METASTABLE AND UNSTABLE FLUID STATES BY MOLECULAR SIMULATION

Authors
WATSON BS GREENKORN RA CHAO KC
Citation
Bs. Watson et al., METASTABLE AND UNSTABLE FLUID STATES BY MOLECULAR SIMULATION, Industrial & engineering chemistry research, 35(11), 1996, pp. 4336-4341
Citations number
15
Categorie Soggetti
Engineering, Chemical
Journal title
Industrial & engineering chemistry research → ACNP
ISSN journal
08885885
Volume
35
Issue
11
Year of publication
1996
Pages
4336 - 4341
Database
ISI
SICI code
0888-5885(1996)35:11<4336:MAUFSB>2.0.ZU;2-Y
Abstract
A method of determination of thermodynamic properties of metastable an d unstable fluid states by molecular simulation is presented. As illus trative examples spinodal and binodal states are calculated for the Le nnard-Jones fluid, ethane, and n-butane using the optimized potentials for liquid simulations for the representation of the real molecules.