Modeling dynamics of chemical reaction networks using electrical analogs: Application to autocatalytic reactions

نویسندگان

چکیده

Modeling complex chemical reaction networks has inspired a considerable body of research and variety approaches to modeling nonlinear pathways are being developed. Here, general methodology is formulated convert an arbitrary network into its equivalent electrical analog. The topological equivalence the analog mathematically established for unimolecular reactions using Kirchhoff's laws. modular approach generalized bimolecular autocatalytic reactions. It then applied simulate dynamics without making simplifying assumptions, such as use quasi-steady state/Bodenstein approximation or absence steps in intermediates. This among few papers that quantify by generating simulating As realistic biological application, early phase spread COVID-19 modeled process predicted good agreement with experimental data. rate-limiting step viral transmission identified, leading novel mechanistic insights.

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ژورنال

عنوان ژورنال: Chemical engineering journal advances

سال: 2022

ISSN: ['2666-8211']

DOI: https://doi.org/10.1016/j.ceja.2022.100374