CPU issues in the representation of the molecular structure of petroleum resid through characterization, reaction, and Monte Carlo modelling

Thomas F. Petti; Daniel M. Trauth; Scott M. Starck; Matthew Neurock; Muzaffer Yasar; Michael T. Klein

CPU issues in the representation of the molecular structure of petroleum resid through characterization, reaction, and Monte Carlo modelling

Thomas F. Petti, Daniel M. Trauth, Scott M. Starck, Matthew Neurock, Muzaffer Yasar, Michael T. Klein

Chemical Engineering and Materials Science

Research output: Contribution to journal › Conference article › peer-review

1 Scopus citations

Abstract

The vigor in the development of molecule-based reaction models for petroleum feedstocks is a result of two broad forces. First, being based at the molecular level and therefore embracing fundamental physical-organic chemistry, molecular reaction models are reasonably anticipated to provide better predictions and allow for extrapolation. Second, new questions of unprecedented molecular detail are being asked of models. The Clean Air Act Amendments of 1990 ensure that concentrations of both molecular groups and individual species will be relevant issues in future refinery operations.

Original language	English (US)
Pages (from-to)	440-445
Number of pages	6
Journal	American Chemical Society, Division of Petroleum Chemistry, Preprints
Volume	38
Issue number	2
State	Published - Mar 1 1993
Event	Symposium on Resid Upgrading presented at the 205th National Meeting of the American Chemical Society - Denver, CO, USA Duration: Mar 28 1993 → Apr 2 1993

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CPU issues in the representation of the molecular structure of petroleum resid through characterization, reaction, and Monte Carlo modelling. / Petti, Thomas F.; Trauth, Daniel M.; Starck, Scott M. et al.

In: American Chemical Society, Division of Petroleum Chemistry, Preprints, Vol. 38, No. 2, 01.03.1993, p. 440-445.

Research output: Contribution to journal › Conference article › peer-review

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AU - Trauth, Daniel M.

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AU - Neurock, Matthew

AU - Yasar, Muzaffer

AU - Klein, Michael T.

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AB - The vigor in the development of molecule-based reaction models for petroleum feedstocks is a result of two broad forces. First, being based at the molecular level and therefore embracing fundamental physical-organic chemistry, molecular reaction models are reasonably anticipated to provide better predictions and allow for extrapolation. Second, new questions of unprecedented molecular detail are being asked of models. The Clean Air Act Amendments of 1990 ensure that concentrations of both molecular groups and individual species will be relevant issues in future refinery operations.

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Y2 - 28 March 1993 through 2 April 1993

ER -

CPU issues in the representation of the molecular structure of petroleum resid through characterization, reaction, and Monte Carlo modelling

Abstract

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