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Computer Simulations of Adsorption Characteristics of Carbon Dioxide in Slit Graphite Pores

✍ Scribed by Qingyuan Yang; Chongli Zhong

Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
901 KB
Volume
82
Category
Article
ISSN
0008-4034

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✦ Synopsis

Abstract

An extensive grand canonical Monte Carlo simulation has been performed to study the adsorption behavior and the orientational structure of CO~2~ confined in slit graphite pores, with a wide pore width range of 0.61 to 3.04 nm and pressures up to 3.41 MPa. The simulation results show that the minimum pore width for the adsorption of CO~2~ is 0.57 nm, the maximum adsorption occurs at pore width H = 2.43 nm and pressure P = 2.56β€”3.41 MPa, and capillary condensation takes place only for H>2 nm. It is also found that the wall‐perpendicular orientation becomes preferential with the increase of pressure.

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