CPU Issues in the Representation of the Molecular Structure of Petroleum Resid through Characterization, Reaction, and Monte Carlo Modeling

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

doi:10.1021/ef00045a009

CPU Issues in the Representation of the Molecular Structure of Petroleum Resid through Characterization, Reaction, and Monte Carlo Modeling

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

Chemical Engineering and Materials Science

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27 Scopus citations

Abstract

The optimal usage of CPU resource for the optimization of resid attribute probability density functions was examined. Alternative strategies involving the use of reaction simulation and data, NMR and increased sample size were examined. The present results suggest optimization with NMR data, large molecular sample sizes, and the absence of reaction simulation as the most efficient strategy.

Original language	English (US)
Pages (from-to)	570-575
Number of pages	6
Journal	Energy and Fuels
Volume	8
Issue number	3
DOIs	https://doi.org/10.1021/ef00045a009
State	Published - May 1 1994

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title = "CPU Issues in the Representation of the Molecular Structure of Petroleum Resid through Characterization, Reaction, and Monte Carlo Modeling",

abstract = "The optimal usage of CPU resource for the optimization of resid attribute probability density functions was examined. Alternative strategies involving the use of reaction simulation and data, NMR and increased sample size were examined. The present results suggest optimization with NMR data, large molecular sample sizes, and the absence of reaction simulation as the most efficient strategy.",

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AU - Neurock, Matthew

AU - Yasar, Muzaffer

AU - Klein, Michael T.

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CPU Issues in the Representation of the Molecular Structure of Petroleum Resid through Characterization, Reaction, and Monte Carlo Modeling

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