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Received: 2009-01-23

Revision Accepted: 2009-04-27

Crosschecked: 2009-09-10

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Journal of Zhejiang University SCIENCE A 2009 Vol.10 No.11 P.1636~1641


Molecular simulations of methane, ethane and propane adsorption on TON

Author(s):  Cheng PENG, Zhi LI, Xiao-min SUN

Affiliation(s):  Department of Chemistry, Tongji University, Shanghai 200092, China; more

Corresponding email(s):   Knight_lizhi@yahoo.com.cn

Key Words:  Monte Carlo simulations, Zeolite, Adsorption

Cheng PENG, Zhi LI, Xiao-min SUN. Molecular simulations of methane, ethane and propane adsorption on TON[J]. Journal of Zhejiang University Science A, 2009, 10(11): 1636~1641.

@article{title="Molecular simulations of methane, ethane and propane adsorption on TON",
author="Cheng PENG, Zhi LI, Xiao-min SUN",
journal="Journal of Zhejiang University Science A",
publisher="Zhejiang University Press & Springer",

%0 Journal Article
%T Molecular simulations of methane, ethane and propane adsorption on TON
%A Cheng PENG
%A Zhi LI
%A Xiao-min SUN
%J Journal of Zhejiang University SCIENCE A
%V 10
%N 11
%P 1636~1641
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%D 2009
%I Zhejiang University Press & Springer
%DOI 10.1631/jzus.A0920060

T1 - Molecular simulations of methane, ethane and propane adsorption on TON
A1 - Cheng PENG
A1 - Zhi LI
A1 - Xiao-min SUN
J0 - Journal of Zhejiang University Science A
VL - 10
IS - 11
SP - 1636
EP - 1641
%@ 1673-565X
Y1 - 2009
PB - Zhejiang University Press & Springer
ER -
DOI - 10.1631/jzus.A0920060

The aim of this study was to understand and characterize the adsorption of small alkanes, namely methane, ethane and propane, in zeolite TON through detailed monte Carlo simulations. The isotherms of pure components were calculated and showed good agreement with experimental data. The adsorption positions, adsorption energy of pure components and isotherms of mixtures were also simulated and the results are discussed.

Darkslateblue:Affiliate; Royal Blue:Author; Turquoise:Article


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