Assessment of kinetic models for the production of γ-valerolactone developed in isothermal, adiabatic and isoperibolic conditions

Wenel Naudy Vásquez Salcedo , Mélanie Mignot (1, 2) , Bruno Renou (3) , Sébastien Leveneur (4, 5, 6)

1 COBRA - Chimie Organique et Bioorganique : Réactivité et Analyse
2 iC2MC - International Joint Laboratory - Complex Matrices Molecular Characterization
3 CORIA - Complexe de recherche interprofessionnel en aérothermochimie
4 UNIROUEN - Université de Rouen Normandie
5 LSPC - Laboratoire de Sécurité des Procédés Chimiques
6 LSPC - Laboratoire de Sécurité des Procédés Chimiques

The use of lignocellulosic biomass as raw materials for the production of biofuels is increasing. There are several potential processes valorizing these raw materials, but the shift from lab-scale to industrial scale requires the development of reliable and robust kinetic models. Usually, these models are developed in isothermal mode, limiting their use for thermal risk assessment or pinch analysis. We developed and assessed several kinetic models for the hydrogenation of butyl levulinate to γvalerolactone over Ru/C in different thermal modes, i.e., isothermal, isoperibolic and adiabatic modes. The reaction calorimeter Mettler-Toledo RC1 was used to perform kinetic experiments. Bayesian inference was used during the regression stage to calculate the credible intervals. The validation stage was done by a holdout method. From the regression and validation stage, we found that the noncompetitive Langmuir Hinshelwood with hydrogen non-dissociation and dissociation were the most reliable models. These models can predict the kinetics of this reaction system in different thermal modes.

Mots clés: kinetic modeling gamma valerolactone levulinate calorimetry adiabatic; kinetic modeling; gamma valerolactone; levulinate; calorimetry; adiabatic

Domaines: Génie chimique

Wenel Naudy Vásquez Salcedo, Mélanie Mignot, Bruno Renou, Sébastien Leveneur. Assessment of kinetic models for the production of γ-valerolactone developed in isothermal, adiabatic and isoperibolic conditions. Fuel, 2023, 350, pp.128792. ⟨10.1016/j.fuel.2023.128792⟩. ⟨hal-04115376⟩