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Molecular simulations of methane, ethane and propane adsorption on TON

Molecular simulations of methane, ethane and propane adsorption on TON
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摘要 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. 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.
作者 Cheng PENG Zhi LI Xiao-min SUN
机构地区 Department of Chemistry College of Water Conservancy The Environment Research Institute of Shandong University
出处 《Journal of Zhejiang University-Science A(Applied Physics & Engineering)》 SCIE EI CAS CSCD 2009年第11期1636-1641,共6页 浙江大学学报（英文版）A辑（应用物理与工程）
基金 Project (No. 20873074) supported by the National Natural Science Foundation of China
关键词 Monte Carlo simulations ZEOLITE ADSORPTION 吸附等温线 分子模拟 甲烷 丙烷 乙烷 模拟目标 蒙特卡罗 实验数据
分类号 O647.3 [理学—物理化学] TQ424.25 [化学工程]
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参考文献11

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Journal of Zhejiang University-Science A(Applied Physics & Engineering)
2009年 第11期

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