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Stochastic simulation and single events kinetic modeling / Javad R. Shahrouzi in Industrial & engineering chemistry research, Vol. 47 N° 13 (Juillet 2008) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 47 N° 13 (Juillet 2008) . - p. 4308–4316 Titre : Stochastic simulation and single events kinetic modeling : application to olefin oligomerization Type de document : texte imprimé Auteurs : Javad R. Shahrouzi, Auteur ; Denis Guillaume, Auteur ; Pierre Rouchon, Auteur ; Patrick Da Costa, Auteur Année de publication : 2008 Article en page(s) : p. 4308–4316 Note générale : Bibliogr. p. 4315-4316 Langues : Anglais (eng) Mots-clés : Stochastic  tools;  Single  event  kinetic  modeling;  Oligomerization  network Résumé : In order to handle a tractable network for complex reaction systems such as oligomerization, stochastic tools are applied to reduce the reaction mechanism. The particularity of this work is that quantitative single event kinetic modeling constants are used to generate a network which correctly describes the dynamic behavior of the studied reacting system. By using the stochastic method, which is based on a probabilistic approach, we can avoid the generation of improbable reaction paths in order to reduce the network expansion. Comparison with a classical limited network shows that the proposed network generation technique can be more reliable. Alongside, the stochastic simulation algorithm can be used as a method of simulation instead of the deterministic method because of the huge size of the oligomerization network. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071215l [article] Stochastic simulation and single events kinetic modeling : application to olefin oligomerization [texte imprimé] / Javad R. Shahrouzi, Auteur ; Denis Guillaume, Auteur ; Pierre Rouchon, Auteur ; Patrick Da Costa, Auteur . - 2008 . - p. 4308–4316. Bibliogr. p. 4315-4316 Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 N° 13 (Juillet 2008) . - p. 4308–4316 Mots-clés : Stochastic  tools;  Single  event  kinetic  modeling;  Oligomerization  network Résumé : In order to handle a tractable network for complex reaction systems such as oligomerization, stochastic tools are applied to reduce the reaction mechanism. The particularity of this work is that quantitative single event kinetic modeling constants are used to generate a network which correctly describes the dynamic behavior of the studied reacting system. By using the stochastic method, which is based on a probabilistic approach, we can avoid the generation of improbable reaction paths in order to reduce the network expansion. Comparison with a classical limited network shows that the proposed network generation technique can be more reliable. Alongside, the stochastic simulation algorithm can be used as a method of simulation instead of the deterministic method because of the huge size of the oligomerization network. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071215l