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
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Deformation of Microporous Carbon during Adsorption of Nitrogen, Argon, Carbon Dioxide, and Water Studied by in Situ Dilatometry
TL;DR: For the first time, the existence of two nonmonotonic stages of subsequent contraction and expansion in the regions of micropore and mesopore filling are demonstrated with the N2 strain isotherm.
Journal ArticleDOI
Structural Defects Induced in ETS-10 by Postsynthesis Treatment with H2O2 Solution
TL;DR: In this article, post-synthesis treatments with hydrogen peroxide were used to introduce different levels of defects in the ETS-10 structure, and the number of defects induced was dependent on the concentration of H2O2 and exposition time.
Journal ArticleDOI
Multifunctional MoSe2@rGO coating on the cathode versus the separator as an efficient polysulfide barrier for high-performance lithium-sulfur battery
TL;DR: In this article, a two-dimensional MoSe2 and reduced graphene oxide (rGO)-coated cathode was used as a multifunctional barrier to suppress polysulfide shuttling.
Journal ArticleDOI
Using DFT analysis of adsorption data of multiple gases including H2 for the comprehensive characterization of microporous carbons
TL;DR: In this article, a series of activated carbons, representing various pore size distributions (PSD) was calculated by simultaneous fitting of the DFT model isotherms to their experimental counterparts.
Journal ArticleDOI
Comparison of heterogeneous pore models QSDFT and 2D-NLDFT and computer programs ASiQwin and SAIEUS for calculation of pore size distribution
TL;DR: In this paper, the pore size distributions of selected carbons were calculated from their nitrogen adsorption isotherms using both the QSDFT model implemented in ASiQwin version 3.0 software (Quantachrome Instruments) and 2D-NLDFT models implemented in SAIEUS software (Micromeritics).
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Method for the calculation of effective pore size distribution in molecular sieve carbon
Géza Horváth,Kunitaro Kawazoe +1 more
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