Application of kinetic investigations for interpretation ofn-hexane and benzene adsorption on active carbon

Differencies between the mechanism ofn-hexane and benzene adsorption on active carbon were investigated on the ground of kinetic measurements. As it has been stated, the kinetic measurements show fundamental differencies between the mechanism of adsorption in spite of analogy existing in the state of adsorption equilibrium. Within the range investigated, only the adsorption ofn-hexane follows the model of volume filling of micropores. Existence of those differencies is also confirmed by measurements of effective diffusion coefficient values as well as changes of activation energy of the diffusion—adsorption process.

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Anwendung kinetischer Untersuchungen zur Interpretation des Adsorptionsverhaltens vonn-Hexan und Benzol an Aktivkohle

Zusammenfassung Mittels kinetischer Messungen untersuchte man die Unterschiede im Mechanismus des Adsorptionsverlaufes vonn-Hexan und Benzol an Aktivkohle. Man stellte fest, daß trotz der Analogie im Adsorptionsgleichgewichtszustand die kinetischen Messungen auf prinzipielle Unterschiede im Adsorptionsmechanismus hinweisen. Im untersuchten Bereich verläuft nur die Adsorption vonn-Hexane nach dem Modell der Mikroporenvolumenausfüllung. Die auftretenden Unterschiede wurden auch durch die Berechnungen der Werte der effektiven Diffusionskoeffizienten sowie Änderungen der Aktivierungsenergie des Diffusions-Adsorptionsprozesses bestätigt.

     

Volumetric properties of the water + ethylenediamine mixture at atmospheric pressure from 288.15 to 353.15 K

Densities of the water + ethylenediamine binary system were measured at atmospheric pressure over the whole range of compositions at temperatures from 288.15 to 353.15 K using an Anton Paar digital vibrating glass tube densimeter. Density increases with water content. The experimental excess molar volume data have been correlated with the Redlich-Kister equation, and partial molar volumes calculated at infinite dilution for each component.     

Subsolidus phase relations and crystal structure of compounds in the PrOx-CaO-CuO system

The subsolidus phase relations of the PrO_x-CaO-CuO pseudo-ternary system sintered at 950-1000°C have been investigated by X-ray powder diffraction. In this system, there exist one compound Ca₁₀Pr₄Cu₂₄O₄₁, one Ca₂Pr₂Cu₅O₁₀-based solid solution, seven three-phase regions and two two-phase regions. The crystal structures of Ca₁₀Pr₄Cu₂₄O₄₁ and Ca₂Pr₂Cu₅O₁₀-based solid solution have been determined. Compound Ca₁₀Pr₄Cu₂₄O₄₁ crystallizes in an orthorhombic cell with space group D_2h²⁰−Cccm, Z=4. Its lattice parameters are a=11.278(2) Å, b=12.448(3) Å and c=27.486(8) Å. The crystal structure of Ca₂Pr₂Cu₅O₁₀-based solid solution is an incommensurate phase based on the orthorhombic NaCuO₂ type subcell. The lattice parameters of the subcell of the Ca_2.4Pr_1.6Cu₅O₁₀ are a₀=2.8246(7) Å, b₀=6.3693(5) Å, c₀=10.679(1) Å, and those of the orthorhombic superstructure are with a=5a₀, b=b₀, c=5c₀. The Ca_2.4Pr_1.6Cu₅O₁₀ structure can also be determined by using a monoclinic supercell with space group C_2h⁵−P2₁/c, Z=4, a=5a₀, b=b₀, and β=104.79(1)° or 136.60(1)°, V=5a₀b₀c₀.     

Monolayer adsorption isotherms and a disordered medium model

A model of disordered medium is proposed to describe the monolayer adsorption isotherm on heterogeneous surfaces. The model is based on the premise that adsorption medium consists of separate regions in each of which there is a permanent local equilibrium constant, the character of the changes of which is determined by the disorder parameter of the medium. __________ Translated from Teoreticheskaya i éksperimental’naya Khimiya, Vol. 42, No. 3, pp. 189–193, May–June, 2006.     

Influence of Cycle Temperatures on the Thermochemical Heat Storage Densities in the Systems Water/Microporous and Water/Mesoporous Adsorbents

The adsorption equilibrium of water on microporous adsorbents (zeolites of NaA-, NaY- and NaX-type as well as their ion exchanged forms) and on mesoporous adsorbents (different silica gels and composite material i.e. silica gel + salt hydrate) has been studied experimentally and theoretically. Using the Dubinin theory of pore filling the characteristic curves of the adsorption systems and other relevant dependences such as isotherms, isobars, isosteres and the curve of the differential heat of adsorption were calculated. For all systems investigated the adsorption were calculated. A_ads and the desorption potential A_des of the closed heat storage system were estimated. These values define the working range of the adsorption/desorption cycle and allow to calculate the specific heat storage density Δ h_sp. On the basis of Δ h_sp the different adsorbents were compared in order to select the optimal porous storage material for a given application. The presented experimental and theoretical investigations show that the adsorption systems water-zeolite and water-composites are promising working pairs for thermochemical heat storage processes for hot tap water supply and space heating of single family dwellings. The advantage of the water-composite system is the low desorption temperature (solar energy) the main shortcoming the low temperature lift. The advantage of the water zeolite system is the high temperature lift, the shortcoming are the relative high desorption temperatures.     

Adsorption of ionic surfactants on polar surfaces with a low content of chemically adsorbed alkyl chains

Colloidal silica and titanium dioxide were surface-modified by chemisorption of octadecyl dimethylmethoxy silane. The surface density of these alkyl silane groups was adjusted to less than 7% of the available surface hydroxyls, leaving the adsorbents hydrophilic and electrically charged in aqueous solution.Ionic surfactants (tetradecylpyridinium chloride and sodium lauryl sulfate) are adsorbed onto the surface-modified silica and titanium dioxide from aqueous solution, even in the case where the surface of the adsorbents exhibits the same sign of electrical charge as the surfactant ionic head groups. According to the adsorption model of Gu the chemiadsorbed alkyl chains are supposed to serve as anchors for small surface aggregates of the ionic surfactants.     

Sorption of binary liquid mixtures on polymer networks Part I. Determination of surface excess isotherms and free energy functions

Two groups of polymer networks (polymer resins) are investigated by selective liquid sorption fromn-propanol-water mixtures. Group 1 consists of gel polymerized polar (hydrophilic) ion exchangers which swell in the binary liquid mixture. Group 2 consists of non-polar, non-swelling, macroporous resins. The free energy isotherms accompanying the sorption processes are calculated from the excess isotherms and the bulk activities. The adsorption excess free energies reveal the differences in polarity of the polymer network.     

Quantitative volatilization of tin as mixed halides and its application in metal analysis

Proposed in this paper is an improved method for removal of tin as the matrix element by volatilization in an anhydrous medium as mixed halides of different composition. Any one of them boils at a lower temperature than SnBr₄. This ternary system enhances the eventual recombination of temporarily dissociated species to volatile ones, thus making the process quicker and more efficient. The presence of 2 mg of Pb(II) suffices to prevent Bi(III) from loss due to volatilization.     

A parallel implementation of the COLUMBUS multireference configuration interaction program

Summary In this work a parallel implementation of the COLUMBUS MRSDCI program system is presented. A coarse grain parallelization approach using message passing via the portable toolkit TCGMSG is used. The program is very well portable and runs on shared memory machines like the Cray Y-MP, Alliant FX/2800 or Convex C2 and on distributed memory machines like the iPSC/860. Further implementations on a network of workstations and on the Intel Touchstone Delta are in progress. Overall, results are quite satisfactory considering the complexity and the prodigious requirements, especially the I/O bandwidth, of MRCI programs in general. For our largest test case we obtain a speedup of a factor of 7.2 on an eight processor Cray Y-MP for that section of the program (hamiltonian matrix times trial vector product) which has been parallelized. The speedup for one complete diagonalization iteration amounts to 5.9. An absolute speed close to 1 GFLOPS is found. Results for the iPSC/860 show that ordinary disk I/O is certainly not sufficient in order to guarantee a satisfactory performance. As a solution for that problem, the implementation of a fully asynchronous distributed-memory model for certain data files is in preparation. On leave from: Bereich Informatik, Universität Leipzig, Augustusplatz 10/11, O-7010 Leipzig, Germany     

From microscopic to macroscopic nuclear collective dynamics

We apply smoothing procedures to response functions for isoscalar vibrations. For collective motion, we find a transition from a structured strength distribution to one corresponding to one incoherent, strongly overdamped mode. It is argued that the latter may be interpreted as macroscopic motion exhibiting, to some extent, features of the hydrodynamical model. We discuss the physical origin of this behaviour, in particular its relation to the disappearance of shell structure.Supported in part by the Deutsche Forschungsgemeinschaft