Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/54438
Title: A molecular-based model for normal fluid mixtures: Perturbed Lennard- Jones chain equation of state
Authors: Lee, Y.P.
Chiew, Y.C. 
Rangaiah, G.P. 
Issue Date: 2000
Source: Lee, Y.P.,Chiew, Y.C.,Rangaiah, G.P. (2000). A molecular-based model for normal fluid mixtures: Perturbed Lennard- Jones chain equation of state. Industrial and Engineering Chemistry Research 39 (5) : 1497-1504. ScholarBank@NUS Repository.
Abstract: The perturbed Lennard-Jones chain (PLJC) equation of state, previously used for pure fluids, is extended to normal fluid mixtures. The PLJC equation utilizes the hard-sphere chain mixture as the reference system, while the perturbation term is derived based on the first-order variational theory. Binary vapor-liquid equilibrium data of a wide range of fluids were well described by this model through the use of one binary parameter k(ij). We showed that the PLJC equation of state was able to predict vapor-liquid equilibrium fairly accurately using binary data. Also, the PLJC equation is able to model retrograde condensation and liquid-liquid-vapor three-phase equilibrium of ternary mixtures without the need to reevaluate binary parameters. Theoretical phase equilibrium compositions were determined through an isothermal isobaric flash calculation based on global minimization of the Gibbs free energy using a genetic algorithm.
Source Title: Industrial and Engineering Chemistry Research
URI: http://scholarbank.nus.edu.sg/handle/10635/54438
ISSN: 08885885
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

Page view(s)

22
checked on Dec 15, 2017

Google ScholarTM

Check


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.