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This article, the fourth in the series, presents kinetic and photochemical data sheets evaluated by the IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry. It covers the gas phase and photochemical reactions of organic halogen spec ...
A new modelling framework, called μic, has been developed to enable simulations of complex particulate growths, in particular the microstructural evolution of hydrating cement paste. μic has been developed using the vector approach, which preserves the mul ...
In this publication, several stainless steel microstructure reactors specially designed to obtain rapid and periodic temperature changes are presented. Different microstructure reactor designs have been manufactured and tested for their thermal behaviour a ...
State estimation is a necessary component of advanced monitoring and control techniques, since these techniques often require information that is too expensive or impossible to obtain from direct measurements. The objective of estimation is the reconstruct ...
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 ...
A new lower rim substituted calix[8]arene bearing eight phosphine oxide moieties has been synthesized. The structure of 5,11,17,23,29,35,41,47-octa(1,1,3,3-tetramethylbutyl)-49,50,51,52,53,54,55,56-octakis(dimethylphosphinoylmethyleneoxy)calix[8]arene (S) ...
An innovative SiO2-PO43--TiO2 photocatalyst is presented which is able to bond TiO2 to Raschig rings (RR). Evidence for the formation on the catalyst surface of P = O stretching bands near 1200-1250 cm(-1) is presented by FTIR spectroscopy. The TiO2 Deguss ...
Side-chain carboxyl and carbonyl groups play a major role in protein interactions and enzyme catalysis. A series of C-13 relaxation experiments is introduced to study the dynamics of carboxyl and carbonyl groups in protein side chains on both fast (sub-ns) ...
Kinetic hard-modelling of multivariate spectroscopic data [1, 2] is a well-established method for the determination of reaction mechanisms and associated rate constants. Kinetic hard-modelling relies on a hard model defined by kinetic rate laws and require ...
