KINMODEL (AGDC): a multipurpose computational method for kinetic treatment

DOI10.1007/S10910-010-9733-ZMaRDI QIDQ626469zbMATHOpenAlexFDO

Authors J. L. González-Hernández, M. Mar Canedo

Publication date 18 February 2011

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

Full work available at URL https://doi.org/10.1007/s10910-010-9733-z

zbMATH Keywords

unconstrained optimizationvalidation of modelscomputational chemical kineticscomputational programkinetic modelling

Mathematics Subject Classification ID

Computational methods for problems pertaining to biology (92-08) Classical flows, reactions, etc. in chemistry (92E20) Applications of dynamical systems (37N99)

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Cited in

(7)

• Combining artificial neural networks and experimental design to prediction of kinetic rate constants
• Model formulation and interpretation -- from experiment to theory
• pICNIK: a python package with isoconversional computations for non-isothermal kinetics
• ANN-MATOPT hybrid algorithm: determination of kinetic and non-kinetic parameters in different reaction mechanisms
• Application the computational method KINMODEL(AGDC) to the simultaneous determination of kinetic and analytical parameters
• A robust hybrid algorithm (neural networks-AGDC) applied to non-isothermal kinetics of consecutive chemical reactions
• Multi-objective optimization of chemical reaction conditions based on a kinetic model

Describes a project that uses

Uses Software

• HSL
• chemCal

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