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Influences of Brnsted Acidic Sites in HZSM-5 on Polarization and Electronegativity of Ethene Studied by Molecular Dynamics
作者姓名:樊建芬  肖鹤鸣  王秋霞  夏其英
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
基金项目:ProjectsupportedbytheNationalNaturalScienceFoundationofChina (No.2 97730 2 1)andEducationFoundationofJiangsuProvince(No.98KJB15 0 0 0 1) .
摘    要:IntroductionZeolites ,microporousaluminosilicalites ,anextraor dinarilydiverseandexcitingclassofadvancedinorganicmaterials ,areknownfortheircatalyticandshape specificpropertiesconcernedwiththeirmicroporousstructures .Adsorption ,polarizationandsubsequentdi…

关 键 词:molecular dynamics simulation   ethene   polarization   electronegativity   HZSM 5   Brnsted acidic sites
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