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

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 proceeding › Conference contribution › peer-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 language	English (US)
Title of host publication	2006 AIChE Annual Meeting
State	Published - 2006
Externally published	Yes
Event	2006 AIChE Annual Meeting - San Francisco, CA, United States Duration: Nov 12 2006 → Nov 17 2006

Other

Other	2006 AIChE Annual Meeting
Country/Territory	United States
City	San Francisco, CA
Period	11/12/06 → 11/17/06

ASJC Scopus subject areas

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

Cite this

@inproceedings{b23875a0c8244bf293590c4f191bc637,

title = "Ab initio molecular design of catalysts for ethylene and styrene polymerization and methane to methanol conversion",

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).",

author = "Joseph Han and Huang, {Kuo Wei} and Waymouth, {Robert M.} and Ankan Paul and Musgrave, {Charles B.}",

year = "2006",

language = "English (US)",

isbn = "081691012X",

booktitle = "2006 AIChE Annual Meeting",

note = "2006 AIChE Annual Meeting ; Conference date: 12-11-2006 Through 17-11-2006",

}

TY - GEN

T1 - Ab initio molecular design of catalysts for ethylene and styrene polymerization and methane to methanol conversion

AU - Han, Joseph

AU - Huang, Kuo Wei

AU - Waymouth, Robert M.

AU - Paul, Ankan

AU - Musgrave, Charles B.

PY - 2006

Y1 - 2006

N2 - 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).

AB - 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).

UR - http://www.scopus.com/inward/record.url?scp=58049121703&partnerID=8YFLogxK

M3 - Conference contribution

AN - SCOPUS:58049121703

SN - 081691012X

SN - 9780816910120

BT - 2006 AIChE Annual Meeting

T2 - 2006 AIChE Annual Meeting

Y2 - 12 November 2006 through 17 November 2006

ER -

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

Abstract

Other

ASJC Scopus subject areas

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