Potentiels intermoleculaires et algorithmes de monte carlo : application a l'etude des composes oxygenes

Potentiels intermoleculaires et algorithmes de monte carlo : application a l'etude des composes oxygenes

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Ce travail de thèse a pour but de proposer des potentiels d'interaction et des méthodologies pour prédire, au travers de simulations Monte Carlo, les équilibres et propriétés de phases de systèmes oxygénés rencontrés dans les procédés de conversion de la biomasse. Le potentiel AUA4 a ainsi été...

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Bibliographic Details
Main Author:	Ferrando, Nicolas
Language:	FRE
Published:	Université Paris Sud - Paris XI 2011
Subjects:	[CHIM] Chemical Sciences Simulation Monte Carlo Potentiel AUA4 Molécules oxygénées
Online Access:	http://tel.archives-ouvertes.fr/tel-00606004 http://tel.archives-ouvertes.fr/docs/00/60/60/04/PDF/VA2_FERRANDO_NICOLAS_15062011.pdf

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