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UBC Theses and Dissertations

A reinvestigation of the theoretical basis for the calculation of isothermal-isobaric mass transfer in geochemical systems involving an aqueous phase Perkins, Ernest Henry


Many geochemical processes involve the reaction of an aqueous phase with minerals with which the aqueous phase is not in equilibrium. Prediction of the change in the composition and in the number of moles of phases and of aqueous species as the system proceeds toward overall equilibrium is made possible by differential equations formed from mass balance, mass action, ionic strength and activity of water equations. The equations developed by Helgeson, Brown, Nigrini and Jones (1970) have been examined and alternate forms of the differential equations which constrain reaction progress have been proposed. These new equations include correct terms for the change in the mass of water, the change in the activity of water and the change in the number of moles of each endmember of the solid solution phases. The equations have been formulated to allow a more efficient algorithm for numerical evaluation. General forms for all equations are presented. A FORTRAN program for the calculation of mass transfer in an isothermal and isobaric system and a description of the program are given.

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