Concept

On the Equilibrium of Heterogeneous Substances

Related publications (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 SOC2019

Quantum chemical studies of reactive species in water

Daniela Trogolo

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 ...

EPFL2016

Invariant Relationships for Heterogeneous Chemical Reaction Systems in Open Reactors

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Many chemical and biochemical industries utilize chemical reaction processes to get desired products from raw materials. Common examples include reaction systems used to manufacture pharmaceutical drugs, vaccines and other chemicals. A chemical reaction sy ...

2014

Vibrationally 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 Science2014

Analysis of Fluid-Fluid Reaction Systems with Reactions in Both Phases

Adrien Calabria

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

Incremental Model Identification of Reaction Systems

Julien Léo Billeter

Identification of kinetic models is an important task for monitoring, control and optimization of industrial processes. Robust kinetic models are often based on first principles, which describe the evolution of states – number of moles, temperature and vol ...

2013

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