Mechano-chemical pathways to H2O and CO2 splitting

The shock-induced collapse of CO2-filled nano-bubbles is investigated using molecular dynamics simulations based on a reactive force field. The energetic nano jet and high-pressure water hammer shock formed during and after collapse of the nanobubble trigger mcchano-chemical H2O-CO2 reactions, some of which lead to splitting of water and formation of O-2 molecules. The dominant pathways through which splitting of water molecules occur are identified. (C) 2011 American Institute of Physics. [doi :10.1063/1.3650695]