[LLIBRE][B] Chemistry & Physics Of Carbon: Volume 29

LR Radovic - 2004 - taylorfrancis.com
The latest addition to this lauded series, this reference collects pioneering research on the
chemistry and physics of carbon surfaces and the structural properties of carbons. Written by …

Nitrogen adsorption in slit pores at ambient temperatures: comparison of simulation and experiment

K Kaneko, RF Cracknell, D Nicholson - Langmuir, 1994 - ACS Publications
We have used GCMC simulation to study the adsorption of nitrogen into slit-shaped
micropores at 303 K. Nitrogen was modeled as a one-center or as a two-center molecule …

Phase transitions in adsorbed layers formed on crystals of square and rectangular surface lattice

A Patrykiejew, S Sokołowski, K Binder - Surface science reports, 2000 - Elsevier
This article gives a survey of phase transitions in adsorbed films on well defined surfaces of
square and rectangular symmetry of the lattice. The discussion concentrates on the effects of …

Ordering and phase transitions in adsorbed monolayers of diatomic molecules

D Marx, H Wiechert - Advances in Chemical Physics: Surface …, 1996 - Wiley Online Library
The systematic investigation of superstructures of diatomic molecules on relatively smooth
substrates and the transitions between the phases started about two decades ago with …

Adsorption and selectivity of carbon dioxide with methane and nitrogen in slit-shaped carbonaceous micropores: simulation and experiment

RF Cracknell, D Nicholson, SR Tennison, J Bromhead - Adsorption, 1996 - Springer
We have used the grand canonical Monte Carlo method to study the adsorption and
selectivity of mixtures of carbon dioxide with methane and nitrogen at high (ie, ambient) …

Transport properties of nitrogen in single walled carbon nanotubes

VP Sokhan, D Nicholson, N Quirke - The Journal of chemical physics, 2004 - pubs.aip.org
Molecular transport of fluids through membranes at the nanometer scale is important in
many industrial processes including membrane filtration and separation. Carbon nanotubes …

On the consistency of NVT, NPT, μVT and Gibbs ensembles in the framework of kinetic Monte Carlo–Fluid phase equilibria and adsorption of pure component systems

SJ Tan, L Prasetyo, Y Zeng, DD Do… - Chemical Engineering …, 2017 - Elsevier
This paper aims to show the consistency between simulations of fluid phase properties,
obtained with various ensembles, developed within the framework of kinetic Monte Carlo …

Characterization of porous materials by gas adsorption at ambient temperatures and high pressure

MB Sweatman, N Quirke - The Journal of Physical Chemistry B, 2001 - ACS Publications
Activated carbons are amorphous microporous graphitic materials formed (or activated) from
a variety of organic precursers using high-temperature steam or acids. The possibility of …

A grand canonical Monte-Carlo study of Lennard-Jones mixtures in slit pores; 2: mixtures of two centre ethane with methane

RF Cracknell, D Nicholson, N Quirke - Molecular Simulation, 1994 - Taylor & Francis
Mixtures of ethane and methane in a slit micropore were simulated using the Grand
Canonical Monte Carlo technique. Ethane was modelled as two Lennard-Jones sites while …

On the evolution of the heat spike in the isosteric heat versus loading for argon adsorption on graphite-A new molecular model for graphite & reconciliation between …

Y Zeng, K Horio, T Horikawa, K Nakai, DD Do… - Carbon, 2017 - Elsevier
We have carried out an extensive computer simulation of argon adsorption on graphite at
temperatures in the range 40 K–100 K, using a new molecular model for graphite, and …