Simulation of CO2 Adsorption to Enhance Adsorbent Material Efficiency
Keyword(s):
Computer simulation techniques have gained many attentions. The objective of this research was to study influence of the exchangeable cations of Group 1A (Li+, Na+, K+, Rb+, Cs+) on the CO2 adsorption in the system using Grand Canonical Monte Carlo (GCMC) simulation. In this simulation, zeolite is a simulation box. The interaction potential simulation with Lennnard-Jones potential showed that Li+ and CO2 had the greatest molecular attraction with Li+ having the highest number of CO2 molecules in the simulation box. The number of CO2/molecules in the simulation box are as followed with Li+ > Na+ > K+ > Rb+ > Cs+.
1998 ◽
Vol 41
(4)
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pp. 145-155
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1996 ◽
Vol 100
(10)
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pp. 4256-4260
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1985 ◽
Vol 70
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pp. 211-216
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2012 ◽
Vol 41
(7)
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pp. 285-289
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2002 ◽
Vol 38
(03)
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pp. 135
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