Chem. J. Chinese Universities ›› 2001, Vol. 22 ›› Issue (2): 249.

• Articles • Previous Articles     Next Articles

A Quantum-Chemical Study on Structures and Properties of CHMI/MMA Copolymer

ZHAN Gui-Ling1,2, DAI Bai-Qing1,2, WEI Yong-De1, DONG Shao-Sheng1   

  1. 1. Department of Material Physics and Chemistry, Harbin Institute of Technology, Harbin 150001, China;
    2. Department of Chemistry, Harbin Normal University, Harbin 150080, China
  • Online:2001-02-24 Published:2001-02-24

Abstract: Ab initio calculations are carried out for the CHMI/MMAcopolymer unit. The calculated results of internal rotation energy barriers, bond energies, Mulliken populations and free volumes suggested that these parameters of CHMI/MMAcopolymer had higher values than that of PMMA, and the conclusions are in consistence with experimental results.

Key words: Copolymer, PMMA, Ab initio quantum-chemical calculation

CLC Number: 

TrendMD: