Carbon dioxide transport in carbon nanopores

Dimitrios Mantzalis; Nikolaos Asproulis; Dimitris Drikakis

doi:10.1088/1742-6596/362/1/012018

Carbon dioxide transport in carbon nanopores

Dimitrios Mantzalis, Nikolaos Asproulis, Dimitris Drikakis

Faculty Of Engineering

Research output: Contribution to journal › Article › peer-review

Abstract

In the present study atomistic simulations are employed for investigating the CO2 transport properties through pores that are of slit, cylindrical and scroll configuration. We aim to investigate any possible differences in the adsorption process among the three different geometries focusing on the adsorption type that occurs along with pore filling and pore emptying mechanisms. Carbon-slit pores are of widths between 0.8 and 2.0 nm. The simulated Single-Walled Carbon Nanotubes (SWNTs) are of 1.08 and 2.17 nm ((8,8) and (16,16) respectively) while for the Carbon Nanoscrolls (CNSs) the inner diameter corresponds to a (6,6) SWNT with an intralayer distance of 0.4 to 1.0nm.

Original language	English
Article number	012018
Number of pages	8
Journal	Journal of Physics: Conference Series
Volume	362
Issue number	1
DOIs	https://doi.org/10.1088/1742-6596/362/1/012018
Publication status	Published - 23 May 2012

Keywords

adsorption process
atomistic simulations
carbon dioxide transport
carbon nanopores
carbon nanoscrolls
carbon-slit pores
different geometry
inner diameters
intra-layer
pore filling
adsorption
carbon
carbon dioxide
single-walled carbon nanotubes
transport properties
nanopores

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10.1088/1742-6596/362/1/012018

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title = "Carbon dioxide transport in carbon nanopores",

abstract = "In the present study atomistic simulations are employed for investigating the CO2 transport properties through pores that are of slit, cylindrical and scroll configuration. We aim to investigate any possible differences in the adsorption process among the three different geometries focusing on the adsorption type that occurs along with pore filling and pore emptying mechanisms. Carbon-slit pores are of widths between 0.8 and 2.0 nm. The simulated Single-Walled Carbon Nanotubes (SWNTs) are of 1.08 and 2.17 nm ((8,8) and (16,16) respectively) while for the Carbon Nanoscrolls (CNSs) the inner diameter corresponds to a (6,6) SWNT with an intralayer distance of 0.4 to 1.0nm.",

keywords = "adsorption process, atomistic simulations, carbon dioxide transport, carbon nanopores, carbon nanoscrolls, carbon-slit pores, different geometry, inner diameters, intra-layer, pore filling, adsorption, carbon, carbon dioxide, single-walled carbon nanotubes, transport properties, nanopores",

author = "Dimitrios Mantzalis and Nikolaos Asproulis and Dimitris Drikakis",

note = "Presented at the 1st European Conference on Gas Micro Flows (GasMems 2012), 6–8 June 2012, Skiathos, Greece.",

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AU - Mantzalis, Dimitrios

AU - Asproulis, Nikolaos

AU - Drikakis, Dimitris

N1 - Presented at the 1st European Conference on Gas Micro Flows (GasMems 2012), 6–8 June 2012, Skiathos, Greece.

PY - 2012/5/23

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N2 - In the present study atomistic simulations are employed for investigating the CO2 transport properties through pores that are of slit, cylindrical and scroll configuration. We aim to investigate any possible differences in the adsorption process among the three different geometries focusing on the adsorption type that occurs along with pore filling and pore emptying mechanisms. Carbon-slit pores are of widths between 0.8 and 2.0 nm. The simulated Single-Walled Carbon Nanotubes (SWNTs) are of 1.08 and 2.17 nm ((8,8) and (16,16) respectively) while for the Carbon Nanoscrolls (CNSs) the inner diameter corresponds to a (6,6) SWNT with an intralayer distance of 0.4 to 1.0nm.

AB - In the present study atomistic simulations are employed for investigating the CO2 transport properties through pores that are of slit, cylindrical and scroll configuration. We aim to investigate any possible differences in the adsorption process among the three different geometries focusing on the adsorption type that occurs along with pore filling and pore emptying mechanisms. Carbon-slit pores are of widths between 0.8 and 2.0 nm. The simulated Single-Walled Carbon Nanotubes (SWNTs) are of 1.08 and 2.17 nm ((8,8) and (16,16) respectively) while for the Carbon Nanoscrolls (CNSs) the inner diameter corresponds to a (6,6) SWNT with an intralayer distance of 0.4 to 1.0nm.

KW - adsorption process

KW - atomistic simulations

KW - carbon dioxide transport

KW - carbon nanopores

KW - carbon nanoscrolls

KW - carbon-slit pores

KW - different geometry

KW - inner diameters

KW - intra-layer

KW - pore filling

KW - adsorption

KW - carbon

KW - carbon dioxide

KW - single-walled carbon nanotubes

KW - transport properties

KW - nanopores

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DO - 10.1088/1742-6596/362/1/012018

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VL - 362

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

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Carbon dioxide transport in carbon nanopores

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Keywords

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