Publication
Ultimate control in chemistry
Related publications (33)
Investigation of the heterogeneously catalysed gas phase CO2 hydrogenation reaction: Development of analysis methods and reaction analysis on pristine metal catalysts
Robin Tobias Andreas Mutschler
The aim of this thesis is to contribute to the development of analysis methods that enable an improved investigation of the CO2 hydrogenation reaction such as quantitative mass spectrometry and infrared thermography. Furthermore, the contribution is in the ...
EPFL2019Micropollutant 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 SOC2019Fast real time and quantitative gas analysis method for the investigation of the CO2 reduction reaction mechanism
Andreas Züttel, Emanuele Moioli, Wen Luo, Robin Tobias Andreas Mutschler
We present a new fast real time and quantitative gas analysis method by means of mass spectrometry (MS), which has approximately an order of magnitude faster sampling rate in comparison with a traditional gas chromatography. The method is presented and dis ...
AMER INST PHYSICS2018Generation and Analysis of Large-Scale Dynamic Non-Linear Models of Metabolism
Vassily Hatzimanikatis, Ljubisa Miskovic, Georgios Fengos
Understanding complex responses of metabolic processes in biochemical systems requires the quantitative description of the dynamic interplay between metabolite levels, enzyme levels, and reaction rates. Generation and use of such models is hindered by the ...
2017Generalized Incremental Model Identification for Chemical Reaction Systems
Dominique Bonvin, Julien Léo Billeter, Diogo Filipe Mateus Rodrigues, Adrien Oulevey
Identification of kinetic models and estimation of kinetic parameters in chemical reaction systems can be done using Incremental Model Identification (IMI). By using IMI, it is possible to separate the effect of the different reactions and thus investigate ...
2017Global Identification of Kinetic Parameters via the Extent-based Incremental Approach
Dominique Bonvin, Julien Léo Billeter, Diogo Filipe Mateus Rodrigues
The identification of reaction kinetics represents the main challenge in building models for reaction systems. The identification task can be performed via either simultaneous model identification (SMI) or incremental model identification (IMI), the latter ...
2017Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane
The effects of zeolite structure on the kinetics of n-butane monomolecular cracking and dehydrogenation are investigated for eight zeolites differing in the topology of channels and cages. Monte Carlo simulations are used to calculate enthalpy and entropy ...
American Chemical Society2016Quantum state resolved gas–surface reaction dynamics experiments: a tutorial review
Rainer Beck, Helen Jane Chadwick
We present a tutorial review of our quantum state resolved experiments designed to study gas–surface reaction dynamics. The combination of a molecular beam, state specific reactant preparation by infrared laser pumping, and ultrahigh vacuum surface analysi ...
Royal Society of Chemistry2016Surface Reactions are Crucial for Energy Storage
Philippe Mauron, Shunsuke Kato, Elsa Callini
Reactions between gas molecules, e.g. H-2 and CO2 and solids take place at the surface. The electronic states and the local geometry of the atomic arrangement determine the energy of the adsorbate, i.e. the initial molecule and the transition state. Here w ...
Schweizerische Chemische Gesellschaft2015Control without Kinetic Models via Rate Estimation and Feedback Linearization
The concept of variant and invariant states has been developed to decouple the various dynamic effects in reaction systems. The aim of the project is to explore the applications of this concept to control of reaction systems. The concept of reaction varian ...
2015