Influences of Brnsted Acidic Sites in HZSM-5 on Polarization and Electronegativity of Ethene Studied by Molecular Dynamics |
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作者姓名: | 樊建芬 肖鹤鸣 王秋霞 夏其英 |
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作者单位: | FAN,Jian Fen XIAO,He Ming van de GRAAF,B. WANG,Qiu Xia NJO,S. L. c XIA,Qi Ying aDepartment of Chemistry,Suzhou University,Suzhou,Jiangsu 215006,China bDepartment of Chemistry,Nanjing University of Science and Technolog |
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基金项目: | ProjectsupportedbytheNationalNaturalScienceFoundationofChina (No.2 97730 2 1)andEducationFoundationofJiangsuProvince(No.98KJB15 0 0 0 1) . |
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摘 要: | IntroductionZeolites ,microporousaluminosilicalites ,anextraor dinarilydiverseandexcitingclassofadvancedinorganicmaterials ,areknownfortheircatalyticandshape specificpropertiesconcernedwiththeirmicroporousstructures .Adsorption ,polarizationandsubsequentdi…
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关 键 词: | molecular dynamics simulation ethene polarization electronegativity HZSM 5 Brnsted acidic sites |
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