ANN-MATOPT hybrid algorithm: determination of kinetic and non-kinetic parameters in different reaction mechanisms

DOI10.1007/s10910-021-01275-xzbMath1471.92477OpenAlexW3190561656MaRDI QIDQ2230711

J. L. González-Hernández, Jaime González Cuadra, M. M. Canedo Alonso

Publication date: 28 September 2021

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-021-01275-x

zbMATH Keywords

artificial neural networkshybrid algorithmcomputational chemical kineticsambiguity or equivalence of parameters

Mathematics Subject Classification ID

Artificial neural networks and deep learning (68T07) Classical flows, reactions, etc. in chemistry (92E20)

Uses Software

• Matlab
• Simulink

Cites Work

• KINMODEL (AGDC): a multipurpose computational method for kinetic treatment
• A robust hybrid algorithm (neural networks-AGDC) applied to non-isothermal kinetics of consecutive chemical reactions
• Combining artificial neural networks and experimental design to prediction of kinetic rate constants
• Application the computational method KINMODEL(AGDC) to the simultaneous determination of kinetic and analytical parameters
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