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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Semiquantitative microscopic pore characterizations of the metamorphic rock reservoir in the central paleo-uplift belt, Songliao Basin
TL;DR: In this article , a combination of qualitative descriptions and quantitative analysis was used to comprehensively analyze the pore characteristics of the metamorphic rock gas reservoir in the central paleo-uplift of the northern Songliao Basin.
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Assessment of density functional approximations for N2 and CO2 physisorption on benzene and graphene
Victor M. Rayon,Iván Cabria +1 more
TL;DR: In this article , double hybrid, hybrid and DFT-based methods are compared with the Steele energy curves of N2 and CO2 on carbon-based porous materials and the results indicate that double hybrid and/or DFT methods are accurate enough for benzene and graphene.
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TL;DR: Results from a combined experimental and molecular level study of phenol adsorption from neutral water solutions in graphitic carbon micropores open the door for the design of better materials for purification of aqueous solutions from nonelectrolyte micropollution.
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Development and characterization of a hybrid mesoporous material infused with metallic oxide nanoparticles for water treatment
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