Isomerization of methyl linoleate on ruthenium(III) alkoxide complex; Mathematical modeling
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.
- OSTI ID:
- 5207965
- Journal Information:
- IEEE Transactions on Energy Conversion; (USA), Vol. 28:8; ISSN 0885-8969
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
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