The [3+2] cycloaddition of diphenyldiazomethane and ethyl diazoacetate with itaconic anhydride. A new access to spiranic cyclopropane derivatives
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Identification of kinetic models is an important task for monitoring, control and optimization of industrial processes. Kinetic models are often based on first principles, which describe the evolution of the states – numbers of moles, temperature and volum ...
Extent-based kinetic identification is a kinetic modeling technique that uses concentrations measurements to compute extents and identify reaction kinetics by the integral method of parameter estimation. This article considers the case where spectroscopic ...
Abstract of the conference paper The kinetic identification of chemical reaction systems often represents a time-consuming and complex task. This contribution presents an approach that uses rate estimation and feedback linearization to implement ...
The mechanism of reaction between NO and two models of carbonaceous materials with active sites was investigated at the UB3LYP/6-31 + G(d) and UM06-2X theory levels. The small model is the anthracene radical and the large one is also a monoradical built wi ...
The identification of reaction kinetics involves the determination of a model structure (reaction stoichiometry, rate laws for all reactions) and its corresponding parameters from experimental data. An incremental identification approach for determining th ...
The characterization of Fe/ZSM5 zeolite materials, the nature of Fe-sites active in N2O direct decomposition, as well as the rate limiting step are still a matter of debate. The mechanism of N2O decomposition on the binuclear oxo-hydroxo bridged extraframe ...
N,N-Dimethylsulfamide (DMS), a newly identified, ubiquitous degradation product of the fungicide tolylfluanide, has been shown to be a N-nitrosodimethylamine (NDMA) precursor during zonation. In this study, batch ozonation experiments in ultrapure buffered ...
The Diels-Alder reaction has been examd. in room temp. ionic liqs. with high molar concns. of Lewis acids under various conditions. A molar ratio of 10% catalyst gave a large increase in the selectivity and the yield of the reaction. The effect of catalyst ...
Room temperature ionic liquids comprise an unique class of solvent composed of organic and inorganic-based ions that are molten under ambient conditions. They are characterised by high solvent polarity and low vapour pressure, and can be tailored to have s ...
The present thesis work deals with the investigation of the heterogeneous reactions involving nitrate radical (NO3), dinitrogen pentoxide (N2O5) and ozone (O3) on surrogates of atmospheric mineral dust particles characteristic of the troposphere. An additi ...