Carbon dioxide transport in carbon nanopores

Dimitrios Mantzalis, Nikolaos Asproulis, Dimitris Drikakis

Research output: Contribution to journalArticle

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 languageEnglish
Article number012018
Number of pages8
JournalJournal of Physics: Conference Series
Volume362
Issue number1
DOIs
Publication statusPublished - 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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