A CONJUGATION-BASED VERSION OF THE UNIFAC METHOD

Authors
FOISY M TAKAMOTO D MAVROVOUNIOTIS ML
Citation
M. Foisy et al., A CONJUGATION-BASED VERSION OF THE UNIFAC METHOD, Fluid phase equilibria, 137(1-2), 1997, pp. 111-119
Citations number
30
Journal title
Fluid phase equilibria → ACNP
ISSN journal
03783812
Volume
137
Issue
1-2
Year of publication
1997
Pages
111 - 119
Database
ISI
SICI code
0378-3812(1997)137:1-2<111:ACVOTU>2.0.ZU;2-Z
Abstract
A modification of the UNIFAC method is proposed, reducing the set of g roups to individual atoms. The effects of the environment of each atom are captured by the conjugation operators in which it participates, b ased on the ABC property estimation approach. The proposed modified me thod is applied to the infinite-dilution activity coefficients in bina ry systems of alkanes, alcohols, amines. and ethers. (C) 1997 Elsevier Science B.V.