Details

Autor(en) / Beteiligte

• Pirmoradi, Maryam
• Kastner, James R.

Titel

A kinetic model of multi-step furfural hydrogenation over a Pd-TiO2 supported activated carbon catalyst

Ist Teil von

• Chemical engineering journal (Lausanne, Switzerland : 1996), 2021-06, Vol.414, p.128693, Article 128693

Ort / Verlag

Elsevier B.V

Erscheinungsjahr

2021

Quelle

Access via ScienceDirect (Elsevier)

Beschreibungen/Notizen

• •A Pd-TiO2 on activated carbon is synthesized with metal–acid sites and used in a kinetic study.•Kinetics of continuous, aqueous phase furfural hydrogenation is quantified.•A Langmuir-Hinshelwood model with two active sites (metal–acid) is developed.•The dual, metal–acid site model predicts the multi-step hydrogenation of furfural to 5-hydroxy-2-pentanone. The multi-step, aqueous phase hydrogenation kinetics of furfural (FUR) to furfuryl alcohol (FA), 2-methylfuran (2MF), tetrahydrofurfuryl alcohol (THFA) and 5-hydroxy-2-pentanone (5H2P) over Pd-TiO2 on an activated carbon catalyst (derived from a monolith structure) was studied (180 °C, 2.1 MPa). Titanium addition created a metal–acid functional catalyst and promoted 5H2P synthesis from furfural. A Langmuir-Hinshelwood model with two active sites (a metal site for hydrogenation steps and an acid site for ring opening step) was applied to fit the kinetic data and parameters of the reaction system were obtained using non-linear regression of experimental data. The kinetic model showed an acceptable agreement with the experimental data with R2 of 0.93–0.96 and concentration residuals (experimental-model) typically ≤ 5%. Adsorption constants of 2MF and THFA were significantly lower than the adsorption constants of the other three compounds. A reaction rate constant of 1.6–1.8 mol/gcat.h for furfural consumption was predicted by the model. Reaction rates of 0.2–0.35 mol/gcat.h, 0.1–0.13 mol/gcat.h and 0.8–1.0 mol/gcat.h were predicted for formation of 2-methylfuran, tetrahydrofurfuryl alcohol and 5-hydroxy-2-pentanone, respectively. External and internal mass transfer criterion indicate intrinsic rate parameters were estimated and indicate the model can be used to perform monolithic reactor design for aqueous phase hydrogenation of furfural.