| CO_2、CH_4在全硅MFI和MFI(2Na~+)沸石吸附的分子模拟 |
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| 引用本文： | 钱焕群,李保瑞,张林华.CO_2、CH_4在全硅MFI和MFI(2Na~+)沸石吸附的分子模拟[J].离子交换与吸附,2011,27(6). |
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| 作者姓名： | 钱焕群 李保瑞 张林华 |
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| 作者单位： | 1. 可再生能源建筑利用技术省部共建教育部重点实验室,济南250101;山东省建筑节能技术重点实验室,济南250101;山东建筑大学热能工程学院,济南250101
2. 山东建筑大学热能工程学院,济南,250101 |
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| 基金项目： | 山东省自然科学基金(Y2008F18,Y2007F79); 山东省教育厅研究课题(J08LJ070) |
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| 摘 要： | 采用巨正则蒙特卡洛(GCMC)方法研究了CO2、CH4在全硅MFI沸石和MFI(2Na+)沸石中的吸附行为,计算获得了CO2、CH4在两种架构中的吸附等温线、吸附能量分布曲线和粒子云分布图,结果表明,CO2、CH4纯组分在较低压力下即有较高的吸附量,并且吸附量随压力的升高而增加,随温度的升高而小幅减少,其混合组分在两架构中均发生明显的竞争吸附行为;Na+的存在可提高MFI型沸石对CO2的吸附能力并改善其选择性。
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| 关 键 词： | CO2 全硅MFI沸石 MFI(2Na )沸石 吸附 蒙特卡洛 |
MOLECULAR SIMULATION OF CO_2,CH_4 ADSORPTIONIN ALL-SILICA MFI and MFI(2Na~+) ZEOLITES |
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| QIAN Huanqun,LI Baorui,ZHANG Linhua.MOLECULAR SIMULATION OF CO_2,CH_4 ADSORPTIONIN ALL-SILICA MFI and MFI(2Na~+) ZEOLITES[J].Ion Exchange and Adsorption,2011,27(6). |
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| Authors: | QIAN Huanqun LI Baorui ZHANG Linhua |
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| Institution: | QIAN Huanqun1,2,3 LI Baorui3 ZHANG Linhua1,31 Key Laboratory of Renewable Energy Utilization Technologies in Buildings,Ministry of Education,Jinan 250101,China2 Shandong Key Laboratory of Building Energy-saving Technique,China3 School of Thermal Energy Engineering,Shandong Jianzhu University,China |
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| Abstract: | Adsorption behaviors of single and binary of CO2,CH4,CO2 and CH4 in all-silica MFI and MFI(2Na+) zeolites were simulated using Grand Canonical Monte Carlo method(GCMC).Adsorption isotherms,adsorption energies distributions and mass clouds distributions of the above gases in two types of adsorbents were obtained.The results showed that amounts of two pure components adsorbed in the two adsorbents were higher at low pressure,and increased with pressure and decreased slightly with temperature.For the binary mi... |
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| Keywords: | CO2 All-silica MFI zeolite MFI(2Na ) zeolite Adsorption Monte Carlo |
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