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dc.contributor.author
Cabrera, Maria Ines
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dc.contributor.author
Grau, Ricardo José Antonio
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dc.date.available
2017-09-28T19:24:08Z
dc.date.issued
2008-09
dc.identifier.citation
Cabrera, Maria Ines; Grau, Ricardo José Antonio; Advanced Concepts for the Kinetic Modeling of Fatty Acid Methyl Esters Hydrogenation; De gruyter; International Journal of Chemical Reactor Engineering; 6; 1; 9-2008; 70-111
dc.identifier.issn
1542-6580
dc.identifier.uri
http://hdl.handle.net/11336/25347
dc.description.abstract
Kinetic studies of the catalytic hydrogenation of vegetable oils and fatty acid methyl esters in liquid-phase are commonly performed in the framework of the Langmuir-Hinshelwood-Hougen-Watson (LHHW) formalism using the competitive and non-competitive adsorption models, which are certainly extreme. Based on the advanced concepts of multicentered adsorption and semi-competitive adsorption, mechanistic kinetic models including a distinction between occupiedsites and covered-sites by the large molecules of FAMEs were formulated without expressing an opinion a priori on whether the adsorption regime is competitive or non- competitive. The theoretical basis of the advanced kinetic modeling is described and successfully applied to three application examples of increasing complexity, including: (a) the hydrogenation of methyl oleate without cis-trans isomerization distinction, (b) the cis-trans isomerization and hydrogenation of the methyl oleate, and (c) the methyl linoleate hydrogenation including the cis-trans isomerization of the methyl oleate. The kinetic studies were carried out using a Ni/-Al2O3, at 398, 413, 428 and 443 K, under isobaric conditions at hydrogen pressures of 370, 510, and 650 kPa, in the absence of mass-transport limitation. After model discrimination based on statistical analysis and taking into account the physical meaning of the estimated parameters, semi-competitive adsorption models were found to be more realistic than the classical LHHW competitive and non-competitive ones, mainly because they give additional information indicating that the adsorbed molecules of methyl linoleate and methyl oleate could cover up to 12 and 7 surface sites, respectively. These values are in adequate agreement with those expected from a rough computational simulation and seem to be the most interesting result, since they are factual and unattainable from the classical LHHW approaches.-Al2O3, at 398, 413, 428 and 443 K, under isobaric conditions at hydrogen pressures of 370, 510, and 650 kPa, in the absence of mass-transport limitation. After model discrimination based on statistical analysis and taking into account the physical meaning of the estimated parameters, semi-competitive adsorption models were found to be more realistic than the classical LHHW competitive and non-competitive ones, mainly because they give additional information indicating that the adsorbed molecules of methyl linoleate and methyl oleate could cover up to 12 and 7 surface sites, respectively. These values are in adequate agreement with those expected from a rough computational simulation and seem to be the most interesting result, since they are factual and unattainable from the classical LHHW approaches.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
De gruyter
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Hydrogenation
dc.subject
Fatty Acid Methyl Esters
dc.subject
Kinetic Modeling
dc.subject
Semicompetitive Adsorption
dc.subject.classification
Otras Ingeniería Química
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dc.subject.classification
Ingeniería Química
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dc.subject.classification
INGENIERÍAS Y TECNOLOGÍAS
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dc.title
Advanced Concepts for the Kinetic Modeling of Fatty Acid Methyl Esters Hydrogenation
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2017-09-25T18:20:07Z
dc.journal.volume
6
dc.journal.number
1
dc.journal.pagination
70-111
dc.journal.pais
Estados Unidos
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dc.description.fil
Fil: Cabrera, Maria Ines. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
dc.description.fil
Fil: Grau, Ricardo José Antonio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
dc.journal.title
International Journal of Chemical Reactor Engineering
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.2202/1542-6580.1718
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.degruyter.com/view/j/ijcre.2008.6.1/ijcre.2008.6.1.1718/ijcre.2008.6.1.1718.xml
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