文献类型：期刊文献

中文题名：SIMULATION MODELING ON THE COORDINATION MECHANISM OF ETHYLENE MONOMER ON VARIOUS PREREDUCED Cr（Ⅱ）Ox/SiO2 PHILLIPS POLYETHYLENE MODEL CATALYSTS

英文题名：SIMULATION MODELING ON THE COORDINATION MECHANISM OF ETHYLENE MONOMER ON VARIOUS PREREDUCED Cr（Ⅱ）Ox/SiO2 PHILLIPS POLYETHYLENE MODEL CATALYSTS

作者：刘柏平[1]

机构：[1]State Key Lab of Chemical Engineering,East China University of Science and Technology,Mei Long Road 130,Shanghai 200237,China

年份：2008

卷号：26

期号：5

起止页码：579

中文期刊名：Chinese Journal of Polymer Science

外文期刊名：高分子科学（英文版）

收录：CSTPCD;;Scopus;CSCD:【CSCD2011_2012】；

基金：the National Natural Science Foundation of China(No.20744004 and No.20774025).

语种：中文

中文关键词：Phillips catalyst（CrO_x/SiO_2）; Polyethylene; Model catalysts; Density functional theory（DFT）; Paired interacting orbitals（PIO）.;

外文关键词：Phillips catalyst（CrO_x/SiO_2）; Polyethylene; Model catalysts; Density functional theory（DFT）; Paired interacting orbitals（PIO）.;

摘要：As one of the most important catalysts in polyethylene industry,Phillips catalyst(CrO_x/SiO_2)was quite unique for its activation by ethylene monomer without using any activator like alkyl-aluminium or MAO.In this work,the density functional theory(DFT)calculation combined with paired interacting orbitals(PIO)method was applied for the theoretical studies on coordination reaction mechanism between ethylene monomer and two model catalysts namely Cr(Ⅱ)(OH)_2(M1) and silsesquioxane-supported Cr(Ⅱ)(M2)as surfac...
As one of the most important catalysts in polyethylene industry,Phillips catalyst(CrO_x/SiO_2)was quite unique for its activation by ethylene monomer without using any activator like alkyl-aluminium or MAO.In this work,the density functional theory(DFT)calculation combined with paired interacting orbitals(PIO)method was applied for the theoretical studies on coordination reaction mechanism between ethylene monomer and two model catalysts namely Cr(Ⅱ)(OH)_2(M1) and silsesquioxane-supported Cr(Ⅱ)(M2)as surfac...