TY - JOUR
T1 - Bayesian Statistics to Elucidate the Kinetics of γ-Valerolactone from n-Butyl Levulinate Hydrogenation over Ru/C
AU - Capecci, Sarah
AU - Wang, Yanjun
AU - Delgado, Jose
AU - Casson Moreno, Valeria
AU - Mignot, Mélanie
AU - Grénman, Henrik
AU - Murzin, Dmitry Yu
AU - Leveneur, Sébastien
N1 - Funding Information:
This study has been done in the framework of Task 2: “Green process: 2nd generation of biomass” of the AMED project. The authors thank the AMED project. The AMED project has been funded with the support from the European Union with the European Regional Development Fund (ERDF) and from the Regional Council of Normandie. For the analytical part (GC-FID), the authors thank the European Regional Development Fund (GreenChem) and the Laboratoire d’Excellence (LabEx) SynOrg (ANR-11-LABX-0029). The authors thank the Maîtrise des Risques et Environementaux department and the Erasmus program that made the research project of S.C. possible.
Publisher Copyright:
© 2021 American Chemical Society.
PY - 2021/8/11
Y1 - 2021/8/11
N2 - The synthesis of γ-valerolactone (GVL), a platform molecule that can be produced from lignocellulosic biomass, was performed in this work by hydrogenation of an alkyl levulinate over Ru/C. Kinetic models reported in the literature are typically not compared with rival alternatives, even if a discrimination study is needed to find the optimum operating conditions. Different surface reaction kinetic models were thus considered in this work, specifically addressing hydrogenation of butyl levulinate to GVL, where the latter was used as a solvent to minimize potential solvent interference with the reaction, including its evaporation. The Bayesian approach was applied to evaluate the probability of each model. It was found that non-competitive Langmuir-Hinshelwood with no dissociation of the hydrogen model has the highest posterior probability.
AB - The synthesis of γ-valerolactone (GVL), a platform molecule that can be produced from lignocellulosic biomass, was performed in this work by hydrogenation of an alkyl levulinate over Ru/C. Kinetic models reported in the literature are typically not compared with rival alternatives, even if a discrimination study is needed to find the optimum operating conditions. Different surface reaction kinetic models were thus considered in this work, specifically addressing hydrogenation of butyl levulinate to GVL, where the latter was used as a solvent to minimize potential solvent interference with the reaction, including its evaporation. The Bayesian approach was applied to evaluate the probability of each model. It was found that non-competitive Langmuir-Hinshelwood with no dissociation of the hydrogen model has the highest posterior probability.
UR - http://www.scopus.com/inward/record.url?scp=85112699153&partnerID=8YFLogxK
U2 - 10.1021/acs.iecr.1c02107
DO - 10.1021/acs.iecr.1c02107
M3 - Article
AN - SCOPUS:85112699153
SN - 0888-5885
VL - 60
SP - 11725
EP - 11736
JO - Industrial and Engineering Chemistry Research
JF - Industrial and Engineering Chemistry Research
IS - 31
ER -