The adsorption of toluene (TOL) as a target volatile organic compound has been studied experimentally and modelled on various hydrophobic zeolites: Faujasite (FAU), ZSM-5 (Z) and Mordenite (MOR). The influence of the nature of the compensating cation (H+ or Na+) has also been investigated for ZSM-5 zeolite, which is known to possess three kinds of adsorption sites (sinusoidal channels, straight channels and intersections). Type I isotherms observed on FAU, Na-Z and MOR fitted well with the Langmuir model. A deviation from a type I isotherm was observed for H-Z, because of the structure of this zeolite. The Successive Langmuir Model was more successful to fit the 'bump' of the experimental curve than the Double Langmuir. Classical shapes were found for MOR, FAU and Na-Z breakthrough curves that were fitted with good accuracy using the Linear Driving Force (LDF) approximation. In the case of H-Z, a change of profile was observed during the dynamic adsorption and the differences seen between the Na-Z and H-Z behaviours were explained by the strong interactions between Na+ and adsorbed TOL at the intersection sites. The Na+ cations prevented reorientation of TOL molecules at the intersection and thereby avoided the filling of the sinusoidal channel segments. Thus, a specific model was developed for fitting the breakthrough curve of H-Z. The model developed took into account these two types of adsorption sites with the overall uptake for each site being given by an LDF approximation.
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http://dx.doi.org/10.1080/09593330.2015.1012181 | DOI Listing |
J Chem Theory Comput
November 2023
Institute of Physical Chemistry, University of Göttingen, Tammannstrasse 6, 37077 Göttingen, Germany.
The simulation of nuclear quantum effects (NQEs) is crucial for an accurate description of systems and processes involving light nuclei, such as hydrogen atoms. Within the last years, the importance of those effects has been highlighted for a vast range of systems with tremendous implications in chemistry, biology, physics, and materials sciences. However, while electronic structure theory methods have become routine tools for quantum chemical investigations, there is still a lack of approaches to address NQEs that are computationally accessible and straightforward to use.
View Article and Find Full Text PDFMaterials (Basel)
February 2023
Department of Chemical Engineering Materials & Environment, Sapienza University of Rome, Via Eudossiana, 18, 00184 Rome, Italy.
Phytoremediation of arsenic-contaminated water was successfully conducted by means of the perennial fern , which is an arsenic-hyperaccumulator plant able to grow in hydroponic cultures. In order to avoid the costs linked to the disposal of As-contaminated biomass, in this work, waste roots were tested as a low-cost bio-adsorbent for the removal of methylene blue (MB) from water in a fixed-bed adsorption configuration. As a matter of fact, methylene blue can negatively impact the growth and health of algae and plants by blocking light from reaching them in water, which can alter their normal biological processes.
View Article and Find Full Text PDFBackground And Aims: No consensus criteria or approaches exist regarding assessment of steatosis in the setting of human donor liver suitability for transplantation. The Banff Working Group on Liver Allograft Pathology undertook a study to determine the consistency with which steatosis is assessed and reported in frozen sections of potential donor livers.
Approach And Results: A panel of 59 pathologists from 16 countries completed a questionnaire covering criteria used to assess steatosis in donor liver biopsies, including droplet size and magnification used; subsequently, steatosis severity was assessed in 18 whole slide images of donor liver frozen sections (n = 59).
J Chromatogr A
October 2020
Department of Chemical Engineering, University of Virginia, Charlottesville, VA, USA. Electronic address:
Modeling the chromatographic separations of proteins at manufacturing scale is important since downstream processing costs are often dominant. At such scales, the columns are highly overloaded heightening the challenge of predicting performance. In this work, the separation of a monoclonal antibody monomer-dimer mixture is conducted by gradient elution chromatography with ceramic hydroxyapatite (CHT) columns Type I and Type II under overloaded conditions.
View Article and Find Full Text PDFSoft Matter
November 2019
Centro Atómico Bariloche, Instituto Balseiro, Comisión Nacional de Energía Atómica, CNEA, CONICET, UNCUYO, Av. E. Bustillo 9500 (R8402AGP), San Carlos de Bariloche Río Negro, Argentina.
We analyze the behavior of different elastoplastic models approaching the yielding transition. We propose two kinds of rules for the local yielding events: yielding occurs above the local threshold either at a constant rate or with a rate that increases as the square root of the stress excess. We establish a family of "static" universal critical exponents which do not depend on this dynamic detail of the model rules: in particular, the exponents for the avalanche size distribution P(S) ∼Sf(S/L) and the exponents describing the density of sites at the verge of yielding, which we find to be of the form P(x) ≃P(0) + x with P(0) ∼L controlling the extremal statistics.
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