Comparison between different explicit expressions of the effective hard sphere diameter of Lennard-Jones fluid: Application to self-diffusion coefficients

• Tipo: Artigo em Revista Científica Internacional
• Data: 1998

Autores

Silva, CM (Autor) Outra; Liu, HQ (Autor) Outra; Maria Eugénia Macedo (Autor) FEUP

Revista

Título: Industrial & Engineering Chemistry Research

Vol. 37

Páginas: 221-227

ISSN: 0888-5885

Editora: American Chemical Society

Indexação

ISI Web of Knowledge - 33 Citações

Scopus - 35 Citações

Outras Informações

ID Authenticus: P-001-987

DOI: 10.1021/ie970281s

Abstract (EN): The effective hard sphere diameter (EHSD) method has been widely used to calculate both equilibrium and transport properties. Various EHSD explicit equations have been proposed in the literature according to different criteria. In this work a comparison between different expressions has been carried out and suggestions are given following the comparison. As an example of the applications the EHSD method has been applied to the prediction of the selfdiffusion coefficients of the Lennard-Jones fluid, by use of the hard sphere model proposed by Erpenbeck and Wood. It is found that the temperature-dependent Boltzmann EHSD and both temperature-and density-dependent Lado modified Weeks-Chandler-Andersen EHSD give the best results.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 7