Impact of the carbon pore size and topology on the equilibrium quantum sieving of hydrogen isotopes at zero coverage and finite pressures

QR Code

Impact of the carbon pore size and topology on the equilibrium quantum sieving of hydrogen isotopes at zero coverage and finite pressures

Carbonaceous slit-shaped and square-shaped pores efficiently differentiate adsorbed hydrogenisotopes at 77 and 33 K. Extensive path integral Monte Carlo simulations revealed that thesquare-shaped carbon pores enhanced the selectivity of deuterium over hydrogen in comparisonto equivalent slit-shaped...

Full description

Bibliographic Details
Main Authors:	Kowalczyk, Poitr, Gauden, P., Terzyk, A., Furmaniak, S.
Format:	Journal Article
Published:	IOP Publishing Ltd 2009
Online Access:	http://stacks.iop.org/JPhysCM/21/144210 http://hdl.handle.net/20.500.11937/8941

Similar Items

Cryogenic Separation of Hydrogen Isotopes in Single-Walled Carbon and Boron-Nitride Nanotubes: Insight into the Mechanism of Equilibrium Quantum Sieving in Quasi-One-Dimensional Pores
by: Kowalczyk, Piotr, et al.
Published: (2008)

Microscopic model of carbonaceous nanoporous molecular sieves—anomalous transport in molecularly confined spaces
by: Kowalczyk, Poitr, et al.
Published: (2010)

Adsorption potential distributions for carbons having defined pore structure-GCMC simulations of the effect of heterogeneity
by: Gauden, P., et al.
Published: (2009)

Equilibrium Properties of Dense Hydrogen Isotope Gases Based on the Theory of Simple Fluids
by: Kowalczyk, Poitr, et al.
Published: (2006)

MD simulation of organics adsorption from aqueous solution in carbon slit-like pores. Foundations of the pore blocking effect
by: Gauden, P., et al.
Published: (2014)

Frequency-Dependent Diffusion Constant of Quantum Fluids from Path Integral Monte Carlo and Tikhonov’s Regularizing Functional
by: Kowalczyk, Poitr, et al.
Published: (2009)

Some remarks on the calculation of the pore size distribution function of activated carbons
by: Gauden, P., et al.
Published: (2006)

Nanoporous Quantum Filters: Inside Vapor-Liquid Transitions of Quantum Fluids inNanopores
by: Kowalczyk, Poitr, et al.
Published: (2010)

Carbon Molecular Sieves: Reconstruction of Atomistic Structural Models with Experimental Constraints
by: Kowalczyk, Poitr, et al.
Published: (2014)

Folding of graphene slit like pore walls—a simple method of improving CO2 separation from mixtures with CH4 or N2
by: Furmaniak, S., et al.
Published: (2014)

Toward in silico modeling of palladium–hydrogen–carbon nanohorn nanocomposites
by: Kowalczyk, Poitr, et al.
Published: (2014)

Can carbon surface oxidation shift the pore size distribution curve calculated from Ar, N2 and CO2 adsorption isotherms? Simulation results for a realistic carbon model
by: Furmaniak, S., et al.
Published: (2009)

To the pore and through the pore: Thermodynamics and kinetics of helium in exotic cubic carbon polymorphs
by: Kowalczyk, Piotr, et al.
Published: (2013)

Bimodal pore size distributions for carbons: Experimental results and computational studies
by: Gauden, P., et al.
Published: (2007)

How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments
by: Terzyk, A., et al.
Published: (2007)

Quantum fluctuations increase the self-diffusive motion of para-hydrogenin narrow carbon nanotubesw
by: Kowalczyk, Piotr, et al.
Published: (2011)

Fullerene-intercalated Graphene Nano-containers — Mechanism of Argon Adsorption and High-pressure CH4 and CO2 Storage Capacities
by: Terzyk, A., et al.
Published: (2009)

Heterogeneity on high-resolution [alpha]s plots for carbon nanotubes—GCMC study
by: Terzyk, A., et al.
Published: (2008)

Benzene adsorption on carbonaceous materials: The influence of pore structure on the state of the adsorbate
by: Gauden, P., et al.
Published: (2006)

Cryogenic Helium Adsorbed in Zeolite Rho: Inside Localization Controlled Self-Diffusion of Confined Quantum Particles
by: Kowalczyk, Piotr, et al.
Published: (2011)

Equilibrium clusters in concentrated lysozyme protein solutions
by: Kowalczyk, Piotr, et al.
Published: (2011)

Improvement of the Derjaguin-Broekhoff-de Boer Theory for the Capillary Condensation/Evaporation of Nitrogen in Spherical Cavities and Its Application for the Pore Size Analysis of Silicas with Ordered Cagelike Mesopores
by: Kowalczyk, Poitr, et al.
Published: (2005)

The influence of carbon surface oxygen groups on Dubinin–Astakhov equation parameters calculated from CO2 adsorption isotherm
by: Furmaniak, S., et al.
Published: (2010)

Ar, CCl4 and C6H6 adsorption outside and inside of the bundles of multi-walled carbon nanotubes—simulation study
by: Furmaniak, S., et al.
Published: (2009)

BET surface area of carbonaceous adsorbents—Verification using geometric considerations and GCMC simulations on virtual porous carbon models
by: Gauden, P., et al.
Published: (2010)

Grand Canonical Monte Carlo Simulation Study of Hydrogen Storage in Ordered Mesoporous Carbons at 303 K
by: Kowalczyk, Poitr, et al.
Published: (2006)

Molecular dynamics of zigzag single walled carbon nanotube immersion in water
by: Gauden, P., et al.
Published: (2011)

Hyper-parallel tempering Monte Carlo simulations of Ar adsorption in new models of microporous non-graphitizing activated carbon: effect of microporosity
by: Terzyk, A., et al.
Published: (2007)

Simple model of adsorption on external surface of carbon nanotubes—a new analytical approach basing on molecular simulation data
by: Furmaniak, S., et al.
Published: (2010)

Adsorption from aqueous solutions on opened carbon nanotubes—organic compounds speed up delivery of water from inside
by: Terzyk, A., et al.
Published: (2009)

Storage of Hydrogen at 303 K in Graphite Slitlike Pores from Grand Canonical Monte Carlo Simulation
by: Kowalczyk, Poitr, et al.
Published: (2005)

Simulation of SF6 adsorption on the bundles of single walled carbon nanotubes
by: Furmaniak, S., et al.
Published: (2012)

Methane-Induced Deformation of Porous Carbons: From Normal to High-Pressure Operating Conditions
by: Kowalczyk, Piotr, et al.
Published: (2012)

Optimal Single-Walled Carbon Nanotube Vessels for Short-Term Reversible Storage of Carbon Dioxide at Ambient Temperatures
by: Kowalczyk, Piotr, et al.
Published: (2010)

Carbon Dioxide Adsorption-Induced Deformation of Microporous Carbons
by: Kowalczyk, Piotr, et al.
Published: (2010)

Material Storage Mechanism in Porous Nanocarbon – Comparison between Experiment and Simulation
by: Terzyk, A., et al.
Published: (2012)

State of Hydrogen in Idealized Carbon Slitlike Nanopores at 77 K
by: Kowalczyk, Piotr, et al.
Published: (2006)

Adsorption-induced deformation of microporous carbons: Pore size distribution effect
by: Kowalczyk, Poitr, et al.
Published: (2008)

Thermodynamics of Hydrogen Adsorption in Slit-like Carbon Nanopores at 77 K. Classical versus Path-Integral Monte Carlo Simulations
by: Kowalczyk, Piotr, et al.
Published: (2007)

Static and thermodynamic properties of low-density supercritical 4He—breakdown of the Feynman–Hibbs approximation
by: Kowalczyk, Poitr, et al.
Published: (2009)