Modeling chemical mass transfer in geochemical processes: thermodynamic relations, conditions of equilibria, and numerical algorithms

摘要

The problem of chemical mass transfer-calculation of complete and/or restricted chemical equilibrium states in multiphase and multiaggregate systems-is reduced to the convex programming problem. A related set-theory notation is introduced for complex physico-chemical models. It is used to represent the explicit analytical expressions for chemical potentials of species or dependent compo- nents both in symmetric and asymmetric reference scales.