Abstract
An algorithm for simulating ion exchange batch mode experiments utilizing a known binary or ternary linear or nonlinear selectivity matrix and disequilibrium concentrations in exchange and solution phases was developed, and can be used to calculate initial equilibrium conditions for the initiation of numerical transport simulations, to generate binary isotherms (by repeated applications), and to separate ion‐exchange from other solute reactions in soils. The algorithm is an iterative process utilizing a binary search to determine the sorbed phase concentrations defined by the selectivity values and dissolved phase concentrations while maintaining the correct total mass of all ions. It was developed to aid in the separation of ion‐exchange from other retention processes when empirical determination of exchange isotherms are difficult or impossible.
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