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4041031 
Journal Article 
Monte Carlo simulation of adsorption process of CO and H-2 in supercritical fluids 
Jia, YX; Guo, XY 
2005 
Yes 
Acta Physico - Chimica Sinica
ISSN: 1000-6818 
21 
3 
306-309 
Chinese 
WOS:000227894800016 
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. 
supercritical fluids; Monte Carlo simulation; adsorption; methanol synthesis