THE EQUATION OF STATE FOR MOLECULES WITH SHIFTED LENNARD-JONES PAIR POTENTIALS

Citation
Uk. Deiters et Sl. Randzio, THE EQUATION OF STATE FOR MOLECULES WITH SHIFTED LENNARD-JONES PAIR POTENTIALS, Fluid phase equilibria, 103(2), 1995, pp. 199-212
Citations number
10
Categorie Soggetti
Engineering, Chemical","Chemistry Physical
Journal title
ISSN journal
03783812
Volume
103
Issue
2
Year of publication
1995
Pages
199 - 212
Database
ISI
SICI code
0378-3812(1995)103:2<199:TEOSFM>2.0.ZU;2-O
Abstract
Compressibility factors and internal energies have been calculated for fluids with softly repulsive pair potentials by means of the Maxwell distribution method. The pair potentials used are Lennard-Jones potent ials, truncated at the minimum and with the minimum shifted towards ze ro energy. The exponent of attraction has been varied between 4 and 8, the exponent of repulsion between 8 and 40. An empirical equation of state has been developed which permits the calculation of thermodynami c properties for all truncated Lennard-Jones potentials. When this equ ation of state is substituted for the hard-sphere term in simple equat ions of state of the var der Waals type, a better representation of ca loric data is obtained, especially over the high density region.