Chemical equilibria in reactive systems underpin many natural and industrial processes, where the interplay between chemical reactions and phase separations yields complex behaviours. In these systems ...

Molecular simulations serve as a crucial tool in the quantitative understanding of chemical reaction equilibria by bridging atomistic interactions and macroscopic phenomena. Through advanced ...

A hot gas dissociates very quickly, on the order of microseconds. One might think we could neglect the speed of dissociation, then, and model the gas in an equilibrium state. However, many things ...