Publications related to The Effective Rank: A Measure of Effective Dimensionality

Molecular insights into the electrical double layer of colloidal oxide particles obtained through second harmonic scattering

Photocatalytic applications play an essential role in the search for alternative energy sources and environmental decontamination techniques. It is of fundamental interest to understand on a molecular level the aqueous solid/liquid interface, where photoca ...

EPFL2022

A general framework for non-exponential delayed fluorescence and phosphorescence decay analysis, illustrated on Protoporphyrin IX

Georges Wagnières, Jaroslava Joniová, Emmanuel Louis Arthur Gerelli, Aurelien Stephen Arnaud Gregor

Delayed fluorescence (DF) is a long-lived luminescence process used in a variety of applications ranging from oxygen sensing in biological tissues to organic Light Emitting Diodes. In common cases, DF results from the deexcitation of the first excited trip ...

2020

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

Accelerating path integral evaluation of equilibrium and kinetic isotope effects

Konstantin Karandashev

Investigating the effect of isotope substitution on equilibrium and kinetic properties of molecules has become an important tool for estimating the importance of nuclear quantum effects. In this work, we discuss calculating both equilibrium and kinetic iso ...

EPFL2018

Incremental Kinetic Modeling of Spectroscopic Data using a Reduced Calibration Model

Dominique Bonvin, Julien Léo Billeter

The identification of kinetic models is an important step for the monitoring, control and optimization of chemical processes. Kinetic models are often based on first principles that describe the evolution of concentrations by means of conservation and cons ...

2017

Water Oxidation Kinetics of Accumulated Holes on the Surface of a TiO2 Photoanode: A Rate Law Analysis

Florian Le Formal, Yimeng Ma, Min Ling

It has been more than 40 years since Fujishima and Honda demonstrated water splitting using TiO2, yet there is still no clear mechanism by which surface holes on TiO2 oxidize water. In this paper, we use a range of complementary techniques to study this re ...

Amer Chemical Soc2017

Catalytic synthesis of polyoxymethylene dimethyl ethers (OME): A review

Oliver Kröcher, Alimohammad Bahmanpour, Christophe Jean Baranowski

Polyoxymethylene dimethyl ethers (OME) containing 3-5 CH2O units (OME3-5) are appealing oxygenated fuels, which can be used in diesel engines with only slight fuel system modifications. Their combustion leads to reduced hazardous exhaust gas emissions comp ...

Elsevier2017

Control of Reaction Systems via Rate Estimation and Feedback Linearization

Dominique Bonvin, Julien Léo Billeter, Diogo Filipe Mateus Rodrigues

Abstract of the conference paper The kinetic identification of chemical reaction systems often represents a time-consuming and complex task. This contribution presents an approach that uses rate estimation and feedback linearization to implement ...

Elsevier2015

Integrating Rate Based Models into a Multi-Objective Process Design & Optimisation Framework using Surrogate Models

Levent Sinan Teske

In the development of energy and chemical processes, the process engineers extensively apply computer aided methods to design & optimise these processes and corresponding process units. Such applications are multi-scale modelling and multi-objective optimi ...

EPFL2014

Fast Proton Exchange in Histidine: Measurement of Rate Constants through Indirect Detection by NMR Spectroscopy

Geoffrey Bodenhausen

Owing to its imidazole side chain, histidine participates in various processes such as enzyme catalysis, pH regulation, metal binding, and phosphorylation. The determination of exchange rates of labile protons for such a system is important for understandi ...

Wiley-Blackwell2014