量化计算研究乙烯与金属离子作用机理的进展  

Quantum Mechanical Calculation Study of Mechanisms of C_2H_4-Metal Ion Adsorptions: A Review

作　　者：张永春[1] 韩美[2] 周东霞 周锦霞[1] 

机构地区：[1]大连理工大学,辽宁大连116012 [2]光明化工研究设计院,辽宁大连116031 [3]锦州石化设计院,辽宁锦州121100

出　　处：《低温与特气》2005年第6期4-7,共4页Low Temperature and Specialty Gases

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。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.

关 键 词：量化计算 吸附机理 乙烯 金属离子 

分 类 号：O647.31[理学—物理化学]