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Issue title: II Congress of Theoretical and Computational Physical Chemistry, Choroni, Venezuela, 2008
Guest editors: H. Soscunxy, F. Ruettez and A. Sierraltaz
Article type: Research Article
Authors: Gonzalez, Y.; * | Verruschi, E. | Peraza, A. | Freitez, J.
Affiliations: Universidad Nacional Experimental Politécnica Antonio José de Sucre, Vicerrectorado de Barquisimeto, CENIPRO “Centro de Investigación de Procesos”, Av. Corpahuaico entre Av. La Salle y Rotaria. Barquisimeto, Edo Lara, Venezuela | [x] Centro Nacional de Tecnologia Quimica CNTQ, Complejo Tecnologico Simon Rodriguez CTSR, La Carlota, Caracas, Venezuela | [y] Departamento de Quimica, Facultad Experimental de Ciencias, La Universidad del Zulia LUZ, Maracaibo, Venezuela | [z] Centro de Quimica, Instituto Venezolano de Investigaciones Cientificas IVIC, Caracas, Venezuela
Correspondence: [*] Corresponding author. cenipro@unexpo.edu.ve.
Abstract: One of the major issues in the kinetic modeling of refining processes, such as hydro treatment (HDT) of gas oil, consists in that oil by-products contain a large number of individual components which are difficult to handle. In this sense, the concept of continuity in order to describe the elements of such mixtures through a continuous distribution function sheds some light to manage the problem. From this approach, a kinetic model is proposed in this paper for the hydrogenation (HYD) of gas oil, whose composition is described by a gamma distribution function regarding the carbon number. Besides, as the first approach, a pseudo-homogeneous model of the reagent system made of the reactions of hydrodesulphurization (HDS) and HYD with a kinetic of pseudo-first order regarding the hydrocarbon was considered. This model allows evaluating the composition of the product for kinetic constants reported in the literature by obtaining outputs with acceptable errors for all the families except for those related to the reaction of HYD of mono aromatics, whose kinetic constant needs to be better adjusted to the experimental data. Additionally, the model allows predicting in details la composition of the families present in the result of the reaction in terms of distribution functions regarding the number of the carbon atoms. This yields to a molecular detail level good enough to estimate properties of interest, such as density and distillation, for the characterization of the hydro treated gas oil.
Keywords: Diesel, hydro treatment, kinetic, modeling
DOI: 10.3233/JCM-2009-0294
Journal: Journal of Computational Methods in Sciences and Engineering, vol. 9, no. 4-6, pp. 197-206, 2009
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