol, butyl carbitol, and diethylene glycol with different ways of molecule fragmentation into group constituents was considered. The optimal way of fragmentation was suggested.