DO SOLUTE-SOLUTE INTERACTIONS AFFECT ACTIVATION LIMITED REACTIONS - ABROWNIAN DYNAMICS STUDY

In this study we use Brownian dynamics (BD) to investigate a model act ivated reaction. We simulate varying activation energy using the proba bility of reaction on collision. We find that, as the reaction probabi lity decreases (activation energy increases), local structural effects are seen more strongly at ever higher density. In the limit of very l ow values of the reaction probability, local structural effects on rea ctivity are seen over the entire density range studied. This provides clear evidence that the degree to which activation energy affects a ch emical reaction correlates directly with the extent to which solute-so lute correlations may influence that reaction.