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Molecular dynamics simulations of oil solubilization in surfactant solutions

Oil solubilization in micelles is an important factor in improved oil recovery and other industrial applications. Molecular dynamics simulations have been performed on a simple water/oil/surfactant model to mimic the solubilization of nonpolar molecules into aqueous surfactant solutions. Three mecha...

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Published in:	Langmuir 1993-05, Vol.9 (5), p.1175-1178
Main Authors:	Karaborni, S, van Os, N. M, Esselink, K, Hilbers, P. A. J
Format:	Article
Language:	English
Subjects:	02 PETROLEUM 020300 - Petroleum- Drilling & Production 400201 - Chemical & Physicochemical Properties AGGLOMERATION Chemistry Colloidal state and disperse state COMPUTERIZED SIMULATION DISPERSIONS ENHANCED RECOVERY Exact sciences and technology General and physical chemistry INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY MATHEMATICAL MODELS MICELLAR SYSTEMS Micelles. Thin films MIXTURES OILS ORGANIC COMPOUNDS OTHER ORGANIC COMPOUNDS SIMULATION SOLUBILITY SOLUTIONS SURFACTANTS
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cited_by	cdi_FETCH-LOGICAL-a357t-4241ba26e8467af3cadab02657e67df5ebaebb33ead74bd0c581b7cdcc0a0a183
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container_end_page	1178
container_issue	5
container_start_page	1175
container_title	Langmuir
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creator	Karaborni, S van Os, N. M Esselink, K Hilbers, P. A. J
description	Oil solubilization in micelles is an important factor in improved oil recovery and other industrial applications. Molecular dynamics simulations have been performed on a simple water/oil/surfactant model to mimic the solubilization of nonpolar molecules into aqueous surfactant solutions. Three mechanisms have been identified through which oil molecules are transferred from the oil phase to the micelles: (1) dissolution of oil molecules in the solvent phase before being captured by the micelles; (2) exchange of oil molecules between the oil droplet and the micelles during a soft collision; (3) collective desorption of surfactants and oil molecules from the oil droplet surface. 16 refs., 4 figs.
doi_str_mv	10.1021/la00029a004
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language	eng
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source	ACS CRKN Legacy Archives
subjects	02 PETROLEUM 020300 - Petroleum- Drilling & Production 400201 - Chemical & Physicochemical Properties AGGLOMERATION Chemistry Colloidal state and disperse state COMPUTERIZED SIMULATION DISPERSIONS ENHANCED RECOVERY Exact sciences and technology General and physical chemistry INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY MATHEMATICAL MODELS MICELLAR SYSTEMS Micelles. Thin films MIXTURES OILS ORGANIC COMPOUNDS OTHER ORGANIC COMPOUNDS SIMULATION SOLUBILITY SOLUTIONS SURFACTANTS
title	Molecular dynamics simulations of oil solubilization in surfactant solutions
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