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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Utilization of cationic microporous metal-organic framework for efficient Xe/Kr separation
Lingshan Gong,Ying Liu,Junyu Ren,Abdullah M. Al-Enizi,Ayman Nafady,Yingxiang Ye,Zongbi Bao,Shengqian Ma +7 more
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Prediction of the monocomponent adsorption of H2S and mixtures with CO2 and CH4 on activated carbons A Physicochemical and engineering aspects
Daniel V. Gonçalves,Mayara A.G. Paiva,José Carlos Alexandre de Oliveira,Moises Bastos-Neto,Sebastião M. P. Lucena +4 more
TL;DR: In this article, a method based on molecular simulation is proposed to predict H2S adsorption on carbon, which contributes to a better understanding of the role of pore size distribution and adorption regimes in carbon materials.
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Carbon dioxide adsorption through carbon adsorbent structures: Effect of the porosity size, chemical potential and temperature
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