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A combinatorial activity coefficient model for symmetric and asymmetric mixtures
This item is provided by the institution :
National Technical University of Athens
Repository :
Digital Library of National Technical University of Athens | Dspace@NTUA
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ΕΚΤ item type
Journal part
(EN)
Scientific article
(EN)
EKT year
1995
(EN)
EKT historical period
Title
A combinatorial activity coefficient model for symmetric and asymmetric mixtures (EN)
Creator
Kalospiros, NS (EN)
Tassios, DP (EN)
Voutsas, EC (EN)
Description
A new combinatorial activity coefficient model, based on the Staverman-Guggenheim (SG) one, is developed in this study. It involves a system-dependent exponent, determined from the size ratio of its components only, and is useful for group-contribution models. The model, referred to as R-UNIFAC, is applied to the prediction of activity coefficients in the following nearly athermal mixtures: (a) alkane / alkane mixtures; (b) alkane / polymer mixtures; (c) polymer / solvent mixtures, where the activity coefficient data were obtained by constant-pressure Monte Carlo simulations. For all these mixtures the residual contribution to the activity coefficient is expected to be close to zero. The new model yields satisfactory predictions for all systems considered, independently of system asymmetry, comparable to those obtained with free-volume models such as the Entropic-FV and p-FV ones. It has the advantage, however, that it does not require pure-component liquid molar volumes and, thus, is directly applicable to systems containing compounds where such volumes are not accurately known or supercritical fluids. © 1995. (EN)
Type
journalArticle (EN)
Subject
Paraffins (EN)
Solvents (EN)
Mixtures (EN)
Molar volume (EN)
Mixtures of alkanes (EN)
Free volume (EN)
Free-volume (EN)
Chemistry, Physical (EN)
Forecasting (EN)
Activity coefficients (EN)
Thermodynamics (EN)
Engineering, Chemical (EN)
Monte Carlo methods (EN)
Supercritical fluids (EN)
Combinatorial expression (EN)
Monte Carlo simulations (EN)
Polymer solutions (EN)
Combinatorial activity coefficient (EN)
Mathematical models (EN)
Polymers (EN)
Provider
National Technical University of Athens
Repository / collection
Digital Library of National Technical University of Athens | Dspace@NTUA
Subcollections
Κεντρική Βιβλιοθήκη Ε.Μ.Π.
Ιδρυματικό Αποθετήριο
Δημοσιεύσεις μελών Δ.Ε.Π. σε περιοδικά
Journal
Fluid Phase Equilibria (EN)
Language
English
Issued
1995 (EN)
Identifier
http://hdl.handle.net/123456789/11406
ISI:A1995RL53000001 (EN)
1 (EN)
15 (EN)
0378-3812 (EN)
109 (EN)
10.1016/0378-3812(95)02718-T (EN)
Publisher
ELSEVIER SCIENCE BV (EN)
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