Incremental Model Identification of Reaction Systems
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The kinetics of chlorination of several phenolic compounds and the corresponding formation of chloroform were investigated at room temperature. For the chlorination of phenolic compounds, second-order kinetics was observed, first-order in chlorine, and fir ...
The gasification reaction of fir charcoal with CO2 was studied by isothermal thermogravimetric analysis under kinetic control. The derived reaction rate (r = dX/dt) as a function of the converted carbon mass (X) was compared with random pore model predicti ...
We have investigated different possible mechanisms for the cis-trans isomerization in triply bonded ditungsten complexes with stoichiometry W2Cl4(NHEt)2(PMe3)2 using static d. functional calcns. as well as Car-Parrinello simulations. Our studies reveal an ...
One-step hydroxylation of benzene to phenol by N2O has been performed over structured catalytic beds made of ZSM-5 coatings on stainless steel grids. The catalysts demonstrated high activity with a selectivity toward phenol formation of 98%. A detailed kin ...
This thesis deals with a laboratory study of heterogeneous reactions involving bromine and chlorine containing reservoir species on alkali salt substrates which are relevant to the marine boundary layer, and on ice substrates which are relevant to the lowe ...
A quant. structure-reactivity relationship for the Michael-type addn. of thiols onto acrylates was detd. Several thiol-contg. peptides were investigated by examg. the correlation between the second-order rate const. of their addn. onto PEG-diacrylate and t ...
This article presents recent work investigating the unimolecular dissociation rates of quantum state-selected molecules. Such studies provide the most stringent test for quantitative models of unimolecular reactions and their assumptions. After briefly rev ...