Nanocalorimetric platform for accurate thermochemical studies in microliter volumes
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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 ...
The polycondensation of bis(ethylene glycol) terephthalate to poly(ethylene terephthalate) was investigated by thermogravimetric measurements at 260-300 Deg. A model is developed which enables to ext. the apparent kinetic parameters from the measured mass ...
Industry requires continuously new chemical processes to convert raw materials to valuable products limiting the formation of by-products. Since a few years, an increasing interest has been given to the intensification of chemical processes. This represent ...
Reaction calorimetry is an efficient tool used to obtain kinetic, thermodn. and safety data. A reaction calorimeter, RC1e-HP350, developed in collaboration with Mettler-Toledo GmbH, allows investigating chem. reactions under supercrit. conditions. The main ...
Following several tragic chemical accidents that have occurred in recent years, some directives concerning chemical process safety have been issued. The Seveso directive, for example, requires a precise description of the consequences of a possible chemica ...
Below -60 and without catalyst, 1.2-dimethylidenecyclopentane (16), 1,2-dimethylidenecyclohexane (13), 1,2-dimethylidenecycloheptane (17), and 1,2-dimethylidenecyclooctane (18) add to sulfur dioxide in the hetero-Diels-Alder mode, giving the corresponding ...
Chem. mechanisms are used in 3D air quality models as well as for modeling lab. expts. Depending on the application the required detailedness of the mechanism differs. The mechanism generation program CHEMATA (Chem. Mechanism Adaptation to Tropospheric App ...
A kinetic model for solid-state polycondensation of nylon-6 was developed by extrapolation of the melt chemistry to the amorphous phase of the solid polymer. In this way, a phenomenological description of the process was obtained that required examining al ...
Reactions of X2 (X = Br, I), P4 and Ag(CH2Cl2)[Al(OR)4] [R = C(CF3)3] in suitable ratios to prep. naked polyphosphorus cations were carried out and led to products which suggested these elusive cations as intermediates. At temps. >-30 Deg to rt the initial ...