Determination of absolute adsorption for argon on flat surfaces under sub- and supercritical conditions

Phadungbut, Poomiwat, Fan, Chunyan, Do, D. D., Nicholson, D. and Tangsathitkulchai, Chaiyot (2015) Determination of absolute adsorption for argon on flat surfaces under sub- and supercritical conditions. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 480 19-27. doi:10.1016/j.colsurfa.2015.04.011

Attached Files (Some files may be inaccessible until you login with your UQ eSpace credentials)
Name Description MIMEType Size Downloads

Author Phadungbut, Poomiwat
Fan, Chunyan
Do, D. D.
Nicholson, D.
Tangsathitkulchai, Chaiyot
Title Determination of absolute adsorption for argon on flat surfaces under sub- and supercritical conditions
Journal name Colloids and Surfaces A: Physicochemical and Engineering Aspects   Check publisher's open access policy
ISSN 1873-4359
0927-7757
Publication date 2015-09-05
Sub-type Article (original research)
DOI 10.1016/j.colsurfa.2015.04.011
Open Access Status File (Author Post-print)
Volume 480
Start page 19
End page 27
Total pages 9
Place of publication Amsterdam, Netherlands
Publisher Elsevier
Collection year 2016
Language eng
Abstract A new method, employing computer simulation, is proposed for the determination of the location of the interface separating the adsorbed phase from the adjacent gas phase, giving a means to calculate the “absolute” amount adsorbed. The method involves monitoring the fraction of successful insertions of molecules into differential volumes in the simulation box. By applying the concept of equal areas, as implemented in the determination of the Gibbs dividing surface, for the profile of the fraction of success versus distance, we are able to determine the location of the interface bounding the adsorbed phase. This allows us to find (1) the thickness of the adsorbed phase, (2) the absolute surface density (absolute loading) and (3) the volumetric density of the adsorbed phase, as functions of pressure. Knowing the absolute surface density as a function of pressure at different temperatures, we are able to calculate the heat of adsorption as a function of loading, using the Clausius–Clapeyron equation and to show that this is consistent with the heat obtained from the fluctuation formula in grand canonical Monte Carlo simulations.
Keyword Absolute adsorption
Adsorption
Graphite
Monte Carlo simulation
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemical Engineering Publications
Official 2016 Collection
 
Versions
Version Filter Type
Citation counts: TR Web of Science Citation Count  Cited 1 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 3 times in Scopus Article | Citations
Google Scholar Search Google Scholar
Created: Tue, 12 May 2015, 00:18:15 EST by System User on behalf of Scholarly Communication and Digitisation Service