Works (21)

Updated: July 5th, 2023 15:58

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

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

2009 journal article

Modeling Micelle-Templated Mesoporous Material SBA-15: Atomistic Model and Gas Adsorption Studies

LANGMUIR, 25(10), 5802–5813.

By: S. Bhattacharya n, B. Coasne*, F. Hung* & K. Gubbins n

TL;DR: A realistic molecular model for mesoporous silica SBA-15, which includes both the large cylindrical mesopores and the smaller micropores in the pore walls is developed, and it is observed that the presence of themicropores leads to increased adsorption at low pressure compared to the case of a model without micropore walls. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2007 journal article

Adsorption and dynamics of argon in porous carbons

European Physical Journal. Special Topics, 141, 121–125.

By: B. Coasne, S. Jain & K. Gubbins

Sources: NC State University Libraries, NC State University Libraries
Added: August 6, 2018

2007 article

An apparent critical point in binary mixtures of m-nitrotoluene with n-alkanes; experimental and simulation study

Ratajczak, B., Sliwinska-Bartkowiak, M., Coasne, B., & Gubbins, K. E. (2007, December 1). JOURNAL OF NON-CRYSTALLINE SOLIDS, Vol. 353, pp. 4565–4569.

By: B. Ratajczak*, M. Sliwinska-Bartkowiak*, B. Coasne* & K. Gubbins n

author keywords: dielectric properties; relaxation; electric modulus; Monte Carlo simulations; phases and equilibria
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2007 chapter

Confinement effects on freezing of binary mixtures

In Studies in Surface Science and Catalysis (Vol. 160, pp. 667–674).

Sources: NC State University Libraries, Crossref, NC State University Libraries
Added: August 6, 2018

2007 journal article

Freezing of argon in ordered and disordered porous carbon

PHYSICAL REVIEW B, 76(8).

By: B. Coasne*, S. Jain n, L. Naamar* & K. Gubbins n

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2006 conference paper

A Monte Carlo study of capillary condensation of krypton within realistic models of templated mesoporous silica materials

Characterization of porous solids vii - proceedings of the 7th international symposium on the characterization of porous solids (cops-vii), aix-en-provence, france, 26-28 may 2005, 160, 153–160.

By: F. Hung*, B. Coasne*, K. Gubbins*, F. Siperstein, M. Thommes & M. Sliwinska-Bartkowiak

Sources: NC State University Libraries, NC State University Libraries
Added: August 6, 2018

2006 journal article

Adsorption and structure of argon in activated porous carbons

MOLECULAR SIMULATION, 32(7), 557–566.

By: B. Coasne*, K. Gubbins n, F. Hung* & S. Jain n

author keywords: adsorption; structure; porous carbons; nano-domains
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2006 journal article

Adsorption of Simple Gases in MCM-41 Materials: The Role of Surface Roughness

LANGMUIR, 22(1), 194–202.

By: B. Coasne*, F. Hung*, R. Pellenq*, F. Siperstein* & K. Gubbins*

TL;DR: Comparison with adsorption and neutron scattering experiments suggests that model B is too rough at the molecular scale but reproduces reasonably the surface disorder of real MCM-41 at larger length scales, while model A is smooth at small length scales in agreement with experiments but seems to be too ordered at large length scales. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2006 article

Adsorption, structure and dynamics of fluids in ordered and disordered models of porous carbons

MOLECULAR PHYSICS, Vol. 104, pp. 3491–3499.

By: B. Coasne*, S. Jain n & K. Gubbins n

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2006 review

Effects of confinement on freezing and melting

[Review of ]. JOURNAL OF PHYSICS-CONDENSED MATTER, 18(6), R15–R68.

By: C. Alba-Simionesco*, B. Coasne n, G. Dosseh*, G. Dudziak*, K. Gubbins n, R. Radhakrishnan*, M. Sliwinska-Bartkowiak*

TL;DR: Both simple and more complex adsorbates that are confined in various environments (slit or cylindrical pores and also disordered porous materials) are considered and how confinement affects the glass transition is addressed. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2006 journal article

Freezing of fluids confined in a disordered nanoporous structure

Physical Review Letters, 97(10).

By: B. Coasne, S. Jain & K. Gubbins

Source: NC State University Libraries
Added: August 6, 2018

2006 conference paper

Modeling triblock surfactant templated mesoporous silicas (MCF and SBA-15): A mimetic simulation study

Characterization of porous solids vii - proceedings of the 7th international symposium on the characterization of porous solids (cops-vii), aix-en-provence, france, 26-28 may 2005, 160, 527–534.

By: S. Bhattacharya n, B. Coasne*, F. Hung n & K. Gubbins n

Sources: NC State University Libraries, NC State University Libraries
Added: August 6, 2018

2005 journal article

Domain theory for capillary condensation hysteresis

PHYSICAL REVIEW B, 72(2).

By: B. Coasne n, K. Gubbins n & R. Pellenq

UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2005 journal article

Freezing and melting of azeotropic mixtures confined in nanopores: experiment and molecular simulation

MOLECULAR PHYSICS, 103(21-23), 3103–3113.

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2005 article

Freezing of mixtures confined in a slit nanopore

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, Vol. 11, pp. 301–306.

By: B. Coasne n, J. Czwartos, K. Gubbins, F. Hung & M. Sliwinska-Bartkowiak

author keywords: freezing; mixture; molecular simulation; confinement; solid-liquid phase diagram
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2005 journal article

Molecular modeling of freezing of simple fluids confined within carbon nanotubes

JOURNAL OF CHEMICAL PHYSICS, 122(14).

TL;DR: The simulations show evidence of a rich phase behavior in confinement; a number of phases, some of them inhomogeneous, were observed for the pore sizes considered and were found to be in good agreement with recent dielectric relaxation spectroscopy experiments for CCl(4) confined within multiwalled carbon nanotubes. (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

2005 article

Temperature effect on adsorption/desorption isotherms for a simple fluid confined within various nanopores

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, Vol. 11, pp. 289–294.

By: B. Coasne n, K. Gubbins n & R. Pellenq

author keywords: capillary condensation; Monte-Carlo simulation; nanoporous material; hysteresis
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2004 journal article

A grand canonical Monte Carlo study of adsorption and capillary phenomena in nanopores of various morphologies and topologies: Testing the BET and BJH characterization methods

PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION, 21(2), 149–160.

By: B. Coasne n, K. Gubbins n & R. Pellenq*

author keywords: adsorption; capillary condensation; Monte Carlo; nanopores; pore morphology
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2004 journal article

Freezing and melting of binary mixtures confined in a nanopore

MOLECULAR PHYSICS, 102(19-20), 2149–2163.

By: B. Coasne*, J. Czwartos, K. Gubbins*, F. Hung* & M. Sliwinska-Bartkowiak

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

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