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Aim of this diploma thesis is to approach to kinetic modelling of subsurface hydrochemistry with the program code phreeqc. The reaction considered is the degradation of organic mass and its concomitant reactions. Phreeqc is a program for thermodynamical ba ...
Bacterial reduction of arsenic(V) and iron(III) oxides influences the redox cycling and partitioning of arsenic (As) between solid and aqueous phases in sediment-porewater systems. Two types of anaerobic bacterial incubations were designed to probe the rel ...
Density functional theory was employed to investigate atomic layer deposition (ALD) mechanism of zirconia on Si(100)-2 X 1 surface with single and double hydroxyl groups. The ZrO2 ALD process using ZrCl4 and H2O as precursors involves two alternate deposit ...
A temperature programmed treatment of MoO3 in flowing N-2 + H-2 has been employed to prepare beta-phase molybdenum nitride (beta-Mo2N) which has been used to promote, for the first time, the catalytic hydrogenation of p-chloronitrobenzene. The reduction/ni ...
In this study, the application of reaction calorimetry, an efficient tool to obtain kinetic and safety data, is presented on the free radical dispersion polymn. of MMA in scCO2. The effect of three major parameters with respect to the reaction evolution ar ...
Process intensification is a vibrating topic in the field of chemical engineering. Its aim is to develop processes and methods with increased performance for a given chemical transformation at decreased energy consumption and waste production. Among all me ...
The thermochem. of the RuO42- + MnO4- RuO4- + MnO42- redox reaction in aq. soln. is studied by sep. d.-functional-based ab initio mol.-dynamics simulations of the component half reactions RuO42- -> RuO4- + e- and MnO42- -> MnO4- + e-. We compare the result ...
The reaction of [(η6-p-cymene)RuCl2]2 with some bis(phosphane) ligands (dppm, dppe, dppv, dppa, dpp14b, dppf) has been investigated. In general mixtures of products were obtained, although the pendant phosphane complexes [( ...
A review describes the monitoring techniques applied to polymn. reactions in supercrit. fluids. Different available techniques, as well as the coupling of anal. and calorimetric measurements. This kind of coupling could be one soln. to the problem of simul ...
Enhanced activity, lower catalyst loading, shorter reaction time, and expanded substrate scope are the advantages of [Mn(dpm)3] over Co catalysts in the hydrohydrazination reaction of alkenes. Thus, sterically hindered alkenes, including tetrasubstituted a ...
