MINEQL, Chemical Equilibrium Composition of Aqueous Systems

1 - Description of program or function: MINEQL is a subroutine package to calculate equilibrium composition of an aqueous system, accounting for mass transfer. MINEQL-EIR contains an additional base on enthalpy and heat capacity data and has the option to do calculations at temperatures different from 25 degrees C. 2 - Method of solution: In MINEQL, the Gibbs free-energy function is minimized and mass balance chemical reaction equations are solved simultaneously. In MINEQL-EIR, the iteration scheme to solve the system of equations has been improved to make the probability of divergence very small. 3 - Restrictions on the complexity of the problem: MINEQL does not take into account mass transfer of water molecules