Matrix Exponential Solutions of First-Order Chemical Networks
- Creators
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Gray, Mike
Abstract
The matrix exponential method as implemented in MATLAB is demonstrated as a facile tool for solving the time-dependent concentrations of an arbitrary chemically reactive network modelled as a coupled linear system of first-order differential equations. The method is used to verify a 10 species network incorporating experimentally supplied forward rate constants; and a random 11 species network incorporating both forward and backward rate constants as modelled by semiclassical electron transfer theory. Also demonstrated is the matrix exponential solution in exact arithmetic (via Putzer's algorithm and verified by Laplace transforms) for a chain of three species coupled reversibly.
Additional Information
The content is available under CC BY 4.0 License. Feb 02, 2022 Version 1. I would like to thank Harry B. Gray for providing guidance and support throughout this research. We thank Jay R. Winkler for bringing to attention article [8]. The author(s) have declared they have no conflict of interest with regard to this content.Attached Files
Submitted - matrix-exponential-solutions-of-first-order-chemical-networks.pdf
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Additional details
- Eprint ID
- 114345
- Resolver ID
- CaltechAUTHORS:20220415-280954100
- Created
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2022-04-18Created from EPrint's datestamp field
- Updated
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2022-04-18Created from EPrint's last_modified field