Molecular dynamics simulations of nanoparticles and surfactants at oil/water interfaces: A qualitative overview

R. J.K.Udayana Ranatunga, Chuong T. Nguyen, Chi Cheng Chiu, Wataru Shinoda, Steven O. Nielsen

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

Nanoparticles (NPs) and molecular surfactants are two classes of compounds which spontaneously localize at oil/water interfaces. Industrial and commercial applications of these systems often require precise two-dimensional organization of the localized NPs. An impediment to the realization of such systems is our under-developed understanding of the physics which governs the behavior of NPs in the presence of surfactants. Here we present a range of molecular dynamics simulation studies on non-ionic NP/surfactant systems. Analysis of the results allows us to relate the dispersive interactions of the NPs and surfactants to their physical behavior at oil/water interfaces.

Original languageEnglish
Title of host publicationAmphiphiles
Subtitle of host publicationMolecular Assembly and Applications
PublisherAmerican Chemical Society
Pages295-314
Number of pages20
ISBN (Print)9780841226500
DOIs
Publication statusPublished - 2011 Jan 1

Publication series

NameACS Symposium Series
Volume1070
ISSN (Print)0097-6156
ISSN (Electronic)1947-5918

Fingerprint

Surface-Active Agents
Molecular dynamics
Oils
Surface active agents
Nanoparticles
Water
Computer simulation
Physics

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)

Cite this

Ranatunga, R. J. K. U., Nguyen, C. T., Chiu, C. C., Shinoda, W., & Nielsen, S. O. (2011). Molecular dynamics simulations of nanoparticles and surfactants at oil/water interfaces: A qualitative overview. In Amphiphiles: Molecular Assembly and Applications (pp. 295-314). (ACS Symposium Series; Vol. 1070). American Chemical Society. https://doi.org/10.1021/bk-2011-1070.ch018
Ranatunga, R. J.K.Udayana ; Nguyen, Chuong T. ; Chiu, Chi Cheng ; Shinoda, Wataru ; Nielsen, Steven O. / Molecular dynamics simulations of nanoparticles and surfactants at oil/water interfaces : A qualitative overview. Amphiphiles: Molecular Assembly and Applications. American Chemical Society, 2011. pp. 295-314 (ACS Symposium Series).
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Ranatunga, RJKU, Nguyen, CT, Chiu, CC, Shinoda, W & Nielsen, SO 2011, Molecular dynamics simulations of nanoparticles and surfactants at oil/water interfaces: A qualitative overview. in Amphiphiles: Molecular Assembly and Applications. ACS Symposium Series, vol. 1070, American Chemical Society, pp. 295-314. https://doi.org/10.1021/bk-2011-1070.ch018

Molecular dynamics simulations of nanoparticles and surfactants at oil/water interfaces : A qualitative overview. / Ranatunga, R. J.K.Udayana; Nguyen, Chuong T.; Chiu, Chi Cheng; Shinoda, Wataru; Nielsen, Steven O.

Amphiphiles: Molecular Assembly and Applications. American Chemical Society, 2011. p. 295-314 (ACS Symposium Series; Vol. 1070).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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AB - Nanoparticles (NPs) and molecular surfactants are two classes of compounds which spontaneously localize at oil/water interfaces. Industrial and commercial applications of these systems often require precise two-dimensional organization of the localized NPs. An impediment to the realization of such systems is our under-developed understanding of the physics which governs the behavior of NPs in the presence of surfactants. Here we present a range of molecular dynamics simulation studies on non-ionic NP/surfactant systems. Analysis of the results allows us to relate the dispersive interactions of the NPs and surfactants to their physical behavior at oil/water interfaces.

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Ranatunga RJKU, Nguyen CT, Chiu CC, Shinoda W, Nielsen SO. Molecular dynamics simulations of nanoparticles and surfactants at oil/water interfaces: A qualitative overview. In Amphiphiles: Molecular Assembly and Applications. American Chemical Society. 2011. p. 295-314. (ACS Symposium Series). https://doi.org/10.1021/bk-2011-1070.ch018