Effects of methanol on nanoparticle self-assembly at liquid-liquid interfaces: a molecular dynamics approach

The Journal of Chemical Physics
Mingxiang LuoLenore L Dai

Abstract

Molecular dynamics simulations have been performed to study the influence of methanol on the self-assembly of nanoparticles at liquid-liquid interfaces. The simulation shows that the methanol molecules, at low volume fraction, stay in the aqueous phase but with a preference of the water-trichloroethylene (TCE) interfaces. However, at higher methanol volume fraction, methanol dominates the aqueous phase and no preferable location of methanol molecules is observed. The simulations also suggest that the interfacial tension decreases and the interfacial thickness increases with increasing methanol concentration. The presence of the nanoparticles at water-TCE interfaces has minor effect on the interfacial properties compared to those of methanol, and the presence of methanol drives the noncharged nanoparticle clusters closer to the interfaces. Although the methanol molecules do not affect the monolayer distribution of the negatively charged nanoparticles at the water-TCE interfaces, they increase the three-phase contact angles of these nanoparticles.

References

Feb 1, 1996·Journal of Molecular Graphics·W HumphreyK Schulten
Jan 1, 1997·Annual Review of Physical Chemistry·I Benjamin
Nov 3, 2001·Physical Review Letters·S Senapati, M L Berkowitz
Mar 15, 2003·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·José L RiveraPeter T Cummings
Oct 16, 2003·Journal of the American Chemical Society·Yao LinThomas P Russell
Jan 22, 2004·Angewandte Chemie·Francois ReinckeDaniel Vanmaekelbergh
Jul 24, 2004·Acta Crystallographica. Section D, Biological Crystallography·Alexander W Schüttelkopf, Daan M F van Aalten
Oct 21, 2004·Angewandte Chemie·Hongwei DuanHelmuth Möhwald
May 25, 2005·The Journal of Chemical Physics·L DouganJ Crain
Oct 8, 2005·Journal of Computational Chemistry·David Van Der SpoelHerman J C Berendsen
Jan 13, 2006·The Journal of Physical Chemistry. a·Oleg A Mazyar, William L Hase
Jun 28, 2006·Langmuir : the ACS Journal of Surfaces and Colloids·Mingxiang LuoLenore L Dai
Sep 15, 2007·Langmuir : the ACS Journal of Surfaces and Colloids·Yong-Kyun ParkSungho Park
Apr 12, 2008·Physical Chemistry Chemical Physics : PCCP·Huan MaLenore L Dai
Mar 5, 2009·Physical Review Letters·David L Cheung, Stefan A F Bon

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Citations

Aug 21, 2012·ACS Nano·Vladimir A TurekJoshua B Edel
Mar 10, 2010·The Journal of Chemical Physics·D Gonzalez Salgado, C Vega
Nov 20, 2012·Nature Materials·Michael P CecchiniJoshua B Edel
Jan 28, 2012·Chemistry : a European Journal·Volodymyr SashukMarcin Fiałkowski

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