Flow and structure of fluids in functionalized nanopores

José Rafael Bordin and Marcia C. Barbosa

Physica A: Statistical Mechanics and its Applications, 2017, vol. 467, issue C, 137-147

Abstract: We investigate through non-equilibrium molecular dynamics simulations the structure and flow of fluids in functionalized nanopores. The nanopores are modeled as cylindrical structures with solvophilic and solvophobic sites. Two fluids are modeled. The first is a standard Lennard Jones fluid. The second one is modeled with an isotropic two-length scale potential, which exhibits in bulk water-like anomalies. Our results indicate distinct dependence of the overall mass flux for each species of fluid with the number of solvophilic sites for different nanotubes’ radii. Also, the density and fluid structure are dependent on the nanotube radius and the solvophilic properties of the nanotube. This indicates that the presence of a second length scale in the fluid–fluid interaction will lead to distinct behavior. Also, our results show that chemically functionalized nanotubes with different radii will have distinct nanofluidic features. Our results are explained on the basis of the characteristic scale fluid properties and the effects of nanoconfinement.

Keywords: Anomalous fluids; Nanofluidics; Nanoconfinement; Water (search for similar items in EconPapers)
Date: 2017
References: View references in EconPapers View complete reference list from CitEc
Citations: View citations in EconPapers (1)

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/S037843711630694X
Full text for ScienceDirect subscribers only. Journal offers the option of making the article available online on Science direct for a fee of $3,000

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:467:y:2017:i:c:p:137-147

DOI: 10.1016/j.physa.2016.10.007

Access Statistics for this article

Physica A: Statistical Mechanics and its Applications is currently edited by K. A. Dawson, J. O. Indekeu, H.E. Stanley and C. Tsallis

More articles in Physica A: Statistical Mechanics and its Applications from Elsevier
Bibliographic data for series maintained by Catherine Liu ().