Revisiting the concept of extents for chemical reaction systems using an enthalpy balance
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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 ...
The concept of reaction invariants is extended to include flow invariants of chemical-reaction systems with inlet and outlet streams. A transformation to normal form is introduced that allows the separation of (1) the evolution of the independent reactions ...
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 ...
The PhD thesis deals with the optimization of the reaction calorimetry technique to monitor chemical reactions in supercritical fluids. The aim is to develop this thermal analysis technique to monitor the heat released by a chemical reaction in a high pres ...
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 ...
This dissertation is concerned with the development of a methodology and appropriate tools for the investigation of chemical reaction systems using measured data. More specifically, the determination of reaction stoichiometry and kinetics from concentratio ...
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 ...
The possibility to increase the performance (productivity or selectivity) of a chemical reactor by using periodic variations of reaction parameters (e.g. reactant concentration or temperature) has been theoretically envisaged since the beginning of the 70t ...
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 ...