| dc.creator | Cabrera, Maria Ines | |
| dc.creator | Grau, Ricardo José Antonio | |
| dc.date | 2008-09 | |
| dc.identifier | http://hdl.handle.net/11336/25347 | |
| dc.identifier | 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 | 1542-6580 | |
| dc.identifier | CONICET Digital | |
| dc.identifier | CONICET | |
| dc.description | 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.description | 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: 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.format | application/pdf | |
| dc.format | application/pdf | |
| dc.format | application/pdf | |
| dc.language | eng | |
| dc.publisher | De gruyter | |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/10.2202/1542-6580.1718 | |
| dc.relation | 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 | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.rights | 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 | https://purl.org/becyt/ford/2.4 | |
| dc.subject | https://purl.org/becyt/ford/2 | |
| 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 | |
