Chemical kinetic functional sensitivity analysis: Elementary sensitivities

Metin Demiralp, Herschel Rabitz

Research output: Contribution to journalArticlepeer-review

34 Scopus citations


Sensitivity analysis is considered for kinetics problems defined in the space-time domain. This extends an earlier temporal Green's function method to handle calculations of elementary functional sensitivities S+δu i/δαj where ui is the ith species concentration and αj is the jth system parameter. The system parameters include rate constants, diffusion coefficients, initial conditions, boundary conditions, or any other well-defined variables in the kinetic equations. These parameters are generally considered to be functions of position and/or time. Derivation of the governing equations for the sensitivities and the Green's funciton are presented. The physical interpretation of the Green's function and sensitivities is given along with a discussion of the relation of this work to earlier research.

Original languageEnglish (US)
Pages (from-to)3362-3375
Number of pages14
JournalThe Journal of chemical physics
Issue number6
StatePublished - 1981

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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