The Modified Lennard-Jones and Devonshire Equation of State

Aghamiri, F.; Modarress, H.; Mansoori, G.A.

The Modified Lennard-Jones and Devonshire Equation of State

Document Type : Research note

Authors

F. Aghamiri ¹

H. modarress ²

G.A. Mansoori ³

¹ Department of chemical engineering, Isfahan university, Isfahan, Iran

² Amirkabir university of technology, Tehran, Iran

³ University of Illinois at Chicago, Chicago, USA

Abstract

Lennard-Jones-Devonshire equation of state is an old but theoretical based EOS. The concept of the nearest neighboring molecules or coordination number is proposed to be a function of temperature and volume, whereas it is a constant in the original. The dilute gas and hard sphere limits of molecules are employed to determine this function. Improvement of this modification is demonstrated by property calculations for Lennard-Jones fluid. Results of the modified LJD equation of state offer senior accord with simulation data of Lennard-Jones fluid than those of the original version.

Keywords

Lennard-Jones Fluid

Lennard-Jones Devonshire theory

Equation of state

Hard spheres

Nearest neighboring molecules