Kinetic modeling of the hydrotreatment of light cycle oil/diesel

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Title: Kinetic modeling of the hydrotreatment of light cycle oil/diesel
Author: Castaneda-Lopez, Luis Carlos
Abstract: A rigorous kinetic model of hydrodesulfurization (HDS ) of complex mixtures such as light cycle oil (LCO ) or diesel has been developed . An experimental setup was constructed to investigate the hydrotreatment of complex mixtures . The hydrodesulfurization of LCO on a commercial CoMo /Al2O3 (IMP ) catalyst was investigated in a Robinson Mahoney perfectly mixed flow stationary basket reactor . An experimental investigation of the HDS of the dibenzothiophene (DBT ) and substituted dibenzothiophenes in the LCO was carried out at temperatures between 290 and 330 ?C , space time for dibenzothiophene (W /F0 DBT ) between 1000 and 6500 kgcat -h /kmol , and H2 /HC molar ratio constant of 2 .8 . To avoid having to deal with a huge number of parameters in the model , a methodology based on structural contributions was applied . DENs and DENt are the denominators of the Hougen -Watson rate expressions for hydrodesulfurization of dibenzothiophene (DBT ) and methyl -substituted dibenzothiophenes contained in the LCO . Both denominators comprise the concentration of all adsorbing species of the LCO multiplied by their adsorption equilibrium constants . The estimation of the denominators DENs and DENt was performed using the Levenberg -Marquardt algorithm and the results in terms of conversion for DBT , biphenyl and cyclohexylbenzene obtained in the hydrodesulfurization of the LCO . The evolution of DENs and DENt values with the composition was calculated for each LCO experiment . Structural contributions were taken from Vanrysselberghe and Froment for hydrogenolysis and hydrogenation of methyl -substituted dibenzothiophenes with a significant reduction in the number of parameters to be estimated in the HDS of the LCO . The multiplication factors , fsDBT , which are products of structural contributions for hydrogenolysis and hydrogenation of the mono - and dimethyl -dibenzothiophenes were also taken from Vanrysselberghe and Froment . These multiplication factors are based on experimental results with model components such as DBT , 4 -Methyl dibenzothiophene and 4 ,6 -Dimethyl dibenzothiophene . The results obtained in the modeling are in good agreement with the experimental data because the model reproduces very well the observed total conversions of DBT , conversions of DBT into biphenyl and conversions of DBT into cyclohexylbenzene as a function of temperature .
URI: http : / /hdl .handle .net /1969 .1 /ETD -TAMU -1061
Date: 2009-05-15

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Kinetic modeling of the hydrotreatment of light cycle oil/diesel. Available electronically from http : / /hdl .handle .net /1969 .1 /ETD -TAMU -1061 .

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