Catalysis by Self-Assembled Structures in Emergent Reaction Networks

We introduce 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 selfassembly 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.”

• Type: Conference
• Year: 2007
• Where: ECAL
• Authors: Gianluca Gazzola, Andrew Buchanan, Norman H. Packard, Mark A. Bedau
• Keywords: Artificial Intelligence, Chemical Reaction Networks, Dissipative Particle Dynamics, ECAL 2007, Emergent Reaction Kinetics