skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Isomerization of methyl linoleate on ruthenium(III) alkoxide complex; Mathematical modeling

Abstract

The isomerization of methyl linoleate using ruthenium alkoxide complexes is described. With alcohols, such as isopropyl alcohol (IPA), 1-butanol, 1-hexanol, and 1-octanol, isomerization of double bonds to produce a conjugated system is the main reaction, with hydrogenation being the side reaction. The latter is formed via the conjugated product. Based on kinetic and infrared spectroscopic data, it is concluded that the active catalytic species is a ruthenium hydride complex formed by the decomposition of the unstable alkoxide. The reaction is mathematically modeled, and the rate parameters are obtained by fitting the simulation to experimental data. These values are compared with data obtained from reactions carried out with supported ruthenium-nickel heterogeneous catalyst.

Authors:
; ; ;
Publication Date:
OSTI Identifier:
5207965
Resource Type:
Journal Article
Journal Name:
IEEE Transactions on Energy Conversion; (USA)
Additional Journal Information:
Journal Volume: 28:8; Journal ID: ISSN 0885-8969
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; BUTANOLS; CATALYTIC CRACKING; HEXANOLS; LINOLEIC ACID; METHYLATION; NICKEL; CATALYTIC EFFECTS; OCTANOLS; RUTHENIUM COMPLEXES; ALKOXIDES; CATALYST SUPPORTS; CHEMICAL BONDS; CHEMICAL REACTION KINETICS; EXPERIMENTAL DATA; HYDROGENATION; INFRARED SPECTRA; ISOMERIZATION; ISOPROPYL RADICALS; MATHEMATICAL MODELS; SIMULATION; ALCOHOLS; ALKYL RADICALS; CARBOXYLIC ACIDS; CHEMICAL REACTIONS; COMPLEXES; CRACKING; DATA; DECOMPOSITION; ELEMENTS; HYDROXY COMPOUNDS; INFORMATION; KINETICS; METALS; MONOCARBOXYLIC ACIDS; NUMERICAL DATA; ORGANIC ACIDS; ORGANIC COMPOUNDS; PYROLYSIS; RADICALS; REACTION KINETICS; SPECTRA; THERMOCHEMICAL PROCESSES; TRANSITION ELEMENT COMPLEXES; TRANSITION ELEMENTS; 400201* - Chemical & Physicochemical Properties; 990200 - Mathematics & Computers

Citation Formats

Mukesh, D, Narasimhan, C S, Ramnarayan, K, and Deshpande, V M. Isomerization of methyl linoleate on ruthenium(III) alkoxide complex; Mathematical modeling. United States: N. p., 1989. Web. doi:10.1021/ie00092a022.
Mukesh, D, Narasimhan, C S, Ramnarayan, K, & Deshpande, V M. Isomerization of methyl linoleate on ruthenium(III) alkoxide complex; Mathematical modeling. United States. https://doi.org/10.1021/ie00092a022
Mukesh, D, Narasimhan, C S, Ramnarayan, K, and Deshpande, V M. 1989. "Isomerization of methyl linoleate on ruthenium(III) alkoxide complex; Mathematical modeling". United States. https://doi.org/10.1021/ie00092a022.
@article{osti_5207965,
title = {Isomerization of methyl linoleate on ruthenium(III) alkoxide complex; Mathematical modeling},
author = {Mukesh, D and Narasimhan, C S and Ramnarayan, K and Deshpande, V M},
abstractNote = {The isomerization of methyl linoleate using ruthenium alkoxide complexes is described. With alcohols, such as isopropyl alcohol (IPA), 1-butanol, 1-hexanol, and 1-octanol, isomerization of double bonds to produce a conjugated system is the main reaction, with hydrogenation being the side reaction. The latter is formed via the conjugated product. Based on kinetic and infrared spectroscopic data, it is concluded that the active catalytic species is a ruthenium hydride complex formed by the decomposition of the unstable alkoxide. The reaction is mathematically modeled, and the rate parameters are obtained by fitting the simulation to experimental data. These values are compared with data obtained from reactions carried out with supported ruthenium-nickel heterogeneous catalyst.},
doi = {10.1021/ie00092a022},
url = {https://www.osti.gov/biblio/5207965}, journal = {IEEE Transactions on Energy Conversion; (USA)},
issn = {0885-8969},
number = ,
volume = 28:8,
place = {United States},
year = {Tue Aug 01 00:00:00 EDT 1989},
month = {Tue Aug 01 00:00:00 EDT 1989}
}