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《JOURNAL OF FUEL CHEMISTRY AND TECHNOLOGY》 1999-S1
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MOLECULAR SIMULATION OF SORPTION OF ALKANES IN SILICALITE

Wang Jianguo Qin Zhangfeng Guo Xiangyun (State Key Laboratory of Coal Conversion Institute of Coal Chemistry Chinese Academy of Sciences Taiyuan)  
The sorption of methane, ethane, propane, n-butane and I-butane has been studied by molecular simulations The sorption properties including Henry's constant, isosteric heat of adsorption, isotherms as well as adsorption site have been obtained The results shown that the isosteric heats of adsorption of methane, ethane, propane, n-butane have a relatiohship with the carbon number n of alkane as follow: Q st =11 6n+9 7 Simulations of sorbate spatial distributions shown that linear n-butane prefers to reside in the channels while bulky I-butane is forced to stay in the more spacious channel intersections
【Fund】: 国家自然科学基金!资助项目 ( 2 97730 5 7)
【CateGory Index】: TQ424.25
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【Citations】
Chinese Journal Full-text Database 1 Hits
1 Wang Jianguo Qin Zhangfeng Guo Xiangyun (State Key Laboratory of Coal Conversion Institute of Coal Chemistry Chinese Academy of Sciences Taiyuan);COMPUTER SIMULATIONS IN ZEOLITES[J];燃料化学学报;1999-S1
【Co-citations】
Chinese Journal Full-text Database 5 Hits
1 TANG Wang1,DING Jing2,HU Yu-kun2,YANG Jian-ping1,GAO Xue-nong1(1.School of Chemistry and Chemical Engineering,South China Univ.of Tech.,Guangzhou 510640,China;2.School of Engineering,Sun Yat-sen Univ.,Guangzhou 510640,China);EXPERIMENT AND MOLECULAR SIMULATION INVESTIGATION OF NO ADSORBED ON HZSM-5[J];陕西科技大学学报(自然科学版);2009-03
2 Shi Xiufeng Liu Gang and Pang Xianyong(State Key Laboratory of Coal Conversion,Institute of Coal Chemistry,The ChineseAcademy of Sciences,030001 Taiyuan; College of Chemistry and ChemicalEngineering,Taiyuan University of Technology,030024 Taiyuan);ADSORPTION HEAT OF BLAST FURNACE GAS ON A ZEOLITE[J];煤炭转化;2007-04
3 Wang Jin Zeng Fangui Ma Chili (Key Laboratory of Coal Science & Technology(Taiyuan University of Technolo gy), Ministry of Education,Shanxi Province, Research Group of Physical Chemistry of Minerals & Environmental Geochemist ry, Department of Earth Science & Engineering, Taiyuan University of Technology, Taiyuan 030024);Investigation on Molecular Simulations in Structural and Properties of Montmorillonite[J];硅酸盐通报;2005-03
4 LIU Jie-xiang~(1,2), DONG Mei~1, QIN Zhang-feng~1, WANG Jian-guo~1 cademy of Sciences, Taiyuan030001, China; 2. Graduate School of the Chinese Academy of Sciences, Beijing100039, China);Molecular simulation of C_5 paraffins sorption in AlPO_4-5 Molecular sieves[J];燃料化学学报;2004-05
5 Wang Jianguo Qin Zhangfeng Guo Xiangyun (State Key Laboratory of Coal Conversion Institute of Coal Chemistry Chinese Academy of Sciences Taiyuan);MOLECULAR SIMULATION OF SORPTION OF ALKANES IN SILICALITE[J];燃料化学学报;1999-S1
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