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Chemical and probabilistic modelling of complex reactions: A lignin depolymerization example

โœ Scribed by J.B. McDermott; M.T. Klein

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
630 KB
Volume
41
Category
Article
ISSN
0009-2509

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โœฆ Synopsis

A new approach to the analysis of complex reaction systems in terms of model compound information is described using ifgnin depolymerization as a specific example. Model compound reaction pathways and kinetics were fncorporated into a Monte Carlo-based mathematical model of lignt (n) depolymerization. The flexibility of this stochastic modelling approach allowed for the accounting of fundamental differences between model compounds and the moieties within the real systems they are meant to mimic. Moreover, the model is truly a priori since its parameters are deduced from model compound experiments and contafn no information from experiments with actual lignins.

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