Journal
REACTION KINETICS MECHANISMS AND CATALYSIS
Volume 133, Issue 1, Pages 1-15Publisher
SPRINGER
DOI: 10.1007/s11144-021-01974-1
Keywords
Hydrogenation; Kinetics; Bayesian statistics; Parameter estimation
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Funding
- Abo Akademi University
- Academy of Finland [319002]
- Academy of Finland (AKA) [319002, 319002] Funding Source: Academy of Finland (AKA)
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The kinetic analysis of hydrogenation of toluene to methylcyclohexane on Ni catalysts revealed that the Bayesian statistics approach can accurately identify the most statistically probable kinetic parameters for complex reaction mechanisms.
Kinetic analysis of the gas-phase and liquid phase hydrogenation of toluene to methylcyclohexane on Ni catalysts was performed. For complex reaction mechanisms comprising several kinetically significant steps, nonlinear regression, while giving an adequate description of experimental data, leads to kinetic parameters which are poorly defined. The approach based on Bayesian statistics allows identification of the values of such parameters which are the most statistically probable.
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