Quantum Chemical Study of the Interaction of Water Molecules with a Partially Oxidized Graphite Surface

Quantum chemical (MNDO-PM3) and molecular mechanical calculations are presented for some models describing the interaction of water molecules with hydrophilic adsorption centres on the initial and oxidized basal surface of graphitized carbon black particles. The fact that the calculation results are in reasonable agreement with available experimental data indicates the capability of the methods used to describe the properties of such adsorption systems

Non-Specific Adsorption of Hydrocarbons on Microporous Surfaces: A Comprehensive Molecular-Statistical/Chromatographic Approach

The results are presented of a series of investigations concerning the application of the molecular-statistical approach to the calculation of thermodynamic quantities for the adsorption of molecules in the Henry region on adsorbent surfaces possessing certain surface symmetry properties, and in particular for systems characterized by dispersion and polarization attraction and short-range atom-atom repulsion. Computational methods have been developed and the results for particular adsorption systems are presented with emphasis on the adsorption properties of layer silicates. Good correspondence between the calculated results and chromatographic data for a number of adsorbents strongly supports the view that the combination of chromatographic and molecular-statistical methods provides a powerful tool for the investigation of the structural and adsorption-selective characteristics of surface-porous adsorbents

Notes to the fauna and distribution of assassin bugs (Heteroptera: Reduviidae) of Voronezh Region (Russia)

Five species of assassin bugs (Heteroptera: Reduviidae) are identified on the territory of Voronezh Region (Russia). Reduvius personatus (Linnaeus, 1758) is recorded for the region for the first time. Data on the studied material and distribution for each species are given

Interaction of Water and other Polar Substances with Hydrophilic Centres on the Surface of Hydrophobic Adsorbents

The adsorption of water and other polar substances on to the surface of graphitized carbon black and macroporous silica modified by polymethylhydride silicone has been studied using gas chromatography. The adsorption heat values of the substances studied were determined and the concentration of surface hydrophilic centres estimated. Conclusions have been drawn concerning the number of water molecules adsorbed on to hydrophilic centres at low surface occupation values. In the case of water adsorption on the graphitized carbon black surface, the chromatographic data for the adsorption heat have been compared with the energy of water molecule interaction with the surface clusters modelling the micropores existing on the basal surface of carbon black particles as calculated using quantum chemical methods

Study of the Structure of a Surface-porous Adsorbent using the Gas Chromatographic Version of the Molecular Probe method

Results are presented of structural studies of a silica-based surface-porous adsorbent. It is shown that a reliable estimate of the size of the surface micropores of this adsorbent can be obtained using the gas chromatographic version of the molecular probe method. This is based on a comparison of the thermodynamic properties for the adsorption of substances of known molecular size on the surface-porous adsorbent with those characteristic for the adsorption of the same substances on to a non-porous adsorbent of a similar chemical nature

Thermodynamics and Kinetics of Mixed Protein/Surfactant Adsorption Layers at Liquid Interfaces

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