Ab initio molecular design of catalysts for ethylene and styrene polymerization and methane to methanol conversion

Joseph Han*, Kuo Wei Huang, Robert M. Waymouth, Ankan Paul, Charles B. Musgrave

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

The catalytic mechanisms of ethylene and styrene polymerization and methane to methanol conversion by Ti-TEMPO and Catalytica, respectively, were studied. Based on insight gained from calculation of the mechanism and energetics of these reactions, several new catalysts were designed, and these catalysts were superior to those previously investigated. Experimental studies confirmed these results for the case of Ti-TEMPO polymerization and are underway for confirming new methane to methanol catalysts. This is an abstract of a paper presented at the AIChE Annual Meeting (San Francisco, CA 11/12-17/2006).

Original languageEnglish (US)
Title of host publication2006 AIChE Annual Meeting
StatePublished - 2006
Externally publishedYes
Event2006 AIChE Annual Meeting - San Francisco, CA, United States
Duration: Nov 12 2006Nov 17 2006

Other

Other2006 AIChE Annual Meeting
CountryUnited States
CitySan Francisco, CA
Period11/12/0611/17/06

ASJC Scopus subject areas

  • Biotechnology
  • Chemical Engineering(all)
  • Bioengineering
  • Safety, Risk, Reliability and Quality

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