6533b824fe1ef96bd12816ee
RESEARCH PRODUCT
Atomistic theory of mesoscopic pattern formation induced by bimolecular surface reactions between oppositely charged molecules
Eugene A. KotominV. N. KuzovkovG. Zvejniekssubject
Mesoscopic physicsLennard-Jones potentialComputational chemistryChemistryChemical physicsMonte Carlo methodKineticsGeneral Physics and AstronomyMoleculePattern formationReverse Monte CarloPhysical and Theoretical ChemistryChain reactiondescription
The kinetics of mesoscopic pattern formation is studied for a reversible A+B⇌0 reaction between mobile oppositely charged molecules at the interface. Using formalism of the joint correlation functions, non-equilibrium charge screening and reverse Monte Carlo methods, it is shown that labyrinth-like percolation structure induced by (even moderate-rate) reaction is principally non-steady-state one and is associated with permanently growing segregation of dissimilar reactants and aggregation of similar reactants into mesoscopic size domains. A role of short-range and long-range reactant interactions in pattern formation is discussed.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2011-12-16 | The Journal of Chemical Physics |