Monte Carlo computer simulation of adsorption of diatomic fluids in slitlike pores

A. Vishnyakov, E. M. Piotrovskaya, E. N. Brodskaya

Research output: Contribution to journalArticlepeer-review

26 Citations (Scopus)

Abstract

Monte Carlo simulations in the canonical ensemble were carried out to investigate the dependence of the behavior of ethane and a model system (when molecules are longer than ethane) in the adsorbing slitlike pores on the average density, the force of the adsorption field, and the temperature. In the nearest to the walls adsorbed layers the tendency of ethane to orientational transitions was revealed when the temperature was decreased from 180 to 160 K. There are no orientational transitions in the systems of the molecules longer than ethane. At T = 140 K the orientation of ethane molecules perpendicular to the walls is absolutely preferential.

Original languageEnglish
Pages (from-to)3643-3649
Number of pages7
JournalLangmuir
Volume12
Issue number15
DOIs
Publication statusPublished - 24 Jul 1996
Externally publishedYes

Fingerprint

Dive into the research topics of 'Monte Carlo computer simulation of adsorption of diatomic fluids in slitlike pores'. Together they form a unique fingerprint.

Cite this