Data-driven discovery of multiscale chemical reactions governed by the law of mass action

@article{Huang2022DatadrivenDO,
  title={Data-driven discovery of multiscale chemical reactions governed by the law of mass action},
  author={Juntao Huang and Y. Zhou and W. A. Yong},
  journal={ArXiv},
  year={2022},
  volume={abs/2101.06589}
}
In this paper, we propose a data-driven method to discover multiscale chemical reactions governed by the law of mass action. First, we use a single matrix to represent the stoichiometric coefficients for both the reactants and products in a system without catalysis reactions. The negative entries in the matrix denote the stoichiometric coefficients for the reactants and the positive ones for the products. Second, we find that the conventional optimization methods usually get stuck in the local… Expand

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