Search results for "Adsorption"
showing 10 items of 1326 documents
The kinetic MC modelling of reversible pattern formation in initial stages of thin metallic film growth on crystalline substrates
2003
Abstract The results of kinetic MC simulations of the reversible pattern formation during the adsorption of mobile metal atoms on crystalline substrates are discussed. Pattern formation, simulated for submonolayer metal coverage, is characterized in terms of the joint correlation functions for a spatial distribution of adsorbed atoms. A wide range of situations, from the almost irreversible to strongly reversible regimes, is simulated. We demonstrate that the patterns obtained are defined by a key dimensionless parameter: the ratio of the mutual attraction energy between atoms to the substrate temperature. Our ab initio calculations for the nearest Ag–Ag adsorbate atom interaction on an MgO…
Cationized albumin-biocoatings for the immobilization of lipid vesicles
2010
Tethered lipid membranes or immobilized lipid vesicles are frequently used as biomimetic systems. In this article, the authors presented a suitable method for efficient immobilization of lipid vesicles onto a broad range of surfaces, enabling analysis by quantitative methods even under rigid, mechanical conditions-bare surfaces such as hydrophilic glass surfaces as well as hydrophobic polymer slides or metal surfaces such as gold. The immobilization of vesicles was based on the electrostatic interaction of zwitterionic or negatively charged lipid vesicles with two types of cationic chemically modified bovine serum albumin (cBSA) blood plasma proteins (cBSA-113 and cBSA-147). Quantitative an…
ZrO2 Acting as a Redox Catalyst
2016
Surface defects are discussed and reviewed with regards to the use of ZrO2 in applications involving interactions with CO, H2, CH4, CO2, water and hydrocarbons. Studies of catalytic partial oxidation of methane reveal that part of the surface lattice oxygen in terraces can be removed by methane at high temperatures (e.g. 900 °C). The reaction proceeds via a surface confined redox mechanism. The studies presented here also highlight that defects play a decisive role in the water–gas-shift reaction, since the reaction is likely carried out via OH groups present at defect sites, which are regenerated by dissociating water. Hydroxyl chemistry on ZrO2 is briefly reviewed related to the studies p…
Metal film growth on regular and defective MgO(001) surface: A comparative ab initio simulation and thermodynamic study
2006
Abstract In order to understand the difference in metallic film growth modes on perfect and defective oxide substrates, we have combined ab initio B3LYP periodic calculations on the slab models of the corresponding Me/MgO(0 0 1) interfaces (Me = Ag, Cu) with thermodynamic theory of solid solutions. For a defectless magnesia surface, we confirm the experimentally observed submonolayer growth of 3D metallic islands (Ag possesses a higher trend than Cu). Formation of Fs centers (neutral O vacancies) on the substrate markedly enhances metal atom adsorption as compared to physisorption over regular sites on a defect-free substrate. For the first time, we predict that the presence of these surfac…
Interlamellar Reactions of Tetracalcium Aluminate Hydrates with Water and Organic Compounds
1967
Tetracalcium aluminate hydrates are the first example of layer-structured crystals containing neutral sheets, which are highly capable of interlamellar adsorption of water and neutral organic compounds. In this respect tetracalcium aluminate hydrates present new aspects of the phenomenon of swelling, and bring about the challenge of comparison with the frequently examined clay-organic compounds. This report is concerned with the probable monolayer structure of tetracalcium aluminate hydrate which forms five hydration stages. A summary concerning configuration and properties of adsorption complexes with approximately 500 selected organic substances follows. As far as these substances are hom…
Use of response factorial design for process optimization of basic dye adsorption onto activated carbon derived from Persea species
2017
Abstract Full factorial design is a powerful and efficient mathematical approach widely applied in the optimization of response. The important parameters which affect the removal efficiency of methylene blue such temperature, initial pH of the solution, concentration and adsorbent dosage were optimized. They coded as A, B, C and D, consecutively, and were investigated at two levels (+ 1 and − 1). A linear mathematical model representing the influence of the different variables and their interactions was obtained. Main effect, Normal probability plot of residuals, analysis of variance (ANOVA), surface plots, and contour plots were used to study the effects and interaction effects between ope…
Water vapour adsorption onto Ca2+ Camp–Berteau montmorillonite and comparison with properties of Na+ sample
2004
Abstract In this paper, we present an analysis of the adsorbed amounts and adsorption heats of water vapour of Ca2+ Camp–Berteau montmorillonite. Measurements were obtained at 298 K using thermogravimetry and calorimetry as a function of relative pressure and the study was completed by the adsorption of nitrogen at 77 K. Experimental data were analysed with BET and t-method theories and compared with those of the Na+ sample. A correlation was shown between models and two domains observed on the calorimetric curves. These domains have been attributed to a multilayer equivalent adsorption. However, the determination of the surface area of clays remains a difficulty. So, the areas of interlaye…
Current trends in affinity-based monoliths in microextraction approaches: A review
2019
Abstract This article reviews the research contributions along the past five years concerning to monolithic materials for the development of affinity-based sorbents in the field of microextraction techniques. The first part of this paper includes an introduction regarding monolithic affinity media and information of different binding agents (such as immunoglobulin-binding proteins, enzymes, lectins, antibodies, aptamers, dyes and immobilized metal ions and nanoparticles, among others) that can act as affinity ligands. Then, the preparation of monoliths and ligand immobilization strategies as well as the different available formats (syringes, pipette tips, spin columns, capillaries, disks an…
Ab initio modeling of copper adhesion on regular BaTiO3(001) surfaces
2005
Ab initio calculations have been performed for copper adsorption on a regular, defect-free TiO"2- and BaO-terminated (001) surfaces of a cubic BaTiO"3, using a posteriori HF-CC method as implemented into the CRYSTAL-03 computer code. To clarify the nature of the interfacial bonding, we use slab models of the Cu/BaTiO"3(001) interfaces with different one-side substrate coverages, varied from 1/8 monolayer (ML) up to 1/2 ML, over both TiO"2- and BaO-terminated surfaces. TiO"2 termination has been found to be energetically more favorable for the adsorption of copper atoms. In agreement with previous experimental and theoretical data, our calculations indicate essential contribution of atomic p…
Capillary Hysteresis in Nanopores: Theoretical and Experimental Studies of Nitrogen Adsorption on MCM-41
1995
Capillary hysteresis in cylindrical nanopores has been studied using MCM-41 as the prime example of a mesoporous material. These materials, due to their regular pore structure, can be considered to be candidates for reference adsorbents for standardizing adsorption measurements and methods for characterization of porous solids. They provide a unique opportunity for verification of theoretical models employed for predicting phase equilibrium in confined geometry. Three samples with monodisperse pore channels have been synthesized and examined using X-ray diffraction (XRD). Nitrogen adsorption isotherms were modeled using nonlocal density functional theory (NLDFT) in a wide range of pore size…