Measuring surface charge: Why experimental characterization and molecular modeling should be coupled

R Hartkamp, AL Biance, L Fu, JF Dufrêche… - Current opinion in …, 2018 - Elsevier
Surface charge controls many static and dynamic properties of soft matter and
micro/nanofluidic systems, but its unambiguous measurement forms a challenge. Standard …

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 …

[KİTAP][B] Nonequilibrium molecular dynamics: theory, algorithms and applications

BD Todd, PJ Daivis - 2017 - books.google.com
Written by two specialists with over twenty-five years of experience in the field, this valuable
text presents a wide range of topics within the growing field of nonequilibrium molecular …

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 …

Molecular transport in nanopores: a theoretical perspective

SK Bhatia, MR Bonilla, D Nicholson - Physical Chemistry Chemical …, 2011 - pubs.rsc.org
Molecular transport in nanopores plays a central role in many emerging nanotechnologies
for gas separation and storage, as well as in nanofluidics. Theories of the transport provide …

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 …

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 …

Modeling of the early stage of atherosclerosis with emphasis on the regulation of the endothelial permeability

T Silva, W Jäger, M Neuss-Radu, A Sequeira - Journal of Theoretical …, 2020 - Elsevier
In this paper, we develop a mathematical model for the early stage of atherosclerosis, as a
chronic inflammatory disease. It includes also processes that are relevant for the” thickening” …

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 …