Works (15)
Updated: July 12th, 2023 21:20
2020 article
Reply to the 'Comment on "Pressure enhancement in carbon nanopores: a major confinement effect"' by D. van Dijk, Phys. Chem. Chem. Phys., 2020, 22, DOI: 10.1039/C9CP02890K
Long, Y., Palmer, J. C., Coasne, B., Shi, K., Sliwinska-Bartkowiak, M., & Gubbins, K. E. (2020, May 7). PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 22, pp. 9826–9830.
TL;DR:
This paper replies to comments on the local pressure at a point r in an inhomogeneous thermodynamic system, and discusses other possible ways to quantify the adsorption compression effect near an attractive wall.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: June 1, 2020
2013 journal article
Dynamics of nanoconfined water under pressure
PHYSICAL REVIEW E, 88(2).
TL;DR:
The application of pressure remarkably slows down the overall molecular dynamics, in agreement with previous observations, but most notably affects the slow relaxation.
(via Semantic Scholar)
open access via arxiv.org (repository)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science; OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2013 journal article
On the molecular origin of high-pressure effects in nanoconfinement: The role of surface chemistry and roughness
The Journal of Chemical Physics, 139(14), 144701.
TL;DR:
A molecular-simulation study of the pressure tensor of argon confined in slit-shaped nanopores with walls of various models, including carbon and silica materials shows that the pressure is strongly enhanced by confinement, arising from the effect of strongly attractive wall forces.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018
2012 journal article
High pressure effect in nanoporous carbon materials: Effects of pore geometry
Colloids and Surfaces A: Physicochemical and Engineering Aspects, 437, 33–41.
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Sources: NC State University Libraries, Crossref, NC State University Libraries
Added: August 6, 2018
2012 journal article
Structural analysis of water and carbon tetrachloride adsorbed in activated carbon fibres
Physical Chemistry Chemical Physics, 14(19), 7145.
TL;DR:
X-ray diffraction studies of water and carbon tetrachloride adsorbed in nanoporous activated carbon fibres suggest that very high pressures arise within the pores, as has been observed in molecular simulations, and may give rise to the large change in electronic properties of the fibres after adsorption of guest molecules.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
13. Climate Action
(Web of Science)
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018
2011 journal article
Adsorptive behavior of CO2, CH4 and their mixtures in carbon nanospace: a molecular simulation study
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(9), 3985–3996.
TL;DR:
The impact that variables such as pore size, pore morphology, pressure and mixture composition have on the performance of nanoporous carbons for CO(2) separation are discussed.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2011 journal article
Atomistic models for disordered nanoporous carbons using reactive force fields
MICROPOROUS AND MESOPOROUS MATERIALS, 154, 24–37.
author keywords: Nanoporous carbon; Adsorption; Molecular simulation; Molecular dynamics; Monte Carlo
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2011 journal article
Pressure enhancement in carbon nanopores: a major confinement effect
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(38), 17163–17170.
TL;DR:
A molecular simulation study of the pressure tensor of an argon nanophase within slit-shaped carbon pores is reported and it is shown that the tangential pressure is positive and large, while the normal pressure can be positive or negative depending on pore width.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2011 journal article
Simulating Local Adsorption Isotherms in Structurally Complex Porous Materials: A Direct Assessment of the Slit Pore Model
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2(3), 165–169.
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2011 journal article
Under pressure: Quasi-high pressure effects in nanopores
MICROPOROUS AND MESOPOROUS MATERIALS, 154, 19–23.
author keywords: Molecular simulation; Pressure tensor; Adsorption; Pressure enhancement
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2010 journal article
Adsorption and diffusion of argon in disordered nanoporous carbons
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, 17(1), 189–199.
author keywords: Anomalous diffusion; Single-file diffusion; Nanoporous carbons; Simulation; Adsorption; Molecular dynamics; Activated carbons
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2010 journal article
The role of molecular modeling in confined systems: impact and prospects
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(1), 58–85.
TL;DR:
The most important and useful methods that are based firmly on quantum mechanics and statistical mechanics, including ab intio and classical density functional theories, and Monte Carlo and molecular dynamics simulation are described.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2009 article
Adsorption and diffusion of argon confined in ordered and disordered microporous carbons
Moore, J. D., Palmer, J. C., Liu, Y.-C., Roussel, T. J., Brennan, J. K., & Gubbins, K. E. (2010, June 15). APPLIED SURFACE SCIENCE, Vol. 256, pp. 5131–5136.
author keywords: Adsorption; Diffusion; Activated carbon; Carbon replica; Faujasite
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2009 journal article
Detailed structural models for activated carbons from molecular simulation
CARBON, 47(12), 2904–2913.
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2009 journal article
Modeling the structural evolution of carbide-derived carbons using quenched molecular dynamics
CARBON, 48(4), 1116–1123.
UN Sustainable Development Goal Categories
11. Sustainable Cities and Communities
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
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