Literature DB >> 15836348

Molecular dynamics simulations of the surface tension of ionic liquids.

Minerva González-Melchor1, Fernando Bresme, José Alejandre.   

Abstract

We report molecular dynamics computer simulations of the surface tension and interfacial thickness of ionic liquid-vapor interfaces modeled with a soft core primitive model potential. We find that the surface tension shows an anomalous oscillatory behavior with interfacial area. This observation is discussed in terms of finite size effects introduced by the periodic boundary conditions employed in computer simulations. Otherwise we show that the thickness of the liquid-vapor interface increases with surface area as predicted by the capillary wave theory. Data on the surface tension of size-asymmetric ionic liquids are reported and compared with experimental data of molten salts. Our data suggest that the surface tensions of size-asymmetric ionic liquids do not follow a corresponding states law.

Entities:  

Year:  2005        PMID: 15836348     DOI: 10.1063/1.1861878

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles.

Authors:  Harold W Hatch; Steven W Hall; Jeffrey R Errington; Vincent K Shen
Journal:  J Chem Phys       Date:  2019-10-14       Impact factor: 3.488

2.  Interfacial properties of the ionic liquid [bmim][triflate] over a wide range of temperatures.

Authors:  José L Rivera; Luis Molina-Rodríguez; Mariana Ramos-Estrada; Pedro Navarro-Santos; Enrique Lima
Journal:  RSC Adv       Date:  2018-03-13       Impact factor: 4.036

  2 in total

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