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
More filters
Book ChapterDOI
Density functional theory model of adsorption on amorphous and microporous solids
TL;DR: In this paper, a quenched solid non-local density functional theory (QSNLDFT) model is proposed for adsorption in amorphous and microporous solid walls.
Journal ArticleDOI
Effect of the pore geometry in the characterization of the pore size distribution of activated carbons
J. P. Toso,José Carlos Alexandre de Oliveira,D. A. Soares Maia,Valeria Cornette,R. H. López,Diana C. S. Azevedo,G. Zgrablich +6 more
TL;DR: Toso, Juan Pablo as mentioned in this paper, et al. Facultad de Cs.fisico Matematicas y Naturales. Universidad Nacional de San Luis.
Journal ArticleDOI
Tailoring of the pore structures of wood pyrolysis chars for potential use in energy storage applications
Przemyslaw Maziarka,Peter Sommersacher,Xia Wang,Norbert Kienzl,Stefan Retschitzegger,Wolter Prins,Niklas Hedin,Frederik Ronsse +7 more
TL;DR: In this paper, beech wood cylinders of two different lengths, with and without pre-treatment with citric acid were pyrolysed at temperatures of 300-900°C and analyzed by gas adsorption.
Journal ArticleDOI
Towards predictive molecular simulations of normal and branched alkane adsorption in carbonaceous engine deposits
TL;DR: In this paper, a model of engine deposits, based on simple slit pore geometry, was developed to characterize these materials and elucidate their interactions with representative components of the fuel at various conditions.
Journal ArticleDOI
N-Doped 3D hierarchical carbon from resorcinol–formaldehyde–melamine resin for high-performance supercapacitors
TL;DR: In this paper, N-doped hierarchical porous carbons (HPCs) with tailored pore structures were fabricated via simultaneously foaming and carbonizing resorcinol-formaldehyde-melamine resin under a hypersaline condition using ZnCl2 salt.
References
More filters
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
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
Géza Horváth,Kunitaro Kawazoe +1 more
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.
Journal ArticleDOI