A general lumping analysis of a reaction system coupled with diffusion

Genyuan Li, Herschel Rabitz

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A general lumping analysis of a reaction system coupled with diffusion is presented. This analysis can be applied to any reaction system with n species for both steady-state and transient conditions. Here we consider lumping by means of an n̂ × n constant matrix M with rank n̂ (n̂ ≤ n). When the diffusivity is independent of position and concentration, represented by the vectors r and y, respectively, it is found that under steady-state conditions, a reaction system having a species concentration vector y(r) coupled with diffusion is exactly lumpable if and only if there exist nontrivial fixed JT[y(r)]D-1-invariant subspaces M [here JT[y(r)] is the transpose of the Jacobian matrix for the chemical reaction rate vector f[y(r)] and D-1 is the inverse of the constant effective diffusivity matrix], no matter what value y(r) takes; under transient conditions, there exist simultaneously D- and JT[y(r, t)]-invariant subspaces M. When D is a function of position or concentrations, M is simultaneously invariant to JT(y) and D(r), D[y(r)] or D[y(r, t)]. The approach used to determine the constrained approximate lumping schemes for a nondiffusion system can also be used in a reaction-diffusion system, except that the constant basis matrices Ak's of JT(y) are replaced by Bk = AkD-1 under steady-state conditions, or the extra matrix D is added under transient conditions. For n onconstant D, the basis constant matrices Di's of D(r), D[y(r)] or D[y(r, t)] are added.

Original languageEnglish (US)
Pages (from-to)2041-2053
Number of pages13
JournalChemical Engineering Science
Issue number8
StatePublished - 1991

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • General Chemical Engineering
  • Industrial and Manufacturing Engineering


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