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I. The basic equations.

We consider a system of n+N+1 components that react and diffuse and assume that there are two groups of timescales in the system: fast and slow. We assume that diffusion and the external feed or removal of the species occur on the slow timescale, while there is a subgroup of reactions (we work out the details for the case of one) that occur on the rapid timescale. There are n+1 species ( tex2html_wrap_inline1920 and Q) involved in the fast reactions, while there are other Ntex2html_wrap_inline1926 , where N might equal zero) that are not. The spatio-temporal variation of the various concentrations is described by a set of n+N+1 reaction-diffusion equations of the form:

    eqnarray15

which are to be solved subject to boundary and initial conditions for tex2html_wrap_inline1932tex2html_wrap_inline1934 and tex2html_wrap_inline1936 . In (1)-(3), tex2html_wrap_inline1932tex2html_wrap_inline1934tex2html_wrap_inline1936tex2html_wrap_inline1944tex2html_wrap_inline1946 and tex2html_wrap_inline1948 are the concentrations and diffusion coefficients of the n+N+1 species, tex2html_wrap_inline1952tex2html_wrap_inline1954 ), Q and tex2html_wrap_inline1958tex2html_wrap_inline1960 ), respectively. tex2html_wrap_inline1962tex2html_wrap_inline1964tex2html_wrap_inline1966tex2html_wrap_inline1968 and tex2html_wrap_inline1970 are functions of the concentrations: tex2html_wrap_inline1962 and tex2html_wrap_inline1964 do not depend on tex2html_wrap_inline1976 , but tex2html_wrap_inline1966tex2html_wrap_inline1968 and tex2html_wrap_inline1970 may depend on any of the concentrations, including tex2html_wrap_inline1976 . These functions model the variation of the concentrations due to the chemical reactions and to the external feed or removal of each species. The f terms only include the fast reactions while both the slow reactions, the feed and the removal are included in the g terms. We make the difference between the two timescales explicit by introducing the small parameter, tex2html_wrap_inline1990 , which is of the order of the ratio between the timescales. Q is any species involved in the fast reaction whose concentration varies because of it (see later). In the case with more fast reactions, we separate as many species, tex2html_wrap_inline1994 , as fast reactions, whenever that is possible.

The aim of the calculation is to obtain a reduced set of differential equations which describe the evolution on the slow timescale dynamics. The differential equations that are ``eliminated'' are actually replaced by algebraic relations among the concentrations. In the case of one fast reaction the system is finally described by n+N differential equations and one algebraic relation of the form tex2html_wrap_inline2479 . In the general case of tex2html_wrap_inline2481 fast reactions ( tex2html_wrap_inline2483 ), up to tex2html_wrap_inline2481 differential equations can be replaced by algebraic relations (provided that the number of species involved in the fast reactions is larger than tex2html_wrap_inline2481 ).

We will do the calculation for the case of only one fast reaction, discussing two subcases. First, the case of one fast reversible reaction, which we write as:

  equation48

where tex2html_wrap_inline1996 and tex2html_wrap_inline1998 stands for the stoichiometric coefficients of the reactants and products respectively and we have made the existence of two timescales explicit by the introduction of the small number tex2html_wrap_inline1990 in the reaction rates. The second subcase corresponds to a situation in which there is one fast irreversible reaction of the form (4) but with k'=0.

As usual, we describe the chemical reaction by mass action kinetic equations. Thus the terms with tex2html_wrap_inline1962 and tex2html_wrap_inline1964 in Eqs. (1)-(2) can be written as:

   eqnarray59

The functions tex2html_wrap_inline1962 and tex2html_wrap_inline1964 are then related by:

  equation91

The condition on Q mentioned before is equivalent to saying that tex2html_wrap_inline2014 . In this way, as required, the concentration of Q varies due to the fast reaction.


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Next: The reduction of the Up: Rescaling of diffusion coefficients Previous: Rescaling of diffusion coefficients
Silvina Ponce Dawson

Fri Aug 27 03:50:25 ART 1999