Required inputs include the equilibrium reaction name and equation constant coefficients for the temperature dependent polynomial. The equilibrium reaction name must be unique and distinct from kinetic reaction names (e.g., EqRc-1, E1, Equil-Reac-1, er-1). To set the equilibrium constant coefficient to an isothermal value, set the polynomial coefficient b to the desired value and the coefficients a, c, d, and e to zero.
General concepts for specifying equilibrium reactions are provided on the Card Description page.
Formatting instructions for specifying equilibrium reaction constants are provided on the Card Syntax page.
Examples of Equilibrium Reactions Cards are provided on the Card Examples page.
It is strongly recommended that the pre-processor, toECKE, distributed with STOMP, be used to create the reactive transport cards used by the ECKEChem Module. This ensures that proper syntax is adhered to and that consistency among cards is maintained.