000			01579nab a2200217 4500
005			20260608201742.0
008			260224s2012 xxu ing
041			_aInglés
100	1		_aCreton, B. _953103
100	1		_aNieto-Draghi, C. _953104
100	1		_aPannacci, N. _953092
245	0	0	_aPrediction of Surfactants' Properties using Multiscale Molecular Modeling Tools _bA Review
260			_a _b _cnov./dic. 2012
270			_a07/05/2013 ; 07/05/2013
300			_a13 p. ; 969-982
520			_aTraducción del resúmen del autor: During one of the existing Enhanced Oil Recovery (EOR) procedures, a mixture of Alkaline/Surfactant/Polymer (ASP) is injected into wells in order to move the trapped oil from the reservoir to the wellbores. The conception and/or the tuning of new ASP combinations, structures of surfactants and/or mixtures of surfactants is of primary interest to improve the efficiency of a such procedure. Molecular modeling tools can be used to understand microscopic effects, predict surfactants' properties and finally to optimize structures and mixtures of surfactants. We propose in this article a review of the literature on the ability of molecular simulation techniques such as Molecular Dynamics (MD), Monte Carlo (MC) simulations, Dissipative Particle Dynamics (DPD) and upper scale modeling methods such as Quantitative Structure-Property Relationship (QSPR) approaches to predict thermo-physical and structural properties of surfactants.
581			_a6
773			_g
942			_cARTICULO
999			_c187656 _d187656