Sunflower Hydrogenation in Taylor Flow Conditions: Experiments and Computational Fluid Dynamics Modeling Using a Moving Mesh Approach

Autor: Pierre Albrand, Anne-Marie Billet, Carine Julcour
Přispěvatelé: Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
Rok vydání: 2021
Předmět:
Zdroj: Industrial & Engineering Chemistry Research. 60:16701-16719
ISSN: 1520-5045
0888-5885
DOI: 10.1021/acs.iecr.1c02801
Popis: Sunflower oil hydrogenation was carried out in a 2 mm diameter jacketed capillary reactor coated with a Pd/Al2O3 catalyst, mimicking a channel of a heat exchanger monolith reactor. The operating conditions were chosen to ensure Taylor flow conditions and to evaluate their impact on the reaction selectivity. CFD simulations of the experiments were performed using the unit cell approach. They accounted for the dependence of viscosity on the degree of oil saturation, kinetic laws describing the effects of pressure on cis/trans selectivity, and bubble shrinkage along the channel using a moving mesh strategy. The model captured the experimental trends, in which the fraction of monounsaturated cis fatty acids did not exceed 35% (vs 30% originally). Poor selectivity is mainly due to the strong mass transfer resistance at the catalyst wall, either from fatty acids (favoring their complete saturation) and/or from hydrogen (due to bubble shrinkage, favoring cis to trans isomerization)
Databáze: OpenAIRE