Présente les techniques de simulation de Monte-Carlo et donne des exemples d'applications industrielles. Aborde les fondations de la simulation moléculaire, les équilibres de phase et les propriétés liquides, l'absorption, les perspectives. ©Electre 2025
Molecular simulation is an emerging technology for determining the properties of many systems that are of interest to the oil and gas industry, and more generally to the chemical industry. Based on a universally accepted theoretical background, molecular simulation accounts for the precise structure of molecules in evaluating their interactions.
Taking advantage of the availability of powerful computers at moderate cost, molecular simulation is now providing reliable predictions in many cases where classical methods (such as equations of state or group contribution methods) have limited prediction capabilities. This is particularly useful for designing processes involving toxic components, extreme pressure conditions, or adsorption selectivity in micorporous adsorbents. Molecular simulation moreover provides a detailed understanding of system behaviour.
As illustrated by their award form the American Institute of Chemical Engineers for the best overall performance at the Fluid Simulation Challenge 2004, the authors are recognized experts in Monte Carlo simulation techniques, which they use to address equilibrium properties. This book presents these techniques in sufficient detail for readers to understand how simulation works, and describes many applications for industrially relevant problems. The book is primarily dedicated to chemical engineers who are not yet conversant with molecular simulation techniques. In addition, specialists in molecular simulation will be interested in the large scope of applications presented (including fluid properties, fluid phase equilibria, adsorption in zeolites, etc.).
Paru le : 01/07/2005
Thématique : Matériaux
Auteur(s) : Auteur : Philippe Ungerer Auteur : Bernard Tavitian Auteur : Anne Boutin
Éditeur(s) :
Technip
Collection(s) : IFP-Institut français du pétrole publications
Série(s) : Non précisé.
ISBN : Non précisé.
EAN13 : 9782710808589
Reliure : Broché
Pages : XII-295
Hauteur: 24.0 cm / Largeur 17.0 cm
Épaisseur: 1.9 cm
Poids: 589 g
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