Catalysis by self-assembled structures in emergent reaction networks

Abstract
We study a new variant of the dissipative particle dynamics (DPD) model that includes the possibility of dynamically forming and breaking strong bonds. The emergent reaction kinetics may then interact with self-assembly processes. We observe that self-assembled amphiphilic aggregations such as micelles have a catalytic effect on chemical reaction networks, changing both equilibrium concentrations and reaction frequencies. These simulation results are in accordance with experimental results on the so-called “concentration effect”.
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