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 ...

Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences, Vol. 178, No. 974 (Jul. 31, 1941), pp. 370-379 (10 pages) The equilibrium constant, K, of an association can ...

Computational tools allow material scientists to model and analyze increasingly complicated systems to appreciate material behavior. Accurate use and interpretation however, requires a strong ...

Equilibrium thermodynamics, chemical kinetics, transport properties, gas laws, and phase equilibria with an emphasis on solution behavior and applications to molecules important in the environmental ...

There are fewer moles on the right hand side of the equation for the Haber process: \(\begin{array}{rcl} N_{2}(g) + 3H_{2}(g) & \rightleftharpoons & 2NH_{3}(g) \\ 1 ...