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
Adsorption of selected herbicides from aqueous solutions on activated carbon
TL;DR: In this article, the adsorption of MCPA and 2,4-D on the activated carbon Filtrasorb 300 was studied, and the experimental equilibrium data were analyzed by the Langmuir-Freundlich isotherm taking into account the energetic heterogeneity of adsorbing system.
Journal ArticleDOI
Porous structure of natural and modified clinoptilolites.
Piotr Kowalczyk,Myroslav Sprynskyy,Myroslav Sprynskyy,Artur P. Terzyk,Mariya Lebedynets,Jacek Namieśnik,Bogusław Buszewski +6 more
TL;DR: It is concluded that classical static adsorption measurements combined with the proper modeling of the capillary condensation/evaporation phenomena are a powerful method which can be applied for pore structure characterization of natural and modified clinoptilolites.
Journal ArticleDOI
Bifunctional pyrazolate–carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node
TL;DR: In this paper, the ditopic ligands 3,5-dimethyl-pyrazolate-4-carboxylate, Me2pzCO2, 4-(3,5dimethyl pyrazol-4yl)benzoate, and 4-(1H-pzC6H4CO2) combine a pyrazolate and carboxylates functionality in axial orientation, and lead to porous cobalt or zinc azolate-CARBylate frameworks that have the same cubic pcu-a topology and {M4(
Journal ArticleDOI
Absorption properties of a porous organic crystalline apohost formed by a self-assembled bis-urea macrocycle
Mahender B. Dewal,Michael W. Lufaso,Andrew D. Hughes,Stevan A Samuel,Perry J. Pellechia,Linda S. Shimizu +5 more
TL;DR: In this article, the characterization and binding properties of a microporous crystalline host formed by the self assembly of a bis-urea macrocycle 1 have been reported, and the structure of apohost 1 and its inclusion complexes were investigated by powder X-ray diffraction.
Journal ArticleDOI
Synthetic carbons activated with phosphoric acid: II. Porous structure
Alexander M. Puziy,Olga I. Poddubnaya,Amelia Martínez-Alonso,Fabián Suárez-García,Juan M.D. Tascón +4 more
TL;DR: In this paper, synthetic activated carbons were prepared by H3PO4 activation of a chloromethylated and sulfonated copolymer of styrene and divinylbenzene.
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