Publications related to Eyring equation

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

César Pulgarin, Stefanos Giannakis, Ling Feng

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 ...

ELSEVIER SCIENCE SA2022

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

César Pulgarin, Stefanos Giannakis, Ling Feng

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 ...

ELSEVIER SCIENCE SA2022

A Precious Catalyst: Rhodium-Catalyzed Formic Acid Dehydrogenation in Water

Gabor Laurenczy, Cornel Fink

The performance of rhodium complex [Cp*Rh(bis(pyrazol-1-yl)methane)Cl]Cl was evaluated for formic acid dehydrogenation in aqueous solution. Solid-state X-ray diffraction helped to confirm the catalyst structure. Multinuclear NMR spectroscopy was employed t ...

WILEY-V C H VERLAG GMBH2019

Solar cooking potential in Switzerland: Nodal modelling and optimization

Andreas Schueler, Josef Andreas Schuler, Dasaraden Mauree, Olivia Valérie Charlotte Bouvard, Luc Burnier, Jérémy Jacques Antonin Fleury, Timothée Chatelain, Samson Taylor

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 ...

PERGAMON-ELSEVIER SCIENCE LTD2019

Combined Nuclear Magnetic Resonance and Molecular Dynamics Study of Methane Adsorption in M-2(dobdc) Metal-Organic Frameworks

Berend Smit, Efrem Daniel Braun, Rocio Mercado, Amber Kashan Mace

We examine the diffusion of methane in the metal organic frameworks M-2(dobdc) (M = Mg, Ni, Zn; dobdc(4-) = 2,5-diwddo-1,4-benzenedicarboxylate) as a function of methane loading through a combination of nuclear magnetic resonance and molecular dynamics sim ...

2019

Homogeneous Catalytic Formic Acid Dehydrogenation in Aqueous Solution using Ruthenium Arene Phosphine Catalysts

Gabor Laurenczy, Cornel Fink, Lu Chen

In this work, we studied catalytic formic acid dehydrogenation with a homogeneous RAPTA type precatalyst in aqueous solution. The effects of an amino group, attached to the arene, and the impact of a second equivalent of 1,3,5‐triaza‐7‐phosphaadamantane (P ...

2018

Computational support for a scaffolding mechanism of centriole assembly

Pierre Gönczy, Paul Guichard, Virginie Hamel

Centrioles are essential for forming cilia, flagella and centrosomes. Successful centriole assembly requires proteins of the SAS-6 family, which can form oligomeric ring structures with ninefold symmetry in vitro. While important progress has been made in ...

Nature Research2016

Effect of service temperature on the flexural creep of vacuum infused GFRP laminates used in sandwich floor panels

Thomas Keller, Mário Alexandre De Jesus Garrido

This paper presents an experimental and analytical study about the effect of temperature on the flexural creep of GFRP laminates produced by vacuum infusion. Such laminates are considered for use in the faces of sandwich panels for building floor applicati ...

Elsevier2016

Toward the correspondence between Q-clouds and sphalerons

Andrey Shkerin

Non-linear classical equations of motion may admit degenerate solutions at fixed charges. Whereas the solutions with lower energies are classically stable, those with larger energies are unstable and are referred to as Q-clouds. We consider a theory in whi ...

Elsevier2015

Capture and Release of CO2 in Monoethanolamine Aqueous Solutions: New Insights from First-Principles Reaction Dynamics

Wanda Andreoni, Changru Ma, Fabio Pietrucci

Aqueous,monoethanolamine (MEA) solution is commonly used for post-combustion carbon capture via chemical absorption. Extensive research has been carried out to characterize both uptake and release of carbon dioxide (CO2), with the aim of improving process ...

Amer Chemical Soc2015

On the Viability of Heterolytic Peptide N-Calpha Bond Cleavage in Electron Capture and Transfer Dissociation Mass Spectrometry

Yury Tsybin, Matthew Wodrich, Anne-Clémence Corminboeuf, Konstantin Zhurov

While frequently employed as an experimental technique, the mechanistic picture surrounding the gas-phase dissociation of peptides carrying multiple positive charges during electron capture and electron transfer dissociation tandem mass spectrometry remain ...

Amer Chemical Soc2014

Temperature Dependence of Transport Properties of Spiro-MeOTAD as a Hole Transport Material in Solid-State Dye-Sensitized Solar Cells

Michael Graetzel, Mohammad Khaja Nazeeruddin, Thomas Moehl, Amalie Dualeh

The internal transport and recombination parameters of solid-state dye-sensitized solar cells (ssDSCs) using the amorphous organic semiconductor 2,2',7,7'-tetrakis(N,N-di-p-methoxyphenylamine)-9,9'-spirobtfluorene (spiro-MeOTAD) as a hole transport materia ...

American Chemical Society2013

Synthesis of Room-Temperature Ionic Liquids with the Weakly Coordinating [Al(ORF)4]- Anion (RF=C(H)(CF3)2) and the Determination of Their Principal Physical Properties

Paul Joseph Dyson, Gabor Laurenczy, Safak Bulut

A large series of ionic liqs. (ILs) based on the weakly coordinating alkoxyaluminate [Al(hfip)4]- (hfip: hexafluoroisopropoxy) with classical as well as functionalized cations were prepd., and their principal phys. properties detd. M.ps. are between 0 ([C4 ...

2010

Investigation of 3D moisture diffusion coefficients and damage in a pultruded E-glass/polyester structural composite

Thomas Keller, Florian Riebel

As civil engineers seek to improve buildings and bridges, they are turning to composite materials for some structural components. Thus the long-term life of these materials in damp highly acidic conditions (from concrete pore solutions) is critical. This a ...

2009

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

This article is part of the project to model the kinetics of high-temperature combustions, occurring behind shock waves and in detonation waves. The "conventional" semi-empirical correlations of ignition delays have been reformulated, by keeping the Arrhen ...

2008

Modeling of stiffness properties of FRP composites under elevated and high temperatures

Thomas Keller, Yu Bai, Till Vallée

When subjected to elevated and high temperatures, the mechanical properties of FRP composites, such as the E- modulus and viscosity, experience significant changes. At a certain temperature, a composite material can be considered a mixture of materials tha ...

2008

Characterization of frequency-dependent glass transition temperature by Vogel-Fulcher relationship

Yu Bai, Li Jin

The complex mechanical modulus of polymer and polymer based composite materials showed a frequency-dependent behaviour during glass transition relaxation, which was historically modelled by the Arrhenius equation. However, this might not be true in a broad ...

2008

Coating fragmentation by branching cracks at large biaxial strain

Yves Leterrier

The fragmentation behaviour of a thin brittle coating attached to a ductile substrate subjected to equibiaxial quasi-static in-plane tension is studied. The experimentally observed cracking patterns are related to repetitively branching coating cracks. The ...

2007

Minimal stabilization of discontinuous Galerkin finite element methods for hyperbolic problems

Erik Burman, Benjamin Stamm

We consider a discontinuous Galerkin finite element method for the advection– reaction equation in two space–dimensions. For polynomial approximation spaces of degree greater than or equal to two on triangles we propose a method where stability is obtained ...

2007

Mechanistic Studies on the Formation of eta(2)-Diphosphine (eta(6)-p-cymene)ruthenium(II) Compounds

Paul Joseph Dyson, Gabor Laurenczy, Céline Fellay

A new range of pendent diphosphine (η6-p-cymene)ruthenium(II) complexes, [RuCl(PPh3)(η1-(P-P))(η6-p-cymene)]PF6 (P-P = dppm, cis-PPh2CHCHPPh2

2007