Publication

Incremental Identification of Reaction and Mass-Transfer Kinetics Using the Concept of Extents

Publications associées (31)

On the Use of the Generalized Littlewood Theorem Concerning Integrals of the Logarithm of Analytical Functions for the Calculation of Infinite Sums and the Analysis of Zeroes of Analytical Functions

Recently, we have established and used the generalized Littlewood theorem concerning contour integrals of the logarithm of an analytical function to obtain a few new criteria equivalent to the Riemann hypothesis. Here, the same theorem is applied to calcul ...

MDPI2023

CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?

Wanda Andreoni, Fabio Pietrucci, Changru Ma

Absorption in amine solutions is a well-established advanced technology for CO2 capture. However, the fundamental aspects of the chemical reactions occurring in solution still appear to be unclear. Our previous investigation of aqueous monoethanolamine (ME ...

2023

Chlorination of amides: Kinetics and mechanisms of formation of N-chloramides and their reactions with phenolic compounds

Urs von Gunten, Tianqi Zhang

Amides are common constituents in natural organic matter and synthetic chemicals. In this study, we investi-gated kinetics and mechanisms of the reactions of chlorine with seven amides, including acetamide, N-meth-ylformamide, N-methylacetamide, benzamide, ...

2023

Predicting Transformation Products during Aqueous Oxidation Processes: Current State and Outlook

Urs von Gunten

Water quality and its impacts on human and ecosystem health presents tremendous global challenges. While oxidative water treatment can solve many of these problems related to hygiene and micropollutants, identifying and predicting transformation products f ...

2023

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

Fabio Pietrucci, Sara Bonella, David Daniel Girardier

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 ...

Aip Publishing2023

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

Anna Fontcuberta i Morral, Elias Zsolt Stutz, Andrea Giunto, Santhanu Panikar Ramanandan, Iléane Tiphaine Françoise Marie Lefevre, Mirjana Dimitrievska

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 ...

IOP Publishing Ltd2023

Analysis of the preliminary campaign for the PETALE program

Andreas Pautz, Vincent Pierre Lamirand, Thomas Jean-François Ligonnet, Axel Guy Marie Laureau

The PETALE program aims to provide new experimental data to constrain the stainless steel nuclear data. In this frame, a preliminary measurement campaign has been performed to characterize the neutron flux in key positions of the CROCUS reactor and to deve ...

EDP SCIENCES S A2023

Multidimensional Electron Imaging of Catalyst Layer Materials

Robin Pierre Alain Girod

The proton exchange membrane fuel cell (PEMFC) is an important technology for clean power generation in a decarbonized hydrogen system and is notably envisioned for applications in heavy-duty transportation. However, for cost and performance competitivenes ...

EPFL2023

Gait Phase Estimation in Steady Walking: A Comparative Study of Methods Based on the Phase Portrait of the Hip Angle

Mohamed Bouri, Auke Ijspeert, Davide Malatesta, Coline Lugaz, Ali Reza Manzoori, Tian Ye

Accurate real-time estimation of the gait phase (GP) is crucial for many control methods in exoskeletons and prostheses. A class of approaches to GP estimation construct the phase portrait of a segment or joint angle, and use the normalized polar angle of ...

IEEE Xplore2023

Atomic scale volume and grain boundary diffusion elucidated by in situ STEM

Johann Michler, Amit Sharma, Laszlo Pethö, Xavier Maeder

Diffusion is one of the most important phenomena studied in science ranging from physics to biology and, in abstract form, even in social sciences. In the field of materials science, diffusion in crystalline solids is of particular interest as it plays a p ...

Nature Portfolio2023

Building a Knowledge Graph of Chinese Kung Fu Masters From Heterogeneous Bilingual Data

Lin Yuan, Yumeng Hou

Various endeavours into semantic web technologies and ontology engineering have been made within the organisation of cultural data, facilitating public access to digital assets. Although models for conceptualising objects have reached a certain level of ma ...

2023