Experimental study and molecular dynamics simulation of carbon nanotubes diffusion

The diffusion of single-walled carbon nanotubes was studied experimentally and by the molecular dynamics method. The experiments used the dynamic light scattering method. Distributions and average values of diffusion coefficients of molecules of surfactants and nanotubes in nanofluids based on water...

Full description

Saved in:
Bibliographic Details
Published in:Journal of physics. Conference series 2021-07, Vol.1959 (1), p.12039
Main Authors: Rudyak, V Ya, Belkin, A A, Krasnolutskii, S L
Format: Article
Language:English
Subjects:
Autocorrelation functions
Diffusion
Diffusion coefficient
Low concentrations
Molecular dynamics
Nanofluids
Photon correlation spectroscopy
Single wall carbon nanotubes
Size distribution
Three dimensional models
Tubes
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The diffusion of single-walled carbon nanotubes was studied experimentally and by the molecular dynamics method. The experiments used the dynamic light scattering method. Distributions and average values of diffusion coefficients of molecules of surfactants and nanotubes in nanofluids based on water were obtained. It was found that these distributions, even at low concentrations of nanotubes, can have two maxima corresponding to tubes of different sizes. The effect of centrifugation on the size distribution of nanotubes has been studied. The diffusion of one-dimensional and three-dimensional models of nanotubes in water has been studied by the molecular dynamics method. The velocity autocorrelation functions of of nanotubes of different lengths have been calculated. The presence of a negative region of these functions for small nanotubes has been established. The dependencies of the diffusion coefficient on the length are determined for both models used.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/1959/1/012039