Screening of carbonaceous nanoporous materials for capture of nerve agents

QR Code

Screening of carbonaceous nanoporous materials for capture of nerve agents

A strategy for combined experimental and computational screening of candidate carbonaceous materials for capturing highly volatile nerve agents at ambient temperature using physisorption. Based on theoretical calculations of Henry constants and zero-coverage adsorption enthalpies for sarin and DMMP...

Full description

Bibliographic Details
Main Authors:	Kowalczyk, Piotr, Gauden, P., Terzyk, A., Neimark, A.
Format:	Journal Article
Published:	R S C Publications 2013
Online Access:	http://hdl.handle.net/20.500.11937/40842

Similar Items

Microscopic model of carbonaceous nanoporous molecular sieves—anomalous transport in molecularly confined spaces
by: Kowalczyk, Poitr, 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)

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

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

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

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)

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

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

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)

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

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)

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

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

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)

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

Hydrogen storage in nanoporous carbon materials: myth and facts
by: Kowalczyk, Poitr, et al.
Published: (2007)

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

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

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

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

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)

Carbon materials as new nanovehicles in hot-melt drug deposition
by: Bielicka, Agnieszka, et al.
Published: (2013)

Applicability of molecular simulations for modelling the adsorption of the greenhouse gas CF4 on carbons.
by: Furmaniak, S., et al.
Published: (2013)

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)

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

Constant pressure path integral Gibbs ensemble Monte Carlo method
by: Kowalczyk, Piotr, et al.
Published: (2013)

Modeling of the Hysteresis Phenomena in Finite-Sized Slitlike Nanopores. Revision of the Recent Results by Rigorous Numerical Analysis
by: Kowalczyk, Poitr, et al.
Published: (2005)

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

Predicting the structure of screw dislocations in nanoporous materials
by: Walker, A., et al.
Published: (2004)

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

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

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

Carbonaceous materials for the electrochemical clean-up of wastewater
by: Norten, Fiona Hestbæk Tennant
Published: (2018)

Optimization of Coarse-Grained Interaction Potential: Inside Inherent Limitations of Coarse-Graining Methods
by: Kowalczyk, Piotr, et al.
Published: (2011)

Role of Short-Range Directional Interactions in Coarse-Graining of Protic/Aprotic Liquids
by: Kowalczyk, Piotr, 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)

Optimization of Slitlike Carbon Nanopores for Storage of hythane Fuel at Ambient Temperatures
by: Kowalczyk, Poitr, et al.
Published: (2006)