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Publications associées (11)

Atomic Level Insights of Non-Noble Metal Catalysts for the Oxygen Evolution Reaction

Lichen Bai

The conversion of intermittent renewable energy resources in the form of chemical bond, such as hydrogen production from electrochemical water splitting, is a promising way to satisfy the future global energy demand and address the environmental issues. Th ...

EPFL2021

Non-equilibrium kinetics and trajectory thermodynamics of synthetic molecular pumps

Cristian Pezzato

A major goal in the design of synthetic molecular machines is the creation of pumps that can use the input of energy to transport material from a reservoir at low chemical potential to a different reservoir at higher chemical potential, thereby forming and ...

ROYAL SOC CHEMISTRY2020

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

Dominique Bonvin, Diogo Filipe Mateus Rodrigues

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 ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Mechanistic study of the photo‐generation of hydrogen by decamethylruthenocene

Hubert Girault, Laurent Alexis Clément Vannay, Manuel Alejandro Méndez Agudelo, Heron Vrubel, Sunny Isaïe Maye, Micheal Diarmaid Scanlon, Pekka Eero Peljo, Lucie Josette Renée Rivier

Hydrogen evolution by decamethylruthenocene (Cp*2RuII) was studied in detail highlighting that metallocenes are capable of photo‐reducing hydrogen without the need of an additional sensitizer. Electrochemical, gas chromatographic and spectroscopic (UV/vis, ...

2019

Extent Computation under Rank-deficient Conditions

Dominique Bonvin, Julien Léo Billeter

The identification of kinetic models can be simplified via the computation of extents of reaction on the basis of invariants such as stoichiometric balances. With extents, one can identify the structure and the parameters of reaction rates individually, wh ...

2017

Boosted Hybrid Method for Solving Chemical Reaction Systems with Multiple Scales in Time and Population Size

Assyr Abdulle

A new algorithm, called boosted hybrid method, is proposed for the simulation of chemical reaction systems with scale-separation in time and disparity in species population. For such stiff systems, the algorithm can automatically identify scale-separation ...

Cambridge University Press2012

Influence of Argon and Nitrogen Admixture in HMDSO/O-2 Plasmas onto Powder Formation

Christoph Hollenstein, Marina Ricci

In situ Fourier transform infrared spectroscopy was used to study the powder formation of hexamethyldisiloxane/O-2 plasmas. The spectra show that oxygen plays an important role at the beginning of the process. A large amount of oxygen is responsible for in ...

2011

Beyond Click-Chemistry: Transformation of Azides with Cyclopentadienyl Ruthenium Complexes

Kay Severin, Rosario Scopelliti, Julie Risse

The cyclopentadienyl Ru complexes CpRuCl(cod) (cod = 1,5-cyclooctadiene), CpRuCl(PPh3)2, and [CpRuCl2]2 (Cp = η5-1-methoxy-2,4-di-tert-butyl-3-neopentylcyclopentadienyl) are able to catalyze the decomposition of benzyl azides to give 1,3,5-triphenyl-2,4- ...

American Chemical Society2011

Formalisms for Specifying Markovian Population Models

Barbara Jobstmann, Verena Wolf

We compare several languages for specifying Markovian population models such as queuing networks and chemical reaction networks. These languages -matrix descriptions, stochastic Petri nets, stoichiometric equations, stochastic process algebras, and guarded ...

Springer-Verlag New York, Ms Ingrid Cunningham, 175 Fifth Ave, New York, Ny 10010 Usa2009

Suzuki Coupling Reactions in Ether-Functionalized Ionic Liquids: The Importance of Weakly Interacting Cations

Paul Joseph Dyson, Zhaofu Fei, Andrew Douglas Phillips, Christian Hartinger, Yuehui Li, Xuemei Yang

Imidazolium- and pyridinium-based ionic liqs. with ether/polyether substituents have been evaluated as solvents for palladium-catalyzed Suzuki C-C coupling reactions. In general, reactions proceed more efficiently in these solvents compared to other ionic ...

2008

How reliable are thermodynamic feasibility statements of biochemical pathways?

Urs von Stockar

The driving force for organo- or lithotrophic growth as well as for each step in the metabolic network is the Gibbs reaction energy. For each enzymic step it must be neg. Thermodn. contributes therefore to the in-silico description of living systems. It ma ...

2005

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