Applied Mathematics and Plasma Physics

P. C. Lichtner and D. M. Tartakovsky, "Upscaled effective rate constant for heterogeneous reactions", *Stochastic Environ. Res. and Risk Assessment (SERRA)*, vol. 17, no. 6, pp. 419-429, 2003

A probability density function (pdf) formulation is applied to a heterogeneous chemical reaction involving an aqueous solution reacting with a solid phase in a batch. This system is described by a stochastic differential equation with multiplicative noise. Both linear and nonlinear kinetic rate laws are considered. An effective rate constant for the mean field approximation describing the change in mean concentration with time is derived. The effective rate constant decreases with increasing time eventually approaching zero as the system approaches equilibrium. This behavior suggests that a possible explanation for the observed discrepancy between laboratory measured rate constants on uniform grain sizes and field measurements may in part be caused by the heterogeneous distribution of grain sizes in natural systems.

@article{lichtner-2003-upscaled,

author = {P. C. Lichtner and D. M. Tartakovsky},

title = {Upscaled effective rate constant for heterogeneous reactions},

year = {2003},

urlpdf = {http://math.lanl.gov/~dmt/papers/effectiveRate.pdf},

journal = {Stochastic Environ. Res. and Risk Assessment (SERRA)},

volume = {17},

number = {6},

pages = {419-429}

}