Subcontinuum mass transport of condensed hydrocarbons in nanoporous media

K Falk, B Coasne, R Pellenq, FJ Ulm… - Nature communications, 2015 - nature.com
Although hydrocarbon production from unconventional reservoirs, the so-called shale gas,
has exploded recently, reliable predictions of resource availability and extraction are …

How fast does water flow in carbon nanotubes?

SK Kannam, BD Todd, JS Hansen… - The Journal of chemical …, 2013 - pubs.aip.org
The purpose of this paper is threefold. First, we review the existing literature on flow rates of
water in carbon nanotubes. Data for the slip length which characterizes the flow rate are …

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 …

Slip length of water on graphene: Limitations of non-equilibrium molecular dynamics simulations

S Kumar Kannam, BD Todd, JS Hansen… - The Journal of chemical …, 2012 - pubs.aip.org
Data for the flow rate of water in carbon nanopores is widely scattered, both in experiments
and simulations. In this work, we aim at precisely quantifying the characteristic large slip …

Slip flow in graphene nanochannels

SK Kannam, BD Todd, JS Hansen… - The Journal of chemical …, 2011 - pubs.aip.org
We investigate the hydrodynamic boundary condition for simple nanofluidic systems such as
argon and methane flowing in graphene nanochannels using equilibrium molecular …

Challenges in modelling diffusiophoretic transport

S Ramírez-Hinestrosa, D Frenkel - The European Physical Journal B, 2021 - Springer
The methodology to simulate transport phenomena in bulk systems is well-established. In
contrast, there is no clear consensus about the choice of techniques to model cross …

Prediction of fluid velocity slip at solid surfaces

JS Hansen, BD Todd, PJ Daivis - … Review E—Statistical, Nonlinear, and Soft …, 2011 - APS
The observed flow enhancement in highly confining geometries is believed to be caused by
fluid velocity slip at the solid wall surface. Here we present a simple and highly accurate …

Local viscosity of a fluid confined in a narrow pore

H Hoang, G Galliero - Physical Review E—Statistical, Nonlinear, and Soft …, 2012 - APS
In this paper, molecular dynamics simulations of a simple Lennard-Jones fluid confined in
narrow slit pores and undergoing shear have been performed. The aim is to investigate the …

A study of the anisotropy of stress in a fluid confined in a nanochannel

R Hartkamp, A Ghosh, T Weinhart… - The Journal of chemical …, 2012 - pubs.aip.org
We present molecular dynamics simulations of planar Poiseuille flow of a Lennard-Jones
fluid at various temperatures and body forces. Local thermostatting is used close to the walls …

Modeling slip and flow enhancement of water in carbon nanotubes

SK Kannam, PJ Daivis, BD Todd - MRS Bulletin, 2017 - cambridge.org
Transport properties of fluids in nanopores are of both fundamental as well as practical
interest. Water flow in carbon nanotubes (CNTs) has received significant attention since the …