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A novel low pressure pulse-response technique, referred to as Multitrack, was applied for the simultaneous determination of the adsorption and diffusion parameters of gases in porous materials in a packed bed. Measurements were performed on two different carbons, Kureha and Sorbonorit B3, in the temperature range between 473 and 700 K. The modelling procedure of the pulse responses consisted of two...
Ab initio molecular orbital (MO) calculations are performed to study the adsorption of H atoms on three faces of graphite: (0001) basal plane, (1010) zigzag edge and (1121) armchair edge. The relative energies of adsorption (or C-H bond energies) follow the order: zigzag edge>armchair edge>basal-plane edge, in agreement with previous semi-empirical MO results. However, it is found that adsorption...
Strategies for developing quantitative structure-affinity relationships (QSAfR) for the prediction of break-through performance of 31 chlorinated hydrocarbons on activated carbon have been studied. Two different approaches for the selection of a limited set of compounds for modelling were evaluated through the predictive power of the resulting QSAfR models. When the model was based on a training-set...
Interactions between a water molecule and one- and two-layer graphite were calculated by ab initio Hartree-Fock (HF) method. Eclipsed coronene dimer (C 24 H 12 ) 2 was used as the two-layer graphite model, to study the behavior of a water molecule in the pressure between two graphite layers. Three one-layer models, C 16 H 10 , C 4 ...
Methods to describe and predict adsorption equilibrium using the D-R equation are presented in this paper. We focus on adsorption of organic-water vapor binary mixtures on BPL activated carbon. By adjusting the partial pressure of the organic component in the binary mixture, the effects of the presence of water vapor on adsorption of the organic component are quantitatively expressed using one term...
Investigations were conducted in the batch mode for studying the adsorption behavior of resorcinol and catechol on granular activated carbon from a basic salt medium (BSM) at pH~7.1 and temperature~30 o C. The isotherm data were correlated with six isotherm models, namely Langmuir, Freundlich, Redlich-Peterson, Radke-Prausnitz, Toth, and Fritz-Schlunder's using a nonlinear regression technique...
The density functional theory (DFT) has been used to simultaneously investigate physi-/chemi-sorption properties of hydrogen on the (10,0) single-walled carbon nanotube (SWCNT) walls. Physisorption of H 2 outside the CNT with a vertical orientation to the tube axis above the center of a hexagon surface is the most stable state of physisorption and its binding energy is very weak, -0.792 kcal/mol...
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