| Literature DB >> 27225430 |
Harvey Thomas Banks1, Marie Doumic2, Carola Kruse3.
Abstract
In the formation of large clusters out of small particles, the initializing step is called the nucleation, and consists in the spontaneous reaction of agents which aggregate into small and stable polymers called nuclei. After this early step, the polymers are involved in a number of reactions such as polymerization, fragmentation and coalescence. Since there may be several orders of magnitude between the size of a particle and the size of an aggregate, building efficient numerical schemes to capture accurately the kinetics of the reaction is a delicate step of key importance. In this article, we propose a conservative scheme, based on finite volume methods on an adaptive grid, which is capable of simulating well the early steps of the reaction as well as the later chain reactions.Entities:
Keywords: Adaptive grid; Aggregation-fragmentation models; Finite volume schemes; Polymerization
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Year: 2016 PMID: 27225430 DOI: 10.1007/s00285-016-1026-0
Source DB: PubMed Journal: J Math Biol ISSN: 0303-6812 Impact factor: 2.259