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HERO ID
4041031
Reference Type
Journal Article
Title
Monte Carlo simulation of adsorption process of CO and H-2 in supercritical fluids
Author(s)
Jia, YX; Guo, XY
Year
2005
Is Peer Reviewed?
Yes
Journal
Acta Physico - Chimica Sinica
ISSN:
1000-6818
Volume
21
Issue
3
Page Numbers
306-309
Language
Chinese
DOI
10.3866/PKU.WHXB20050316
Web of Science Id
WOS:000227894800016
Abstract
The Monte Carlo method was employed to investigate the adsorption isotherm of carbon monoxide and hydrogen in n-hexane with different densities. The model took into account the effects of n-hexane density on the adsorption amount and adsorption rate of carbon monoxide and hydrogen on the catalyst surface. From the simulation results, the adsorption amount of the solutes is influenced by several factors, such as the system pressure and the competitive adsorption between the solvent and solutes. When the hexane density is lower than its critical density, the increase of the system pressure can evidently enhance the adsorption of CO and H-2. However the increase of the solute adsorption becomes slow due to the competitive adsorption of the solvent when the system is in its supercritical state.
Keywords
supercritical fluids; Monte Carlo simulation; adsorption; methanol synthesis
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