Strategies for constructing reaction networks of lubricant degradation

Jim Pfaendtner, Linda J Broadbelt*, Q Jane Wang

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Automated mechanism generation is an essential tool to be able to create mechanistic models of lubricant degradation chemistry. Detailed reaction mechanisms of lubricant degradation are presented. Using the principles of automated mechanism generation and the hierarchy of rate constant specification, the applicability of this approach to hydrocarbon oxidation is tested. Reaction mechanisms of the oxidation of ethylbenzene, propane, and octane are successfully constructed. These mechanisms derive insights about lubricant degradation chemistry while working with smaller, more tractable systems. Using automated mechanism generation and available kinetic data from the literature, these systems are modeled very well. This is an abstract of a paper presented at the World Tribology Congress III (Washington, DC 9/12-16/2005).

Original languageEnglish (US)
Title of host publicationProceedings of the World Tribology Congress III - WTC 2005
StatePublished - Dec 1 2005
Event2005 World Tribology Congress III - Washington, D.C., United States
Duration: Sep 12 2005Sep 16 2005

Other

Other2005 World Tribology Congress III
CountryUnited States
CityWashington, D.C.
Period9/12/059/16/05

ASJC Scopus subject areas

  • Energy(all)

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