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Solute transport with multiple equilibrium-controlled or kinetically controlled chemical reactions

July 1, 1992

A new approach is applied to the problem of modeling solute transport accompanied by many chemical reactions. The approach, based on concepts of the concentration space and its stoichiometric subspaces, uses elements of the subspaces as primary dependent variables. It is shown that the resulting model equations are compact in form, isolate the chemical reaction expressions from flow expressions, and can be used for either equilibrium or kinetically controlled reactions. The implications of the results on numerical algorithms for solving the equations are discussed. The application of the theory is illustrated throughout with examples involving a simple but broadly representative set of reactions previously considered in the literature. Numerical results are presented for four interconnected reactions: a homogeneous complexation reaction, two sorption reactions, and a dissolution/precipitation reaction. Three cases are considered: (1) four kinetically controlled reactions, (2) four equilibrium-controlled reactions, and (3) a system with two kinetically controlled reactions and two equilibrium-controlled reactions.

Publication Year 1992
Title Solute transport with multiple equilibrium-controlled or kinetically controlled chemical reactions
DOI 10.1029/92WR00699
Authors John C. Friedly, Jacob Rubin
Publication Type Article
Publication Subtype Journal Article
Series Title Water Resources Research
Index ID 70185468
Record Source USGS Publications Warehouse
USGS Organization Toxic Substances Hydrology Program