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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

Prediction of high-pressure adsorption equilibrium of supercritical gases using density functional theory.

TL;DR: The pore network connectivity problem occurring in the examined carbons is discussed, and it is suggested that this is largely related to the disordered nature of the carbon.
Journal ArticleDOI

Selection of Shale Preparation Protocol and Outgas Procedures for Applications in Low-Pressure Analysis

TL;DR: In this paper, the low pressure gas adsorption (LPGA) method for estimation of pore capacities, pore size distributions, and total surface area was selected as an effective technique in pore characterization.
Journal ArticleDOI

Steady-state investigation of water vapor adsorption for thermally driven adsorption based greenhouse air-conditioning system

TL;DR: In this paper, water vapor adsorption onto silica-gel, activated carbon powder (ACP) and activated carbon fiber (ACF) has been experimentally measured at 20, 30 and 50°C using a volumetric method-based measurement apparatus for greenhouse air-conditioning.
Journal ArticleDOI

Micropore size distributions of activated carbons and carbon molecular sieves assessed by high-pressure methane and carbon dioxide Adsorption isotherms

TL;DR: In this article, the shape of the isotherms is very different, which is due in part to differences in the overall micropore volume but, additionally, to the significant difference in the size distribution of those samples.
Journal ArticleDOI

Nanoparticle Route for the Preparation in Aqueous Medium of Mesoporous TiO2 with Controlled Porosity and Crystalline Framework

TL;DR: Mesoporous TiO2 with tunable pore size and mono-, bi-, and tricrystalline frameworks was prepared from titania nanoparticles synthesized by a sol−gel method as mentioned in this paper.
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.
Journal ArticleDOI

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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