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
Journal ArticleDOI
Toward solving the unstable linear Fredholm equation of the first kind: A new procedure called the adsorption stochastic algorithm (ASA) and its properties
TL;DR: In this article, an adaption stochastic algorithm (ASA) for solving the unstable linear Fredholm integral equation of the first kind is proposed, and some procedures of estimating the relative minimum in one dimension are tested.
Journal ArticleDOI
Super-sieving effect in phenol adsorption from aqueous solutions on nanoporous carbon beads
Piotr Kowalczyk,Artur P. Deditius,Wendell P. Ela,Marek Wiśniewski,Piotr A. Gauden,Artur P. Terzyk,Sylwester Furmaniak,Jerzy Włoch,Katsumi Kaneko,Alexander V. Neimark +9 more
TL;DR: In this paper, the role of hydrophobic interactions in narrow carbon micropores in removal and clean-up of water from organic pollutants is elucidated, based on the Monte Carlo simulation of phenol adsorption with the relevance to the pore size distribution function determined by the density functional theory.
Journal ArticleDOI
A pore network model for diffusion in nanoporous carbons: Validation by molecular dynamics simulation
TL;DR: In this paper, a hybrid molecular dynamics simulation/pore network model (MD/PNM) approach is developed for predicting diffusion in nanoporous carbons, which is computationally fast and related to the structure of the real material.
Patent
Electric double layer capacitance device
Aaron M. Feaver,Guozhong Cao +1 more
TL;DR: In this paper, a tunable pore structure for electric double layer capacitance (EDLC) devices with activated carbon cryogel has been proposed, where the surface area is at least 1500 m2/g as determined by nitrogen sorption at 77K and BET analysis.
Journal ArticleDOI
Studies on properties of rayon- and polyacrylonitrile-based graphite felt electrodes affecting Fe/Cr redox flow battery performance
TL;DR: In this paper, the performances of rayon (RGF) and polyacrylonitrile (PGF) based graphite felts as electrodes are compared in the iron-chromium redox flow battery (ICRFB).
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