Formulation reproducing the ignition delays simulated by a detailed mechanism: Application to n-heptane combustion

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Rare events include many of the most interesting transformation processes in condensed matter, from phase transitions to biomolecular conformational changes to chemical reactions. Access to the corresponding mechanisms, free-energy landscapes and kinetic r ...

Barium zirconium sulfide (BaZrS3) is an earth-abundant and environmentally friendly chalcogenide perovskite with promising properties for various energy conversion applications. Recently, sulfurization of oxide precursors has been suggested as a viable sol ...

The present bi-partite work describes the development and validation of a mechanistic kinetic model of SODIS E. coli inactivation, enhanced with H2O2. In this first part, the mechanism of the baseline dark phenomena is modelled. A mechanistic model involvi ...

In this second part of the development of a mechanistic kinetic model of the solar inactivation of E. coli enhanced with hydrogen peroxide, we evaluate the mechanisms based on photonic inactivation and integrate them into the kinetic model of the dark proc ...

Knowledge of oxygen diffusion in garnet is crucial for a correct interpretation of oxygen isotope signatures in natural samples. A series of experiments was undertaken to determine the diffusivity of oxygen in garnet, which remains poorly constrained. The ...

Cemented carbides are widely used in the cutting tools industry for their mechanical properties. They are composite materials made of hard tungsten carbide grains jointed together by a ductile cobalt binder. Due to the extreme conditions of use of the tool ...

The production of radioisotope beams at the ISOLDE (Isotope Separator OnLine DEvice) facility at CERN is achieved by irradiating target materials (e.g. uranium carbides and metal foils) with protons. The materials are usually operated at temperatures above ...

In this thesis we present the design of two setups to study low-energy collisions between neutral species: an electron velocity map imaging for chemi-ionisation reactions and a merged electrostatic guide for polar molecules scattering. In the past few yea ...

The chemi-ionization of Ar, Kr, N2, H2, and D2 by Ne(3P2) and of Ar, Kr, and N2 by He(3S1) was studied by electron velocity map imaging (e-VMI) in a crossed molecular beam experiment. A curved magnetic hexapole was used to state-select the metastable speci ...

The direct construction of stereogenic axes by enantioselective C-H arylation has been regarded as a very challenging transformation. Very few examples have been reported, despite the indisputable straight-forwardness of the methodology. This is due to the ...

Producing hydrogen from water using a redox mediator on solid electrocatalyst particles in a reactor offers several advantages over classical electrolysis in terms of safety, membrane degradation, purity and flexibility. Herein, vanadium-mediated hydrogen ...

For the investigation of complex reaction systems, it has been proposed to decouple the various rate processes using a linear time-invariant transformation that is constructed from knowledge of stoichiometry, reaction enthalpies, inlet compositions and tem ...

The present article describes the preliminary validation study of simulated in-core and reflector n eutron spectra in preparation of oncoming experimental programs in the zero-power reactor CROCUS at EPFL. For this purpose, a set of activation foils were i ...

Renewable energy supply and energy storage in a closed materials cycle are the urgent global challenges of the 21st century. Carbon dioxide (CO2) hydrogenation over catalysts is a method to produce synthetic fuels from renewable energy in a CO2 neutral cyc ...

Electrocatalysts play an important part on the route towards environmental friendly energy sources. They support modern technologies like fuel cells to move further away from the utilization of fossil fuels and the resulting CO2 emission into our atmospher ...

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 ...

This thesis investigates the interaction between mechanically induced flow of a liquid metal into a porous solid, and kinetic effects at the triple line. The approach is experimental and focuses on metal-ceramic systems for which the literature gives value ...

Solar cooking is one possible solution to reduce the domination of fossil fuel in the domestic sector and to benefit from renewable energy. This study assesses the solar cooking potential in Switzerland. A nodal model, based on energy balance equations of ...

In this study, the mechanism and kinetics of C3H8 dehydrogenation and cracking are examined over Ga/H-MFI catalysts prepared via vapor-phase exchange of H-MFI with GaCl3. The present study demonstrates that GaH cations are the active centers for C3H8 ...

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 ...

Formulation reproducing the ignition delays simulated by a detailed mechanism: Application to n-heptane combustion

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Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

Understanding the growth mechanism of BaZrS3 chalcogenide perovskite thin films from sulfurized oxide precursors

Mechanistic modelling of solar disinfection (SODIS) kinetics of Escherichia coli, enhanced with H2O2 - part 1: The dark side of peroxide

Mechanistic modelling of solar disinfection (SODIS) kinetics of Escherichia coli, enhanced with H2O2 - Part 2: Shine on you, crazy peroxide

Oxygen diffusion in garnet: Experimental calibration and implications for timescales of metamorphic processes and retention of primary O isotopic signatures

Relaxation time shift of Cobalt related internal friction peak in WC-Co cemented carbide

Systematic investigations of uranium carbide composites oxidation from micro- to nano-scale: Application to waste disposal

Studies of cold chemistry in crossed and merged neutral beams

Study of He/Ne+Ar, Kr, N2, H2, D2 Chemi-Ionization Reactions by Electron Velocity-Map Imaging

Intermolecular Pd(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes and Other Investigations into the Enantioselective Activation of Challenging C(sp3)-H Bonds

Hydrogen production on demand by redox-mediated electrocatalysis: A kinetic study

Revisiting the concept of extents for chemical reaction systems using an enthalpy balance

In-core dosimetry for the validation of neutron spectra in the CROCUS reactor

Mechanisms of the Heterogeneously Catalyzed Reaction of CO2 Hydrogenation on Transition Metal Surfaces

Molecular Engineering of Electrode Surfaces for Electrocatalysis

Investigation of the heterogeneously catalysed gas phase CO2 hydrogenation reaction: Development of analysis methods and reaction analysis on pristine metal catalysts

Dynamic wetting in pressure-infiltration of ceramic particle preforms by molten metal

Solar cooking potential in Switzerland: Nodal modelling and optimization

Mechanism and Kinetics of Propane Dehydrogenation and Cracking over Ga/H-MFI Prepared via Vapor-Phase Exchange of H-MFI with GaCI3

Micropollutant Oxidation Studied by Quantum Chemical Computations: Methodology and Applications to Thermodynamics, Kinetics, and Reaction Mechanisms