Papers by Mirleth Rodríguez
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Journal of Computational Methods in Sciences and Engineering, 2014
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A three-phase trickle-bed reactor for selective hydrogenation of 1,3-butadiene in liquid phase... more A three-phase trickle-bed reactor for selective hydrogenation of 1,3-butadiene in liquid phase with toluene as solvent is modeled using a published kinetic. The phase equilibria and thermodynamic and transport properties are estimated from methods available in the literature. The computer model incorporates momentum and energy balances to account for temperature and pressure changes along the reactor. Four pressure drop correlations are compared; their predictions deviate less than 45% from the drop model by Larkin et al. recommended in the literature. A temperatiure rise of 47.3 K and a pressure drop of 56 kPa are predicted for a reactor 0.6 m in length and 0.58 m in diameter. Greater reactor lengths lead to formation of hot spots and complete vaporization of the liquid load. The results are insensitive to the methods selected for estimation of phase equilibria and thermophysical properties. The predicted effects of the operation conditions (temperature, pressure and toluene/fee...
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Se evaluaron las predicciones del equilibrio liquido -vapor de mezclas hidrogeno-solvente usando ... more Se evaluaron las predicciones del equilibrio liquido -vapor de mezclas hidrogeno-solvente usando ecuaciones de estado cubicas con las reglas de mezcla de Van der Waals, y varias funciones de cohesion y parametros de interaccion binaria propuestos en la literatura. La ecuacion de estado de Peng-Robinson-Stryjek-Vera reprodujo mejor los datos experimentales reportados en la literatura, por lo cual se recomienda para predecir los equilibrios de fases de los sistemas involucrados en la hidrogenacion selectiva de 1,3-butadieno. Se sugiere asi mismo el uso de este modelo para estimar las entalpias de las fases y densidades de las mezclas gaseosas, y del metodo de Hankinson y Thomson (COSTALD) para predecir las densidades de las mezclas liquidas. Como aplicacion, se estudio la influencia de benceno, tolueno y hexano como solventes sobre el rendimiento del proceso de hidrogenacion, encontrandose que ambos compuestos aromaticos ayudan a reducir el consumo de hidrogeno, y aumentan la select...
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Fuel, 2014
ABSTRACT A computational study of the selective hydrogenation of 1,3-butadiene in liquid phase is... more ABSTRACT A computational study of the selective hydrogenation of 1,3-butadiene in liquid phase is performed, using toluene as solvent and a Pd/Al2O3 catalyst, in three different types of industrial reactors: continuous stirred slurry, slurry bubble column and fixed bed. Simulations are run for specific operating conditions that include 380 bbl/d hydrocarbon feed entering at 300 K and 1200 kPa, with 1:1 hydrogen/butadiene and 1:2 solvent/hydrocarbon molar feed ratios. Reactor performances are compared in terms of conversion of reactants and selectivity for products for two feed compositions used by previous researchers. The feed stream used by Galiasso et al. (6% butadiene, 36% 1-butene, 58% butane) is found to give better selectivities for 1-butene and higher yields of this compound, and is therefore used to analyze the effects of inlet temperature, pressure and solvent/feed ratio on the behavior of each type of reactor. The results show that an increase of less than 2% in feed temperature increases the selectivities in the fixed bed reactor, but decreases them in the slurry reactors; these changes amount to about 2-8% in all cases. The effects of inlet pressure and solvent/feed ratio on selectivities are found to be negligible.
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Fuel, 2014
ABSTRACT A computational study of the selective hydrogenation of 1,3-butadiene in liquid phase is... more ABSTRACT A computational study of the selective hydrogenation of 1,3-butadiene in liquid phase is performed, using toluene as solvent and a Pd/Al2O3 catalyst, in three different types of industrial reactors: continuous stirred slurry, slurry bubble column and fixed bed. Simulations are run for specific operating conditions that include 380 bbl/d hydrocarbon feed entering at 300 K and 1200 kPa, with 1:1 hydrogen/butadiene and 1:2 solvent/hydrocarbon molar feed ratios. Reactor performances are compared in terms of conversion of reactants and selectivity for products for two feed compositions used by previous researchers. The feed stream used by Galiasso et al. (6% butadiene, 36% 1-butene, 58% butane) is found to give better selectivities for 1-butene and higher yields of this compound, and is therefore used to analyze the effects of inlet temperature, pressure and solvent/feed ratio on the behavior of each type of reactor. The results show that an increase of less than 2% in feed temperature increases the selectivities in the fixed bed reactor, but decreases them in the slurry reactors; these changes amount to about 2-8% in all cases. The effects of inlet pressure and solvent/feed ratio on selectivities are found to be negligible.
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Papers by Mirleth Rodríguez