General form of the cross-energy parameter of equations of state

Citation
Jap. Coutinho et al., General form of the cross-energy parameter of equations of state, IND ENG RES, 39(8), 2000, pp. 3076-3082
Citations number
27
Categorie Soggetti
Chemical Engineering
Journal title
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
ISSN journal
08885885 → ACNP
Volume
39
Issue
8
Year of publication
2000
Pages
3076 - 3082
Database
ISI
SICI code
0888-5885(200008)39:8<3076:GFOTCP>2.0.ZU;2-F
Abstract
Phase equilibrium calculations with cubic equations of state are sensitive to mixing and combining rules employed. In this work, we present a suitable general form of the combining rule for the cross-energy parameter, often c onsidered to be the key property in phase equilibrium calculations. The pro posed rule is derived from molecular considerations, namely, the London-Mie theory. The typically used geometric mean (GM) and other combining rules c an be deducted from this expression from different values of the parameter n, which is the attractive tail of the Mie potential. We show that using th is n parameter as the variable instead of the commonly employed k(ij) offer s useful insight into the behavior of cubic equations of state for a large number of asymmetric systems including gas/alkanes, polymer solutions and b lends, and alcohol/alkane and gas/solid systems.