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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...

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Journal ArticleDOI

Preparation of carbon molecular sieves by carbon deposition from methane.

TL;DR: To prepare carbon molecular sieves (CMSs), methane was pyrolyzed in an attempt to deposit fine carbon particles on the micropore mouths of the carbon substrates being heated; thecarbon substrates included grain-based activated Carbons and commercial activated carbons.
Journal ArticleDOI

Effect of the zeolite crystal size on the structure and properties of carbon replicas made by a nanocasting process

TL;DR: In this paper, carbon replicas with size of 0.1, 0.5 and 1μm were employed as molds for the synthesis of microporous carbon, and the experimental data revealed that the carbon replica molds faithfully replicate the zeolite morphology and possess higher micropore volume than that of the parent molds.
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Characterization of single wall carbon nanotubes by nonane preadsorption

TL;DR: The preferential blocking of the interior adsorption sites of single walled carbon nanotubes (SWNTs) by n -nonane is demonstrated in this paper, showing that interior sites with diameters less than ∼14 A remained filled with n-nonane, blocking the physical adaption of N 2 on these sites at 77.3 K.
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Tests of Pore-Size Distributions Deduced from Inversion of Simulated and Real Adsorption Data

TL;DR: In this article, the pore size distributions for a series of model and experimental materials were determined by inverting the adsorption integral equation, with the goal of probing the ability of the inversion procedure to reproduce faithfully the input pore sizes distribution and ascertain the reality of anomalous gaps often deduced in the literature.
References
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Journal ArticleDOI

Equation of State for Nonattracting Rigid Spheres

TL;DR: In this paper, a new equation of state for rigid spheres has been developed from an analysis of the reduced virial series, which possesses superior ability to describe rigid-sphere behavior compared with existing equations.
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Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids

TL;DR: In this paper, the Fourier transform of the pair correlation function is used to calculate the structure factor of a reference system in which the intermolecular forces are entirely repulsive and identical to the repulsive forces in a Lennard-Jones fluid.
Journal ArticleDOI

Analysis of discrete ill-posed problems by means of the L-curve

Per Christian Hansen
- 01 Dec 1992 - 
TL;DR: The main purpose of this paper is to advocate the use of the graph associated with Tikhonov regularization in the numerical treatment of discrete ill-posed problems, and to demonstrate several important relations between regularized solutions and the graph.
Journal ArticleDOI

Method for the calculation of effective pore size distribution in molecular sieve carbon

TL;DR: In this paper, a method for the calculation of effective pore size distribution from adsorption isotherms in molecular-sieve carbon is described, which is more exact theoretically as well as practically than previously described methods.
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