Maiti, Prabal K. ; Chowdhury, Debashish (1998) A microscopic model of gemini surfactants: self-assemblies in water and at air-water interface Journal of Chemical Physics, 109 (12). pp. 5126-5133. ISSN 0021-9606
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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v109/i12/p512...
Related URL: http://dx.doi.org/10.1063/1.477127
Abstract
We report the results of large scale Monte Carlo (MC) simulations of novel microscopic models of gemini surfactants to elucidate (i) their spontaneous aggregation in bulk water and (ii) their spatial organization in a system where water is separated from the air above it by a sharp well defined interface. We study the variation of the critical micellar concentration (CMC) with the variation of the (a) length of the spacer, (b) length of the hydrophobic tail and (c) the bending rigidity of the hydrocarbon chains forming the spacer and the tail; some of the trends of variation are counter-intuitive but are in excellent agreement with the available experimental results. Our simulations elucidate the effects of the geometrical shape, size and density of the surfactant molecules, the ionic nature of the heads and hydrophobicity/hydrophilicity of the spacer not only on the shapes of the micellar aggregates and the magnitude of the CMC, but also on their conformations close to the air-water interface.
Item Type: | Article |
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Source: | Copyright of this article belongs to American Institute of Physics. |
ID Code: | 7830 |
Deposited On: | 25 Oct 2010 10:14 |
Last Modified: | 03 Feb 2011 05:54 |
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