Concept
On the Equilibrium of Heterogeneous Substances
Publications associées (6)
Micropollutant Oxidation Studied by Quantum Chemical Computations: Methodology and Applications to Thermodynamics, Kinetics, and Reaction Mechanisms
Urs von Gunten, Minju Lee, Peter Rudolf Tentscher
The abatement of organic micropollutants during oxidation processes has become an emerging issue for various urban water systems such as drinking water, wastewater, and water reuse. Reaction kinetics and mechanisms play an important role in terms of effici ...
AMER CHEMICAL SOC2019Quantum chemical studies of reactive species in water
In this thesis, quantum chemical methods have been applied to elucidate the thermodynamics and the kinetics of reactions involving reactive species in water. Due to their high reactivity in water, many transient species are difficult to study by experiment ...
EPFL2016Vibrationally Promoted Dissociation of Water on Ni(111)
Rainer Beck, Phil Morten Hundt
Water dissociation on transition-metal catalysts is an important step in steam reforming and the water-gas shift reaction. To probe the effect of translational and vibrational activation on this important heterogeneous reaction, we performed state-resolved ...
Amer Assoc Advancement Science2014Analysis of Fluid-Fluid Reaction Systems with Reactions in Both Phases
Developing mathematical models for chemical reaction systems is essential for analysis, development, design, optimization and control of chemical, or biochemical industrial processes. Nowadays, more and more companies across the world have to deal with inn ...
2013