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个人信息Personal Information
教授
博士生导师
硕士生导师
主要任职：盘锦校区管委会副主任兼教学与科研工作部部长
性别：男
毕业院校：大连理工大学
学位：博士
所在单位：化工学院
学科：工业催化. 物理化学
办公地点：化工实验楼B427
联系方式：18641143913
电子邮箱：guoxw@dlut.edu.cn
金属盐阴离子和阳离子对乙烯络合吸附性能影响
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发表时间：2022-10-09
发表刊物：大连理工大学学报
期号：2
页面范围：175-178
ISSN号：1000-8608
摘要：An ab initio molecular orbital study was performed to determine the effects of anion and cation on C2H4 adsorption on MX (M = Ag, Cu; X = F, Cl, Br, I). The calculation results show that; both anion and cation have obvious effects on performance of CH4 adsorption; the following trends of anion and cation effects were obtained for the adsorption of C2H4 on MX:F->Cl->Br->I- for anions, and Cu+>Ag+ for cations. The detailed analytical results of atomic charge, electronic distribution and orbital energy using natural bond orbital (NBO) theory can explain the reason that ations and cations have significant effects on the adsorption of C2H4 with metal halides.
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