Abstract

PEREZ, Douglas E; CURBELO, Susana; OLIVERA FUENTES, Claudio  and  RODRIGUEZ, Mirleth J. Mathematical modelling of an adiabatic reactor for selective hydrogenation of 1,3-butadiene. Rev. Fac. Ing. UCV [online]. 2014, vol.29, n.1, pp.87-100. ISSN 0798-4065.

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 model by Larkins et al. recommended in the literature. A temperature 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/feed ratio) are studied. The BD conversion is found to increase at lower inlet temperatures and higher inlet pressures, although with greater 1BE losses due to hydrogenation and isomerization. The use of solvent also increases the BD conversion and helps reduce 1BE losses.

Keywords : Selective hydrogenation; Trickle bed reactor; 1,3-butadiene; Pressure drop.

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