Parameter estimation in kinetic models of complex heterogeneous catalytic reactions using Bayesian statistics

被引：20

作者：

Murzin, Dmitry Yu. ^{[1
]}

Warna, Johan ^{[1
]}

Haario, Heikki ^{[2
]}

Salmi, Tapio ^{[1
]}

机构：

[1] Abo Akad Univ, Johan Gadolin Proc Chem Ctr, Lab Ind Chem & React Engn, Fac Sci & Engn, Turku, Finland

[2] Lappeenranta Univ Technol, Lappeenranta, Finland

来源：

REACTION KINETICS MECHANISMS AND CATALYSIS | 2021年 / 133卷 / 01期

基金：

芬兰科学院;

关键词：

Hydrogenation; Kinetics; Bayesian statistics; Parameter estimation; GAS-PHASE HYDROGENATION; TOLUENE HYDROGENATION; P-XYLENE; NI/AL2O3; MECHANISM;

D O I：

10.1007/s11144-021-01974-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：1 / 15

页数：15

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