Estimating water transport in carbon nanotubes: A critical review and inclusion of scale effects

KE Karim, M Barisik, C Bakli, BH Kim - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
The quasi-frictionless water flow across graphitic surfaces offers vast opportunities for a wide
range of applications from biomedical science to energy. However, the conflicting …

Fast transport of water in carbon nanotubes: a review of current accomplishments and challenges

A Sam, R Hartkamp, S Kumar Kannam… - Molecular …, 2021 - Taylor & Francis
The intriguing mass transport properties of carbon nanotubes (CNTs) have received
widespread attention, especially the rapid transport of water through CNTs due to their …

Anomalous friction of confined water in carbon nanotubes

X Xu, Z Li, Y Zhang, C Wang, J Zhao, N Wei - Carbon, 2024 - Elsevier
The friction of water within a carbon nanotube (CNT) is influenced by the interplay between
energy barriers and water structure. In this work, we employ a series of regular polygonal …

Water flow in carbon nanotubes: the role of tube chirality

A Sam, V Prasad, SP Sathian - Physical Chemistry Chemical Physics, 2019 - pubs.rsc.org
We investigated the effects of the chirality of carbon nanotubes (CNTs) on water transport
using molecular dynamics simulations. For the study, we considered CNTs with similar …

[HTML][HTML] Analysis of imbibition of n-alkanes in kerogen slits by molecular dynamics simulation for characterization of shale oil rocks

Q Sang, XY Zhao, HM Liu, MZ Dong - Petroleum Science, 2022 - Elsevier
Shale oil formations contain both inorganic and organic media. The organic matter holds
both free oil in the pores and dissolved oil within the kerogen molecules. The free oil flow in …

Multiscale simulations of nanofluidics: Recent progress and perspective

C Xie, H Li - Wiley Interdisciplinary Reviews: Computational …, 2023 - Wiley Online Library
Nanofluidics research has achieved a significant growth over the past few years. New
phenomena of nanoscaled fluid flows are being reported continuously, such as altered …

Improved lattice Boltzmann method to simulate liquid flow in nanoporous media: Coupling molecular dynamics simulations and theoretical model

H Wang, Y Su, W Wang - Advances in Water Resources, 2022 - Elsevier
Understanding the mechanisms of nanoconfined liquid flow in nanoporous media is crucial
for many scientific and engineering applications such as enhanced shale oil recovery and …

Nanoscale slip length prediction with machine learning tools

F Sofos, TE Karakasidis - Scientific Reports, 2021 - nature.com
This work incorporates machine learning (ML) techniques, such as multivariate regression,
the multi-layer perceptron, and random forest to predict the slip length at the nanoscale …

[HTML][HTML] Shear force measurement of the hydrodynamic wall position in molecular dynamics

C Herrero, T Omori, Y Yamaguchi, L Joly - The Journal of chemical …, 2019 - pubs.aip.org
Flows in nanofluidic systems are strongly affected by liquid-solid slip, which is quantified by
the slip length and by the position where the slip boundary condition applies. Here, we show …

Untangling the physics of water transport in boron nitride nanotubes

S Mistry, R Pillai, D Mattia, MK Borg - Nanoscale, 2021 - pubs.rsc.org
Carbon nanotubes (CNTs) have long been heralded as the material of choice for next-
generation membranes. Some studies have suggested that boron nitride nanotubes …