Second virial coefficient for the Lennard-Jones potential

Vargas, P.; Muñoz E; Rodríguez L.

Abstract

The second virial coefficient for the (12-6) Lennard-Jones potential and its first and second temperature derivatives are explicitly derived. All coefficients can be explicitly written as a linear combination of four modified Bessel functions which can be evaluated for every temperature with high degree of numerical accuracy. Detailed comparisons with the classical series expansion for the coefficient and its temperature derivatives are made. The use of these analytical, simple and closed formulae can be very valuable when using experimental p-V-T data to fit a Lennard-Jones potential.

Más información

Título según WOS: Second virial coefficient for the Lennard-Jones potential
Título según SCOPUS: Second virial coefficient for the Lennard-Jones potential
Título de la Revista: PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
Volumen: 290
Número: 01-feb
Editorial: Elsevier
Fecha de publicación: 2001
Página de inicio: 92
Página final: 100
Idioma: English
URL: http://linkinghub.elsevier.com/retrieve/pii/S0378437100003629
DOI:

10.1016/S0378-4371(00)00362-9

Notas: ISI, SCOPUS