Exploiting limited valence patchy particles to understand autocatalytic kinetics.

ABSTRACT: Autocatalysis, i.e., the speeding up of a reaction through the very same molecule which is produced, is common in chemistry, biophysics, and material science. Rate-equation-based approaches are often used to model the time dependence of products, but the key physical mechanisms behind the reaction cannot be properly recognized. Here, we develop a patchy particle model inspired by a bicomponent reactive mixture and endowed with adjustable autocatalytic ability. Such a coarse-grained model captures all general features of an autocatalytic aggregation process that takes place under controlled and realistic conditions, including crowded environments. Simulation reveals that a full understanding of the kinetics involves an unexpected effect that eludes the chemistry of the reaction, and which i

SUBMITTER: Corezzi S 

PROVIDER: S-EPMC6035234 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature