Comparison of self-assembly in lattice and off-lattice model amphiphile solutions

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Publication Type Journal Article
School or College College of Engineering
Department Materials Science & Engineering
Creator Bedrov, Dmitro; Smith, Grant D.
Other Author Freed, Karl F.; Dudowicz, Jacek
Title Comparison of self-assembly in lattice and off-lattice model amphiphile solutions
Date 2002
Description Lattice Monte Carlo and off-lattice molecular dynamics simulations of h1t4 and h4t1 (head/tail) amphiphile solutions have been performed as a function of surfactant concentration and temperature. The lattice and off-lattice systems exhibit quite different self-assembly behavior at equivalent thermodynamic conditions. We found that in the weakly aggregating regime (no preferred-size micelles), all models yield similar micelle size distributions at the same average aggregation number, albeit at different thermodynamic conditions (temperatures).
Type Text
Publisher American Institute of Physics (AIP)
Journal Title The Journal of Chemical Physics
Volume 116
Issue 12
First Page 4765
Last Page 4768
DOI 10.1063/1.1461355
citatation_issn 219606
Subject Amphiphile solutions; Micellization; Surfactants
Subject LCSH Surface active agents; Molecular dynamics -- Computer simulation
Language eng
Bibliographic Citation Bedrov, D., Smith, G. D., Freed, K. F., & Dudowicz, J. (2002). Comparison of self-assembly in lattice and off-lattice model amphiphile solutions. Journal of Chemical Physics, 116(12), 4765-8.
Rights Management (c)American Institute of Physics. The following article appeared in Bedrov, D., Smith, G. D., Freed, K. F., & Dudowicz, J., Journal of Chemical Physics, 116, 2002 and may be found at http://dx.doi.org/10.1063/1.1461355.
Format Medium application/pdf
Format Extent 65,480 bytes
Identifier ir-main,6989
ARK ark:/87278/s6z616p3
Setname ir_uspace
Date Created 2012-06-13
Date Modified 2021-05-06
ID 707025
Reference URL https://collections.lib.utah.edu/ark:/87278/s6z616p3
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