Arbitrarily complex chemical reactions on particles

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Abstract

Previous particle-tracking (PT) algorithms for chemical reaction conceptualize each particle being composed of one species. Reactions occur by either complete or partial birth/death processes between interacting particles. Here we extend the method by placing any number of chemical species on each particle. The particle/particle interaction is limited to mass exchange. After exchange, reactions of any sort are carried out independently on each particle. The novel components of the algorithms are verified against analytic solutions where possible.

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Benson, D. A., & Bolster, D. (2016). Arbitrarily complex chemical reactions on particles. Water Resources Research, 52(11), 9190–9200. https://doi.org/10.1002/2016WR019368

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