The study of soil chemistry through quasi-steady-state models: I. Mathematical definition of model

Details The study of soil chemistry through quasi-steady-state models: I. Mathematical definition of model The study of soil chemistry through quasi-steady-state models: I. Mathematical definition of model

Mar 1989

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1989gecoa..53..595f&link_type=abstract

Geochimica et Cosmochimica Acta, vol. 53, Issue 3, pp.595-601

Statistics

Computation

3

Scientific paper

A mathematical method for studying the composition and speciation of soil solutions is presented. The method is formulated in general algebraic terms, and is adaptable to soil-water systems of virtually any chemical composition. Chemical processes in three different time frames are considered: fast, reversible processes, described in terms of chemical equilibrium; slow processes, described by kinetic equations for which the steady-state solution is found; and very slow processes, which are considered to be invariant in time for the solution of the system. The rates of the slow processes are written as functions of concentrations of species at chemical equilibrium. The numerical algorithm STEADYQL, which incorporates these principles, has been developed. This approach permits the calculation of sensitivity coefficients, that is, the partial derivative of the concentration of any species with respect to the value of any of the parameters that describe influx or efflux. The approach, which allows systematic and rapid computation of the speciation and sensitivity of any soil-water system, is illustrated with a simple example. A formal mathematical description of the method is given in an appendix.

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