LAPSE:2020.1204
Published Article
LAPSE:2020.1204
Hydrogenation of Trans,Trans-Muconic Acid to Bio-Adipic Acid: Mechanism Identification and Kinetic Modelling
December 17, 2020
The hydrogenation of trans,trans-muconic acid was investigated on a Pt/C 5% (wt) catalyst in a batch slurry reactor at constant hydrogen pressure (4 bar) and temperature (323, 333 and 343 K), with the purpose of developing a kinetic model able to predict conversions and product distributions. A dual-site Langmuir−Hinshelwood−Hougen−Watson (LHHW) model with hydrogen dissociation provided good fitting of the experimental data. The model parameters were regressed by robust numerical methods to overcome the computational challenges of the model parameters’ collinearity. Different reaction mechanisms were tested; the best model involved two subsequent hydrogenation steps. The first step yielded from trans,trans-muconic acid a monounsaturated intermediate (trans-2-hexenedioic acid), which was further hydrogenated to adipic acid in the second step. The intermediate was subjected to an equilibrium isomerization with cis-2-hexenedioic acid. The activation energy values and the rate constants were calculated for the reactions, providing the first reference for trans,trans-muconic acid hydrogenation.
Record ID
Keywords
adipic acid, hydrogenation, kinetics, LHHW model, muconic acid, slurry reactor
Subject
Suggested Citation
Rosengart A, Pirola C, Capelli S. Hydrogenation of Trans,Trans-Muconic Acid to Bio-Adipic Acid: Mechanism Identification and Kinetic Modelling. (2020). LAPSE:2020.1204
Author Affiliations
Journal Name
Processes
Volume
8
Issue
8
Article Number
E929
Year
2020
Publication Date
2020-08-02
Published Version
ISSN
2227-9717
Version Comments
Original Submission
Other Meta
PII: pr8080929, Publication Type: Journal Article
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Published Article
LAPSE:2020.1204
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doi:10.3390/pr8080929
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Version History
[v1] (Original Submission)
Dec 17, 2020
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Dec 17, 2020
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https://psecommunity.org/LAPSE:2020.1204
Original Submitter
Calvin Tsay
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