Applicability of molecular simulations for modelling the adsorption of the greenhouse gas CF4 on carbons.

QR Code

Applicability of molecular simulations for modelling the adsorption of the greenhouse gas CF4 on carbons.

Tetrafluoromethane, CF4, is a powerful greenhouse gas, and the possibility of storing it in microporous carbon has been widely studied. In this paper we show, for the first time, that the results of molecular simulations can be very helpful in the study of CF4 adsorption. Moreover,experimental data...

Full description

Bibliographic Details
Main Authors:	Furmaniak, S., Terzyk, A., Gauden, P., Kowalczyk, Piotr, Harris, P., Koter, S.
Format:	Journal Article
Published:	Institute of Physics Publishing Ltd. 2013
Online Access:	http://hdl.handle.net/20.500.11937/10439

Similar Items

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

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

The influence of the carbon surface chemical composition on Dubinin-Astakhov equation parameters calculated from SF6 adsorption data: grand canonical Monte Carlo simulation
by: Furmaniak, Sylwester, et al.
Published: (2011)

Cryogenic Noble Gas Separation without Distillation: The Effect of Carbon Surface Curvature on Adsorptive Separation
by: Kowalczyk, Piotr, et al.
Published: (2012)

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)

Activated carbon immersed in water—the origin of linearcorrelation between enthalpy of immersion and oxygencontent studied by molecular dynamics simulation
by: Terzyk, A., 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)

Displacement of Methane by Coadsorbed Carbon Dioxide Is Facilitated In Narrow Carbon Nanopores
by: Kowalczyk, Piotr, et al.
Published: (2012)

Virtual Porous Carbons
by: Terzyk, A., et al.
Published: (2012)

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)

Detecting adsorption space in carbon nanotubes by benzene uptake
by: Wisniewski, M., et al.
Published: (2013)

Heterogeneous Do–Do model of water adsorption on carbons
by: Furmaniak, S., et al.
Published: (2005)

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)

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)

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

Synergetic effect of carbon nanopore size and surface oxidation on CO2 capture from CO2/CH4 mixtures
by: Furmaniak, Sylwester, et al.
Published: (2013)

Influence of activated carbon surface oxygen functionalities on SO2 physisorption – Simulation and experiment
by: Furmaniak, S., et al.
Published: (2013)

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

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)

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

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

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

The system of carbon tetrachloride and closed carbon nanotubes analyzed by a combination of molecular simulations, analytical modeling, and adsorption calorimetry
by: Furmaniak, S., et al.
Published: (2010)

Separation of CO2-CH4 mixtures on defective single walled carbon nanohorns - tip does matter
by: Furmaniak, S., et al.
Published: (2013)

Simulating the changes in carbon structure during the burn-off process
by: Furmaniak, S., et al.
Published: (2011)

Thermodynamics of the CMMS Approach and Carbon Surface Chemistry in SO2 Adsorption
by: Furmaniak, S., et al.
Published: (2006)

Efficient Adsorption of Super Greenhouse Gas (Tetrafluoromethane) in Carbon Nanotubes
by: Kowalczyk, Poitr, et al.
Published: (2008)

Virtual Porous Carbon (VPC) Models: Application in the Study of Fundamental Activated Carbon Properties by Molecular Simulations
by: Teyzyk, A., et al.
Published: (2011)

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)

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

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

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)

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

Surface to volume ratio of carbon nanohorn - a crucial factor in co 2/ch4 mixture separation
by: Furmaniak, Sylwester, et al.
Published: (2014)

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

The first atomistic modelling-aided reproduction of morphologically defective single walled carbon nanohorns
by: Furmaniak, S., et al.
Published: (2013)

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)

Structural properties of amorphous diamond-like carbon: percolation, cluster, and pair correlation analysis
by: Kowalczyk, Piotr, et al.
Published: (2012)

Thermodynamics of benzene adsorption on oxidized carbon nanotubes – experimental and simulation studies
by: Wisniewski, M., et al.
Published: (2012)

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