Issue 7, 2018

Molecular dynamics simulation of a nanofluidic energy absorption system: effects of the chiral vector of carbon nanotubes

Abstract

A Nanofluidic Energy Absorption System (NEAS) is a novel nanofluidic system with a small volume and weight. In this system, the input mechanical energy is converted to surface tension energy during liquid infiltration in the nanotube. The NEAS is made of a mixture of nanoporous material particles in a functional liquid. In this work, the effects of the chiral vector of a carbon nanotube (CNT) on the performance characteristics of the NEAS are investigated by using molecular dynamics simulation. For this purpose, six CNTs with different diameters for each type of armchair, zigzag and chiral, and several chiral CNTs with different chiral vectors (different values of indices (m,n)) are selected and studied. The results show that in the chiral CNTs, the contact angle shows the hydrophobicity of the CNT, and infiltration pressure is reduced by increasing the values of m and n (increasing the CNT diameter). Contact angle and infiltration pressure are decreased by almost 1.4% and 9% at all diameters, as the type of CNT is changed from chiral to zigzag and then to armchair. Absorbed energy density and efficiency are also decreased by increasing m and n and by changing the type of CNT from chiral to zigzag and then to armchair.

Graphical abstract: Molecular dynamics simulation of a nanofluidic energy absorption system: effects of the chiral vector of carbon nanotubes

Article information

Article type
Paper
Submitted
01 Nov 2017
Accepted
12 Jan 2018
First published
16 Jan 2018

Phys. Chem. Chem. Phys., 2018,20, 5140-5148

Molecular dynamics simulation of a nanofluidic energy absorption system: effects of the chiral vector of carbon nanotubes

S. H. Ganjiani and A. Hossein Nezhad, Phys. Chem. Chem. Phys., 2018, 20, 5140 DOI: 10.1039/C7CP07395J

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