Ab-initio density functional study of O on the Ag(001) surface

The adsorption of oxygen on the Ag(001) is investigated by means of density functional techniques. Starting from a characterization of the clean silver surfaces oxygen adsorption in several modifications (molecularly, on-surface, sub-surface, Ag$_2$O) for varying coverage was studied. Besides structural parameters and adsorption energies also work-function changes, vibrational frequencies and core level energies were calculated for a better characterization of the adsorption structures and an easier comparison to the rich experimental data.Comment: 26 pages, 8 figures, Surf. Sci. accepte

Assessment of <i>Miscanthus</i> × <i>giganteus</i> derived biochar as copper and zinc adsorbent:study of the effect of pyrolysis temperature, pH and hydrogen peroxide modification

In this work, experimental and modelling investigations were conducted on biochars pyrolyzed at 350 °C and 600 °C, to determine the effect of pyrolysis temperature, hydrogen peroxide activation and pH on copper and zinc removal, in comparison with commercially available activated carbons. Characterization of biochars was performed by BET surface area, elemental analysis and FTIR spectroscopy. Experiments results demonstrated that biochar pyrolyzed at 600 °C adsorbed both copper and zinc more efficiently than biochar pyrolyzed at 350 °C. Chemical activation by H2O2 increased the removal capacity of biochar pyrolyzed at 350 °C. All investigated biochars showed a stronger affinity for copper retention, with a maximum adsorption capacity of 15.7 mg/g while zinc was 10.4 mg/g. The best adsorption performances were obtained at pH 5 and 6. Langmuir adsorption isotherm described copper adsorption process satisfactorily, while zinc adsorption was better described by Freundlich isotherm

Simple model of adsorption on external surface of carbon nanotubes: a new analytical approach basing on molecular simulation data

Nitrogen adsorption on carbon nanotubes is wide- ly studied because nitrogen adsorption isotherm measurement is a standard method applied for porosity characterization. A further reason is that carbon nanotubes are potential adsorbents for separation of nitrogen from oxygen in air. The study presented here describes the results of GCMC simulations of nitrogen (three site model) adsorption on single and multi walled closed nanotubes. The results obtained are described by a new adsorption isotherm model proposed in this study. The model can be treated as the tube analogue of the GAB isotherm taking into account the lateral adsorbate-adsorbate interactions. We show that the model describes the simulated data satisfactorily. Next this new approach is applied for a description of experimental data measured on different commercially available (and characterized using HRTEM) carbon nanotubes. We show that generally a quite good fit is observed and therefore it is suggested that the observed mechanism of adsorption in the studied materials is mainly determined by adsorption on tubes separated at large distances, so the tubes behave almost independently

Interaction of hydrogen chloride with alumina

The influence of temperature, pressure, and outgas conditions on the absorption of hydrogen chloride and water vapor on both alpha and gamma alumina was studied. Characterization of the adsorbents was performed using X-ray powder diffraction, scanning electron microscopy (SEM), low temperature nitrogen adsorption desorption measurements, BET nitrogen surface area measurements and electron spectroscopy for chemical analysis (ESCA). Water vapor adsorption isotherms at 30, 40, and 50 C were measured on alpha and gamma alumina after outgassing at 80, 200, and 400 C. Both outgas temperature and adsorption temperature influenced the adsorption of water vapor on the aluminas. The water vapor adsorption was completely reversible. Alpha alumina absorbed more water per unit area than gamma alumina. Differences in the adsorption capacity for water vapor of the two aluminas were explained on the basis of ideal surface models of alpha and gamma alumina. Isosteric heats of adsorption for water vapor on the aluminas were determined over a limited range of surface coverage

Viking Biology Experiments and the Martian soil

The Viking Biology Experiments (VBE) are the most informative database on the wet chemistry and reactivity of the Martian soil available today. The simulation and chemical interpretation of the results have given valuable hints towards the characterization of the soils' mineralogy, adsorption properties, pH and redox. The characterization of Mars' soil on the basis of ten years of labelled release (LR) and other VBE simulations are reviewed

The feasibility of radiolabeling for human serum albumin (HSA) adsorption studies

Human serum albumin (HSA) was labeled in various ways and with different radioactive labels (Technetium-99m and Iodine-125). Characterization with electrophoresis on polyacryl gel and immunoelectrophoresis did not reveal differences between labeled and nonlabeled HSA. The release of the label from labeled proteins in phosphate buffer (pH 7.4) was studied as a function of time. 125I-labeled proteins were stable and 99mTc-labeled proteins showed different stabilities depending on the labeling method which was used. The adsorption behavior of labeled HSA and HSA onto polystyrene (PS) and silicon rubber (SR) was studied by using two methods. It appeared that all labeled HSA compounds showed a preferential adsorption onto PS (and SR) substrates. The 99mTc-labeled HSA showed a high value of the preferential adsorption factor (φ 1). The φ value for 125I-labeled HSA was about 1.4. It was also shown that φ was dependent on the kind of substrate used. The methods developed to determine preferential adsorption of labeled proteins compared to their nonlabeled analogs are also generally applicable for different types of compounds

Adsorption of arsenate on Fe-(hydr)oxide

Adsorption using metal oxide materials has been demonstrated to be an effective technique to remove hazardous materials from water, due to its easy operation, low cost, and high efficiency. The high number of oxyanions in aquatic ecosystems causes serious pollution problems. Removal of arsenate (H2AsO4 -), is one of the major concerns, since it is a highly toxic anion for life. Within the metal oxides, the iron oxide is considered as a suitable material for the elimination of oxyanions. The adsorption of H2AsO4 - on Fe-(hydr)oxide is through the formation of inner or outer sphere complexes. In this work, through computational methods, a complete characterization of the adsorbed surface complexes was performed. Three different pH conditions were simulated (acidic, intermediate and basic), and it was found that, the thermodynamic favourability of the different adsorbed complexes was directly related to the pH. Monodentate complex (MM1) was the most thermodynamically favourable complex with an adsorption energy of -96.0kJ/mol under intermediate pH conditions. © Published under licence by IOP Publishing Ltd

A critical assessment of the calculation and analysis of thermodynamic parameters from adsorption data

Proper analysis of thermodynamic parameters obtained from adsorption data is a basic requirement for the characterization and optimization of an adsorption-dependent process like the action of organic corrosion inhibitors. Thus, this work aims at presenting a critical assessment of typical flawed examples from the literature together with alternative good practice to be considered, for preference.Proper analysis of thermodynamic parameters obtained from adsorption data is a basic requirement for the characterization and optimization of an adsorption-dependent process like the action of organic corrosion inhibitors. Thus, this work aims at presenting a critical assessment of typical flawed examples from the literature together with alternative good practice to be considered, for preference

Preparation and characterisation of irradiated waste eggshells as oil adsorbent

Adsorption method had been developed by using natural organic adsorbent for the removal of oil because of its ability to bind the oil molecules into the surface of adsorbent. In this study, chicken eggshells waste was used and it undergoes irradiation process with four different amount of dose which was 0.5 kGy, 1.0 kGy, 1.5 kGy, and 2.0 kGy by using Gamma Cell Irradiator. Three equipment had been used for the characterization process which were the Scanning Electron Microscope (SEM), Energy Dispersive X-ray spectroscopy (EDX), and Fourier-Transform Infrared Spectroscopy (FTIR). The adsorption experiment was conducted to calculate the sorption efficiency by using different mass of samples. The result showed that irradiated chicken eggshells powder with 2.0 kGy amount of radiation dose has a best performance as oil adsorbent

The Efect of Calcination Temperature on Toxin Adsorption Materials for Diarrheal Diseases

The synthesis and characterization of kaolin as a toxin adsorption material for diarrheal diseases has been performed. Adsorption ability is one important factor in determining the effectiveness of the adsorbent. Each adsorbent has different strengths depending on the adsorption capacity of each. The kaolin has been calcined at 400 °C, 600 °C, and 800 °C. The purpose of this study was to examine the changing character of the kaolin after calcination on the adsorption capacity. The characterization of samples includes the analysis phase, density test, porosity test, and the adsorption test of metal timbale as a medium toxin. We concluded that the kaolin has the highest adsorption capability level is a kaolin has been calcined at 400 °C with characteristic are kaolinite phase containing, degree of crystallinity of 76.59 %, has a density of 2.6275 g/ mL, the optimum porosity of 75 %, and the adsorption capacity of lead metal of 99.7325 %. The adsorption capacity of kaolin have been calcined at 400 °C is much better than the kaolin without calcinations and expected to be more effectively used to cure diarrhea