Journal ArticleDOI
Unified Approach to Pore Size Characterization of Microporous Carbonaceous Materials from N2, Ar, and CO2 Adsorption Isotherms†
TLDR
In this paper, a unified approach to pore size characterization of microporous carbonaceous materials such as activated carbon and carbon fibers by nitrogen, argon, and carbon dioxide adsorption at standard temperatures, 77 K for N2 and Ar and 273 K for CO2, was presented.Abstract:
We present a unified approach to pore size characterization of microporous carbonaceous materials such as activated carbon and carbon fibers by nitrogen, argon, and carbon dioxide adsorption at standard temperatures, 77 K for N2 and Ar and 273 K for CO2. Reference isotherms of N2, Ar, and CO2 in a series of model slit-shaped carbon pores in the range from 0.3 to 36 nm have been calculated from the nonlocal density functional theory (NLDFT) using validated parameters of intermolecular interactions. Carbon dioxide isotherms have also been generated by the grand canonical Monte Carlo (GCMC) method based on the 3-center model of Harris and Yung. The validation of model parameters includes three steps: (1) prediction of vapor−liquid equilibrium data in the bulk system, (2) prediction of adsorption isotherm on graphite surface, (3) comparison of the NLDFT adsorption isotherms in pores to those of GCMC simulations, performed with the parameters of fluid-fluid interactions, which accurately reproduce vapor−liqui...read more
Citations
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Contributions of storage sites located in micro- and meso/macropores to the capacitance of carbonaceous double layer capacitor electrodes
TL;DR: In this article, a series of monolithic (nonactivated) carbon aerogel electrodes was synthesized and the major feature of the prepared model materials is their systematic variation with respect to surface area located in micro- and meso/macropores.
Journal ArticleDOI
Structural characterisation of subcritical carbon dioxide confined in nanoporous carbon by in situ neutron diffraction
Fotios K. Katsaros,Th.A. Steriotis,K.L. Stefanopoulos,Nick K. Kanellopoulos,Alex C. Hannon,J.D.F. Ramsay +5 more
TL;DR: In situ neutron diffraction measurements of adsorbed carbon dioxide in an ordered mesoporous carbon (CMK-1) have been carried out along an isotherm at 253 K and at a range of pressures up to 18 bar as mentioned in this paper.
Journal ArticleDOI
Classification methods of pore structures in coal: A review and new insight
Biao Hu,Yuanping Cheng,ZhejunPan +2 more
Journal ArticleDOI
Asymmetric Profiles and Prewetting Lines in the Filling of Planar Slits with Ne
TL;DR: The filling of slits with identical planar walls is investigated in the frame of the density functional theory, and it is shown that for a given Ne-substrate pair at a fixed T both the CE and GCE frames yield only one asymmetric 2-fold degenerate stable profile.
Journal ArticleDOI
Strategies to Improve Pore-size Distribution Characterization of Activated Carbons using CO2 and N2 Isotherms: Volume Regularization and Etched Slit Models
Pedro F.G. Silvino,Daniel V. Gonçalves,R. V. Gonçalves,S. M. P. de Lucena,Diana C. S. Azevedo +4 more
TL;DR: In this paper, the pore size distribution of an activated carbon (AC) sample, which is obtained by molecular simulation using a specific probe gas, does not always reproduce the adsorptive behavior of that sample with other gases.
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