Effect of temperature on quantitative structure/reactivity relationships for hydrocracking polynuclear aromatics

Journal Article · Sun Dec 31 04:00:00 EST 1995 · Preprints of Papers, American Chemical Society, Division of Fuel Chemistry

OSTI ID:460126

Korre, S C; Klein, M T ^[1]

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1. Univ. of Delaware, Newark, DE (United States)

The increased interest in the molecular modeling of hydrocarbon conversion processes is motivated by the need to predict both the performance and environmental properties of the products. A molecular description of the hydrocarbon mixture is the logical starting point for these predictions, which has motivated considerable interest in the development of molecular reaction models. The construction of such models is complicated by the enormous need for rate, adsorption and equilibrium parameters. This staggering need can be reduced considerably when the homologous patterns of both compound types and their reactions in these mixtures can be recognized. This has motivated the development of a lumping approach that organizes the kinetics information in potentially thousands of rate, adsorption and equilibrium constants into the parameters of a handful (O(10)) of Quantitative Structure/Reactivity Relationships (QSRR) using the formalism of Linear Free Energy Relationships. This paper describes the hydrocracking of phenanthrene and naphthalene.

• OSTI ID: 460126
• Report Number(s): CONF-950801--
• Journal Information: Preprints of Papers, American Chemical Society, Division of Fuel Chemistry, Journal Name: Preprints of Papers, American Chemical Society, Division of Fuel Chemistry Journal Issue: 4 Vol. 40; ISSN 0569-3772; ISSN ACFPAI
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
02 PETROLEUM
99 GENERAL AND MISCELLANEOUS
ACTIVATION ENERGY
COAL LIQUIDS
CYCLOALKANES
HYDROCRACKING
MATHEMATICAL MODELS
NAPHTHALENE
PETROLEUM
PHENANTHRENE
TEMPERATURE DEPENDENCE