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Lattice thermodynamics for binary closed‐loop equilibria: Ordinary and polymer systems
Author(s) -
Hino Toshiaki,
Lambert Stephen M.,
Soane David S.,
Prausnitz John M.
Publication year - 1993
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690390512
Subject(s) - helmholtz free energy , thermodynamics , compressibility , lattice (music) , binary number , intermolecular force , polymer , phase diagram , monte carlo method , closed loop , statistical physics , chemistry , physics , phase (matter) , mathematics , molecule , statistics , arithmetic , organic chemistry , acoustics , control engineering , engineering
The incompressible lattice‐gas model by ten Brinke and Karasz is adopted to introduce the effect of specific interactions into a recently‐presented Monte‐Carlobased lattice expression for the Helmholtz energy of nonrandom mixing. While the lattice remains incompressible, intermolecular forces consist of two types: London dispersion forces and specific (chemical) forces. The specific interactions between similar components, as well as those between dissimilar components, are incorporated in a systematic manner. Closed‐loop temperature‐composition phase diagrams are obtained. The theory is compared with experimental data for several binary systems, including polymer solutions, which exhibit closed‐loop coexistence curves. Theoretical and experimental results are in good agreement.