Literature DB >> 24160522

Distinct dynamical and structural properties of a core-softened fluid when confined between fluctuating and fixed walls.

Leandro B Krott1, José Rafael Bordin.   

Abstract

Molecular dynamics simulations were used to study the structural and dynamical properties of a water-like core-softened fluid under confinement when the confining media is rigid or fluctuating. The fluid is modeled using a two-length scale potential that reproduces, in the bulk, the anomalous behavior observed in water. We perform simulations in the NVT ensemble for fixed flat walls and in the NpT ensemble using a fluctuating wall control of pressure to study how the fluid behavior is affected by fixed and non-fixed walls. Our results indicate that the dynamical and structural properties of the fluid are strongly affected by the wall mobility.

Entities:  

Year:  2013        PMID: 24160522     DOI: 10.1063/1.4824860

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


  2 in total

1.  Phase behaviour of a continuous shouldered well model fluid. A grand canonical Monte Carlo study.

Authors:  Miha Lukšič; Barbara Hribar-Lee; Orest Pizio
Journal:  J Mol Liq       Date:  2016-10-08       Impact factor: 6.165

2.  Nanoconfined Fluids: Uniqueness of Water Compared to Other Liquids.

Authors:  Fabio Leoni; Carles Calero; Giancarlo Franzese
Journal:  ACS Nano       Date:  2021-11-22       Impact factor: 15.881

  2 in total

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