Chemical kinetic functional sensitivity analysis: Elementary sensitivities

Metin Demiralp, Herschel Albert Rabitz

Research output: Contribution to journalArticlepeer-review

33 Scopus citations

Abstract

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
Volume74
Issue number6
DOIs
StatePublished - Jan 1 1981

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Chemical kinetic functional sensitivity analysis: Elementary sensitivities'. Together they form a unique fingerprint.

Cite this