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J Colloid Interface Sci. 2017 Oct 15;504:171-177. doi: 10.1016/j.jcis.2017.05.066. Epub 2017 May 21.

Investigation of solvation of iron nanoclusters in ionic liquid 1-butyl-1,1,1-trimethylammonium methane sulfonate using molecular dynamics simulations: Effect of cluster size at different temperatures.

Journal of colloid and interface science

Mohsen Abbaspour, Hamed Akbarzadeh, Parnian Yousefi, Mohammad Razmkhah

Affiliations

  1. Dep. of Chemistry, Hakim Sabzevari University, Sabzevar, Iran. Electronic address: [email protected].
  2. Dep. of Chemistry, Hakim Sabzevari University, Sabzevar, Iran.
  3. Dep. of Chemical Engineering, Ferdowsi University of Mashhad, Mashhad, Iran.

PMID: 28550747 DOI: 10.1016/j.jcis.2017.05.066

Abstract

The systems composed of metal nanoclusters in ionic liquids are relevant for applications in lubrication, electrochemical devices, catalysis, and chemical processes. The mechanism of solvation and interactions of these systems are not understood at present. In this work, we have simulated iron nanoclusters with different sizes in ionic liquid 1-butyl-1,1,1-trimethylammonium methane sulfonate [N

Copyright © 2017 Elsevier Inc. All rights reserved.

Keywords: Ionic liquid; Iron nanocluster; Molecular dynamics simulation; Solvation

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