The Y-procedure: How to extract the chemical transformation rate from reaction-diffusion data with no assumption on the kinetic model

G.S. Yablonsky, D. Constales, Sergiy Shekhtman, J.T. Gleaves

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

The paper presents a new method to extract the chemical transformation rate from reaction–diffusion data with no assumption on the kinetic model (“kinetic model-free procedure”). It is a new non-steady-state kinetic characterization procedure for heterogeneous catalysts. The mathematical foundation of the Y-procedure is a Laplace-domain analysis of the two inert zones in a TZTR followed by transposition to the Fourier domain. When combined with time discretization and filtering the Y-procedure leads to an efficient practical method for reconstructing the concentration and reaction rate in the active zone. Using the Y-procedure the concentration and reaction rate of a non-steady state catalytic process can be determined without any pre-assumption regarding the type of kinetic dependence. The Y-procedure is the basis for advanced software for non-steady state kinetic data interpretation. The Y-procedure can be used to relate changes in the catalytic reaction rate and kinetic parameters to changes in the surface composition (storage) of a catalyst.
Original languageEnglish
Pages (from-to)6754-6767
Number of pages14
JournalChemical Engineering Science
Volume62
Issue number23
DOIs
Publication statusPublished - Dec 2007

ASJC Scopus subject areas

  • Chemical Engineering(all)

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