Relating the structure and dynamics of ionic liquids under shear by means of reverse non-equilibrium molecular dynamics simulations-Reference-Cited by-同舟云学术

Relating the structure and dynamics of ionic liquids under shear by means of reverse non-equilibrium molecular dynamics simulations

Published:2021 Issue:25 Volume:23 Page:13984-13995
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Bernardino Kalil¹²³⁴⁵^ORCID,Ribeiro Mauro C. C.¹²³⁴⁵^ORCID

Affiliation:

1. Laboratório de Espectroscopia Molecular

2. Departamento de Química Fundamental

3. Instituto de Química

4. Universidade de São Paulo

5. Av. Prof. Lineu Prestes 748

Abstract

The effect of shear rate on the viscosity and the structure of 1-ethyl-3-methylimidazolium based ionic liquids with three different anions was studied by means of RNEMD simulations using polarizable force field and correlated with Carreau equation.

Funder

Fundação de Amparo à Pesquisa do Estado de São Paulo

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP01205C

Reference52 articles.

1. Air and water stable 1-ethyl-3-methylimidazolium based ionic liquids

2. A Review of Ionic Liquid Lubricants

3. Ionic Liquids as Lubricant Additives: A Review

4. Ionic liquid lubricants: designed chemistry for engineering applications

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