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Mathematical modeling in chemistry. Application to water quality problems. (English) Zbl 1236.92079
Summary: This paper deals with mathematical modeling of chemical reaction systems. For the sake of simplicity the stirred tank assumption is made which allows us to remain in the framework of ordinary differential systems. The principles of chemical kinetics are recalled and the equations for the evolution of concentration of the chemical species involved in the reactions are given. The equilibrium of reversible reactions is also characterized. Then the case where low and fast reactions coexist is specifically considered by using asymptotic techniques to obtain limit models. Numerical methods are proposed and the whole methodology is applied to water quality models.
92E20 Classical flows, reactions, etc. in chemistry
92D40 Ecology
34C60 Qualitative investigation and simulation of ordinary differential equation models
37N25 Dynamical systems in biology
65C20 Probabilistic models, generic numerical methods in probability and statistics
Full Text: DOI
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