Using grand canonical Monte Carlo simulation we show, for the first time, the influence of the carbon porosity and surface oxidation on the parameters of the Dubinin-Astakhov (DA) adsorption isotherm equation. We conclude that upon carbon surface oxidation, the adsorption decreases for all carbons studied. Moreover, the parameters of the DA model depend on the number of surface oxygen groups. T...

Several negatively charged dyes were investigated for their possible adsorption on the surface of silver and gold colloidal particles. Those dyes that were found to adsorb on the particles were then checked for surface enhancement of Raman scattering. Highly efficient surface-enhanced Raman scattering (SERS) was observed from a carbocyanine dye in both sols. Excitation-dependence studies as wel...

the effect of acid-alkaline treatment of lignocellulosic material (wild carob forest wastes) on ethyl violet adsorption was investigated. it was found that surface chemistry plays an important role in ethyl violet (ev) adsorption. hcl treatment produces more active acidic surface groups such as carboxylic and lactone, resulting in an increase in the adsorption of ev dye. the adsorption efficien...

The adsorption energy of reactant molecules and reaction intermediates is one of the key descriptors of catalytic activity of surfaces and is commonly used as a metric in screening materials for design of heterogeneous catalysts. The efficacy of such screening schemes depends on the accuracy of calculated adsorption energies under reaction conditions. These adsorption energies can depend strong...

In this work, the effects of As-doped on the adsorption of oxygen gas on the outer and inner surface ofboron nitride nanotube (BNNTs) is investigated. The structural parameters, quantum properties involving:bond length, bond angle, HOMO-LUMO orbital, gapenergy, electron affinity, electronegativity, chemicalpotential, global hardness, global softness and NMR parameters of BNNTs are calculated at...

The highly ordered mesoporous silica media, SBA-15, was synthesized and incorporated with iron, aluminum, and zinc oxides using an incipientwetness impregnation technique. Adsorption capacities and kinetics of metal-impregnated SBA-15 were compared with activated alumina which is widely used for arsenic removal. Media impregnated with 10% of aluminum by weight (designated to Al10SBA-15) had 1.9...

Theory of adsorption on a surface with nanolocal defects is proposed. Two efficacy parameters of surface modification for nanotechnological purposes are introduced, where the modification is a creation of nanolocal artificial defects. The first parameter corresponds to applications where it is necessary to increase the concentration of certain particles on the modified surface. And the second o...

An apparatus has been designed and built to measure the adsorption of contaminants on the surfaces of lubricated carbon overcoats such as those used on magnetic data storage media. The device is based on a quartz crystal microbalance housed in a high vacuum chamber and can be used to make rapid measurements of both the amounts and the rates of contaminant adsorption from the gas phase during ex...

The surface heterogeneity of multiwalled carbon nanotubes (MWCNTs) is studied on the basis of adsorption isotherms from dilute aqueous phenol and dopamine solutions at various pH values. The generalized Langmuir-Freundlich (GLF) isotherm equation was applied to investigate the cooperative effect of the surface heterogeneity and the lateral interactions between the adsorbates. The theoretical is...

The understanding of the mechanisms involved in the interaction of proteins with inorganic surfaces is of major interest in both fundamental research and applications such as nanotechnology. However, despite intense research, the mechanisms and the structural determinants of protein/surface interactions are still unclear. We developed a strategy consisting in identifying, in a mixture of hundre...