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The bistable TPID/CHCl3 photoreaction: Numerical simulation and experimental results
Author(s) -
Borderie B.,
Lavabre D.,
Levy G.,
Micheau J. C.,
Laplante J. P.
Publication year - 1992
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550240402
Subject(s) - bistability , chemistry , isothermal process , photochromism , continuous stirred tank reactor , dimer , residence time (fluid dynamics) , thermodynamics , flux (metallurgy) , kinetic energy , photochemistry , classical mechanics , physics , organic chemistry , optoelectronics , engineering , geotechnical engineering
Investigation of the photochromic system TPID/CHCl 3 (TPID = triphenylimidazolyl dimer) in a CSTR provided the first example of isothermal photochemical bistability. The reaction mechanism was established and the relevant kinetic and spectroscopic parameters were estimated experimentally. In order to predict the quantitative dynamic behavior of the TPID/CHCl 3 system these parameters were refined numerically using batch reactor data. The adjusted model simulates very accurately bistability either as a function of residence time τ, or as a function of incident photon flux I 0 .