| 量化计算研究乙烯与金属离子作用机理的进展 |
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| 引用本文： | 张永春,韩美,周东霞,周锦霞.量化计算研究乙烯与金属离子作用机理的进展[J].低温与特气,2005,23(6):4-7. |
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| 作者姓名： | 张永春 韩美 周东霞 周锦霞 |
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| 作者单位： | 大连理工大学,辽宁,大连,116012;光明化工研究设计院,辽宁,大连,116031;锦州石化,设计院,辽宁,锦州,121100 |
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| 摘 要： | 设计或改进吸附剂，必须了解吸附作用机理及影响吸附效果的因素。近几年国内外一些学者采用量化计算对乙烯与金属离子的吸附特性作了一系列的研究，为该领域的深入发展奠定了理论基础。对量化计算研究乙烯与金属离子作用机理所取得的成果进行了综述。
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| 关 键 词： | 量化计算 吸附机理 乙烯 金属离子 |
| 文章编号： | 1007-7804（2005）06-0004-04 |
| 收稿时间： | 2005-08-02 |
| 修稿时间： | 2005年8月2日 |
Quantum Mechanical Calculation Study of Mechanisms ofC2H4-Metal Ion Adsorptions: A Review |
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| ZHANG Yong-chun,HAN Mei,ZHOU Dong-xia,ZHOU Jin-xia.Quantum Mechanical Calculation Study of Mechanisms ofC2H4-Metal Ion Adsorptions: A Review[J].Low Temperature and Specialty Gases,2005,23(6):4-7. |
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| Authors: | ZHANG Yong-chun HAN Mei ZHOU Dong-xia ZHOU Jin-xia |
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| Affiliation: | 1. Dalian University of Technology, Dalian 116012 , China; Guangming Research and Design Institute of Chemical Industry, Dalian 116031 , China 3. Jinzhou Petrochemical Design Institute, Jinzhou 121100 , China |
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| Abstract: | Rational design and synthesis of high efficient adsorbent requires a fundamental understanding of the interaction between adsorbate and adsorbent. Recently, rapid progress in molecular orbital theory calculations based on quantum mechanics has been used to study the nature of C2H4-metal ion adsorption. The purpose of this paper is to introduce the resent progresses in the study of the natures of C2H4-metal ion adsorptions by employing quantum mechanical calculation. |
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| Keywords: | quantum mechanical calculation adsorbing mechanism C2H4 metal ion |
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