Works (16)

Updated: July 5th, 2023 16:01

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 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

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.

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 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

An experimental study of melting of CCl4 in carbon nanotubes

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 7(22), 3884–3887.

By: M. Jazdzewska*, F. Hung n, K. Gubbins n & M. Sliwinska-Bartkowiak*

MeSH headings : Carbon Tetrachloride / chemistry; Electric Capacitance; Nanotubes, Carbon / chemistry; Particle Size; Spectrum Analysis; Transition Temperature
TL;DR: Dielectric relaxation spectroscopy measurements of the melting point of carbon tetrachloride confined within open-tip multi-walled carbon nanotubes with two different pore diameters suggest that all regions of adsorbate freeze at the same temperature, and that freezing occurs at higher temperatures upon reduction of the pore diameter. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2005 journal article

Effect of Confinement on Freezing of CCl4 in Cylindrical Pores

Adsorption, 11(S1), 391–396.

author keywords: confinement; solid-fluid transitions; molecular simulation; dielectric relaxation; carbon nanotubes
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
13. Climate Action (Web of Science)
Sources: Web Of Science, Crossref, 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

Freezing/melting of Lennard-Jones fluids in carbon nanotubes

APPLIED PHYSICS LETTERS, 86(10).

By: F. Hung n, K. Gubbins n, R. Radhakrishnan*, K. Szostak*, F. Beguin*, G. Dudziak*, 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

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 journal article

Molecular simulation of gas adsorption in realistic models of silica nanopores

ANNALES DE CHIMIE-SCIENCE DES MATERIAUX, 30(4), 375–383.

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

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.

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

2004 article

Freezing/melting behaviour within carbon nanotubes

Hung, F. R., Dudziak, G., Sliwinska-Bartkowiak, M., & Gubbins, K. E. (2004, January 20). MOLECULAR PHYSICS, Vol. 102, pp. 223–234.

By: F. Hung n, G. Dudziak*, M. Sliwinska-Bartkowiak* & 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

2000 journal article

Adsorption of water vapor-methane mixtures on activated carbons

LANGMUIR, 16(12), 5418–5424.

By: E. Muller*, F. Hung* & K. Gubbins n

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

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