稀土异戊橡胶催化剂活性研究进展.pdf

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CHEMICAL INDUSTRY AND ENGINEERING PROGRESS
2015年第34卷第3期
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综述与专论
稀士异戍橡胶催化剂活性研究进展
项曙光,王继叶2
(青岛科技大学过程系统工程研究所,山东青岛266042:2青岛伊科思新材料股份有限公司,山东青岛
266604)
摘要:稀土异櫲胶催化剂的活性研究不但具有实际应用价値,也具有重要的理论意义。本文回顾了自稀土异
戊橡胶催化荆面世至今的50年间,其催化活性的实验研究与理论硏究进晨情况。分析表明,虽然实验研究使活
性提高了至少两个数量级,但催化剂中稀土金属的利用率只有10%左右,理论上活性至少还有9倍左右的提升
潜力,而近年来关于活性的实验研究进展不大;另外,最近基于量子化学计算的催化活性理论研究表明,密
度泛函、相对论效应、有效芯势等理论与方法提高了镧系稀土化合物计算的准确性与高效性,为其理论研究创
造了条件。指出未来研究的发展方向是将实验研究与理论研究相结合,建立催化剂活性与结构间的定量构效关
系,用以指导稀土异戊橡胶催化剂的优化设计
关键词:催化剂;活性;稀土异成橡胶;实验研究;理论研究
中图分类号:TQ333.3
文献标志码:A
文章编号:1000-6613(2015)03-0720-04
DOI:10.16085 7. issn.10006613.,2015-.03.021
Research progress in catalyst activity in Nd-catalyzed isoprene rubber
XIANG Shuguang, WANG Jiye
Institute of Process Systems Engineering, Qingdao University of Science &Technology, Qingdao 266042, Shandong
China; Qingdao Yikesi New Material Co, Ltd, Qingdao 266604, Shandong, China)
Abstract: The study on catalyst activity in Nd-atalized isoprene rubber(NDIR)is of practical value
and theoretical significance. In this paper, both experimental and theoretical researches on the activity
of catalyst in NDIR are reviewed since it was born 50 years ago. It is indicated that the effective
percentage of neodymium is only 10% or so, although the activity has been increased by at least two
orders of magnitude through experimental researches, i.e. there is a theoretical room at least 9 times for
activity improvement. In recent years, the experimental research progress is slow. On the other hand
recent theoretical researches on catalyst activity based on quantum chemical calculation indicate that
quantum chemistry theory and methods, such as DFT, relativistic effect, effective core potential
(ECP), etc have improved the acuracy and efficiency for quantum chemical caculation of lanthanide
compounds, which facilitates the research on catalyst activity of Ndr. The tuture research progress
will be achieved in combining experimental and theoretical research to build a qantitative
structure-activity relationship(QSAR )for developing more active catalysts
Key words: catalyst; activity; Nd-catalized isoprene rubber; experimental research; theoretical research
异戊二烯在配位聚合催化剂的作用下进行定向
聚合,可合成高1,4-顺式结构含量的聚异戊二烯,收稿目期:20140904:修改稿日期:20410-23
即异戊橡胶( isoprene rubber,IR),它可替代天然
基金项目:国家自然科学基金项目(21476119)。
第一作者及联系人:项曙光(1963-),男,博士,教授,博士生导
橡胶用来制造轮胎、运输带、胶管、胶鞋和医药包师。E-mailXsg@qust.edu.cn