Design of new lubricant formulations through mechanistic modeling

Jim Pfaendtner, Q. Jane Wang, Linda Broadbelt

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

Abstract

The fundamental chemistry of the oxidative degradation process as a means to developing more robust lubricant formulations was studied. Pathways-based or "lumped" methods were used in modeling the oxidative degradation of lubricants. An approach based on the principles of graph theory that represents chemical species and reactions mathematically was developed so that large reaction mechanisms can be generated automatically via computer. Only the input chemicals and allowed reaction types need to be specified, and the full reaction network is created. The reaction network might then be coupled with reactor design equations which model autoxidation conditions in real systems, thus allowing features of lubricant degradation to be predicted. Application of automated mechanism generation to synthetic model lubricants was discussed. This is an abstract of a paper presented at the AIChE Annual Meeting and Fall Showcase (Cincinnati, OH 1/04/2005).

Original languageEnglish (US)
Title of host publication05AIChE
Subtitle of host publication2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings
PublisherAmerican Institute of Chemical Engineers
Volume2005
ISBN (Print)0816909962, 9780816909964
StatePublished - Jan 1 2005
Event05AIChE: 2005 AIChE Annual Meeting and Fall Showcase - Cincinnati, OH, United States
Duration: Oct 30 2005Nov 4 2005

Other

Other05AIChE: 2005 AIChE Annual Meeting and Fall Showcase
CountryUnited States
CityCincinnati, OH
Period10/30/0511/4/05

ASJC Scopus subject areas

  • Energy(all)

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    Pfaendtner, J., Wang, Q. J., & Broadbelt, L. (2005). Design of new lubricant formulations through mechanistic modeling. In 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings (Vol. 2005). American Institute of Chemical Engineers.