Works (11)
Updated: July 5th, 2023 15:56
2008 journal article
Molecular-level simulations of chemical reaction equilibrium for nitric oxide dimerization reaction in disordered nanoporous carbons
FLUID PHASE EQUILIBRIA, 272(1-2), 18–31.
author keywords: Disordered nanoporous carbon; Macroscopic adsorption model; Reaction Ensemble Monte Carlo; Reaction equilibrium; Reactive adsorption isotherm
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
13. Climate Action
(Web of Science)
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.
Sources: NC State University Libraries, 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).
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2007 conference paper
Stability of porous carbon structures obtained from reverse Monte Carlo using tight binding and bond order Hamiltonians
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, 169–176.
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.
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 article
Adsorption, structure and dynamics of fluids in ordered and disordered models of porous carbons
MOLECULAR PHYSICS, Vol. 104, pp. 3491–3499.
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
Freezing of fluids confined in a disordered nanoporous structure
Physical Review Letters, 97(10).
Source: NC State University Libraries
Added: August 6, 2018
2006 journal article
Molecular modeling of porous carbons using the hybrid reverse Monte Carlo method
LANGMUIR, 22(24), 9942–9948.
MeSH headings : Carbon / chemistry; Chemistry / methods; Computer Simulation; Hydrogen / chemistry; Models, Molecular; Models, Statistical; Models, Theoretical; Monte Carlo Method; Sucrose / chemistry; Surface Properties; Thermodynamics
TL;DR:
A simulation protocol based on the reverse Monte Carlo method, which incorporates an energy constraint, is applied to model porous carbons in which hydrogen atoms are taken into account explicitly in addition to the carbon atoms and is found that the model reproduces the experimental pair correlation function with good accuracy.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2006 journal article
Ring connectivity: Measuring network connectivity in network covalent solids
LANGMUIR, 23(3), 1123–1130.
TL;DR:
This work presents a method to calculate the ring connectivity, or clustering, of rings, and finds that in a set of models of disordered carbons, obtained using a reverse Monte Carlo procedure, the five-, six-, and seven-membered rings are connected together, forming clusters.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2006 journal article
Structure of saccharose-based carbon and transport of confined fluids: hybrid reverse Monte Carlo reconstruction and simulation studies
MOLECULAR SIMULATION, 32(7), 567–577.
author keywords: reverse Monte Carlo; carbon; pore size distribution; diffusivity
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2005 article
Effects of activation on the structure and adsorption properties of a nanoporous carbon using molecular simulation
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, Vol. 11, pp. 355–360.
author keywords: reverse Monte Carlo; molecular simulation; activation; adsorption
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
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