Adsorption behaviors of CO2 and CH4 on zeolites JSR and NanJSR using the GCMC simulations

The adsorption behaviors of CO 2 and CH 4 on new siliceous zeolites JSR and Na n JSR ( n  = 2, 8, 16) were simulated using the Grand Canonical Monte Carlo method. The adsorption isotherms of CO 2 became higher with an increase in the Na + number at a low pressure range (850 kPa). With an increase in...

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Bibliographic Details
Published in:Adsorption : journal of the International Adsorption Society 2016, Vol.22 (8), p.1065-1073
Main Authors: Chu, Xiao-zhong, Liu, Song-song, Zhou, Shou-yong, Zhao, Yi-jiang, Xing, Wei-hong, Lee, Chang-Ha
Format: Article
Language:English
Subjects:
Adsorption
Affinity
Carbon dioxide
Chemistry
Chemistry and Materials Science
Crossovers
Engineering Thermodynamics
Heat and Mass Transfer
Industrial Chemistry/Chemical Engineering
Isotherms
Low pressure
Methane
Monte Carlo simulation
Pressure swing adsorption
Selectivity
Surfaces and Interfaces
Thin Films
Zeolites
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Summary:The adsorption behaviors of CO 2 and CH 4 on new siliceous zeolites JSR and Na n JSR ( n  = 2, 8, 16) were simulated using the Grand Canonical Monte Carlo method. The adsorption isotherms of CO 2 became higher with an increase in the Na + number at a low pressure range (850 kPa). With an increase in Na + number, the pore volume decreased as the pore space was occupied by increasing Na + ions. Additionally, two energy peaks on the interaction energy curves implied that CO 2 was adsorbed on two active sites. On the other hand, the adsorption amount of CH 4 decreased with an increase in the Na + number and only one energy peak was observed. Adsorption isotherms were well fitted with the Langmuir and Freundlich equations up to 1000 kPa and the adsorption affinity of CO 2 on Na 16 JSR zeolite was highest. The adsorption capacities of CO 2 in the studied zeolites were up to 38 times higher than those of CH 4 . Diffusion constants of CO 2 and CH 4 decreased with an increase in the adsorbed amount and Na + number. Considering the adsorbed amount, adsorption selectivity and affinity, zeolites JSR with a low Na + number (JSR and Na 2 JSR) is a good candidate for a pressure swing adsorption in the separation of CO 2 /CH 4 mixture whereas JSR zeolites with high Na + ratios (Na 16 JSR and Na 8 JSR) may be a better selection for a vacuum swing adsorption.
ISSN:0929-5607
1572-8757
DOI:10.1007/s10450-016-9816-7