Coarse grain models and the computer simulation of soft materials

SO Nielsen, CF Lopez, G Srinivas… - Journal of Physics …, 2004 - iopscience.iop.org
This article presents a topical review of coarse grain simulation techniques. First, we
motivate these techniques with illustrative examples from biology and materials science …

Computer simulation of surfactant solutions

JC Shelley, MY Shelley - Current opinion in colloid & interface science, 2000 - Elsevier
Major advances have been made at several levels of computer simulation of surfactant
solutions. Atomistic level studies of preassembled surfactant structures have become fairly …

SDS surfactants on carbon nanotubes: aggregate morphology

NR Tummala - ACS nano, 2009 - ACS Publications
Although carbon nanotubes have attracted enormous research interest, their practical
application is still hindered, primarily, by the difficulty of separating them into samples …

Synthesis of graphene oxide nanosheets by electrochemical exfoliation of graphite in cetyltrimethylammonium bromide and its application for oxygen reduction

K Kakaei, K Hasanpour - Journal of Materials Chemistry A, 2014 - pubs.rsc.org
An electrochemical method is reported for the production of graphene oxide (GO) and
graphene nanosheets using the following steps: electrochemical intercalation of …

Electrodeposition-assisted rapid preparation of Pt nanocluster/3D graphene hybrid nanozymes with outstanding multiple oxidase-like activity for distinguishing …

N Qiu, Y Liu, R Guo - ACS Applied Materials & Interfaces, 2020 - ACS Publications
Here, we demonstrate a facile bottom-up strategy to fabricate Pt nanoclusters (Pt NCs)
grafted onto three-dimensional graphene foam (3D GF) assisted by cetyltrimethyl …

Ice-like water supports hydration forces and eases sliding friction

N Dhopatkar, AP Defante, A Dhinojwala - Science advances, 2016 - science.org
The nature of interfacial water is critical in several natural processes, including the
aggregation of lipids into the bilayer, protein folding, lubrication of synovial joints, and …

Surfactant adsorbed layer structure at solid/solution interfaces: impact and implications of AFM imaging studies

GG Warr - Current opinion in colloid & interface science, 2000 - Elsevier
Recent advances in determination and understanding of surfactant adsorbed layer structure
at the solid/solution interface are reviewed, with particular attention to atomic force …

Role of counterion condensation in the self-assembly of sds surfactants at the water− graphite interface

NR Tummala, A Striolo - The Journal of Physical Chemistry B, 2008 - ACS Publications
The aggregate structure of sodium dodecyl sulfate (SDS) adsorbed at the graphite− water
interface has been studied with the aid of molecular dynamics (MD) simulations. As …

Simulations of zwitterionic and anionic phospholipid monolayers

YN Kaznessis, S Kim, RG Larson - Biophysical journal, 2002 - cell.com
Results of atomistic molecular dynamics simulations of dipalmitoylphosphatidylcholine and
dipalmitoylphosphatidylglycerol monolayers at the air/water interface are presented …

Self-aggregation of the SDS surfactant at a solid− liquid interface

H Domínguez - The Journal of Physical Chemistry B, 2007 - ACS Publications
Molecular dynamics simulations of sodium dodecyl sulfate (SDS) molecules on a graphite
surface are presented. The simulations were conducted at low and high surface coverage to …