Arbitrarily complex chemical reactions on particles

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 p...

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Bibliographic Details
Published in:Water resources research 2016-11, Vol.52 (11), p.9190-9200
Main Authors: Benson, David A., Bolster, Diogo
Format: Article
Language:English
Subjects:
Algorithms
Atoms & subatomic particles
Birth
Chemical reactions
Chemical speciation
Components
Death
Exact solutions
Exchanging
Mass
mass‐transfer
Mathematical analysis
Methods
mixing
particle‐tracking
Parturition
Solutions
stochastic
Tracking
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Summary: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. Key Points: Probabilistic inter‐particle mass transfer is derived Upon mass transfer, reactions take place on particles No limit to the complexity of on‐particle reactions
ISSN:0043-1397
1944-7973
DOI:10.1002/2016WR019368