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Concept

Chemical thermodynamics

Publications associées (29)

Synthetic chemistry with nitrous oxide and triazenes

Iris Roswitha Landman

Nitrous oxide (N2O) has gained much interest because of its physiological effects ("laughing gas") and its negative environmental impact ("greenhouse gas", "ozone-depleting substance"): It has a lifetime of more than 100 years in the atmosphere. Its persis ...

EPFL2022

Imaging of Chemical Kinetics at the Water–Water Interface in a Free-Flowing Liquid Flat-Jet

Andreas Osterwalder, Bruno Credidio

We present chemical kinetics measurements of the luminol oxidation chemiluminescence (CL) reaction at the interface between two aqueous solutions, using liquid jet technology. Free-flowing liquid microjets are a relatively recent development that have foun ...

2022

Emergent thermophoretic behavior in chemical reaction systems

Paolo De Los Rios, Daniel Maria Busiello, Shiling Liang

Exposing a solution to a temperature gradient can lead to the accumulation of particles on either the cold or warm side. This phenomenon is known as thermophoresis, and its microscopic origin is still debated. Here, we show that thermophoresis can be obser ...

IOP Publishing Ltd2022

Electric metal contacts to monolayer blue phosphorus: electronic and chemical properties

Xiao Zhou

The contact nature when monolayer blue phosphorus (blueP) interfaces with three transition metal electrodes (i. e., Pd, Ir, and Pt) was unraveled by the ab initio density functional theory calculations. Specifically, n-type Schottky contact is observed for ...

ELSEVIER2022

Parallel temporal signal processing enabled by polarization-multiplexed programmable THz metasurfaces

Romain Christophe Rémy Fleury, Ali Momeni

Under the trends of multifunctionality, tunability, and compactness in modern wave -based signal processors, in this paper, we propose a polarization-multiplexed graphene-based metasurface to realize distinct mathematical operators on the parallel time-dom ...

Optica Publishing Group2022

Kernel Methods and Similarity Learning Applied in Computational Chemistry

Raimon Fabregat I De Aguilar-Amat

Over the last two decades, data-powered machine learning (ML) tools have profoundly transformed numerous scientific fields. In computational chemistry, machine learning applications have permitted faster predictions of chemical properties and provided powe ...

EPFL2022

A genome-scale metabolic model of Saccharomyces cerevisiae that integrates expression constraints and reaction thermodynamics

Vassily Hatzimanikatis, Ljubisa Miskovic, Maria Masid Barcon, Pierre Guy Rémy Salvy, Mohammadomid Oftadeh

Eukaryotic organisms play an important role in industrial biotechnology, from the production of fuels and commodity chemicals to therapeutic proteins. To optimize these industrial systems, a mathematical approach can be used to integrate the description of ...

Nature Portfolio2021

Transport signatures of temperature-induced chemical potential shift and Lifshitz transition in layered type-II Weyl semimetal TaIrTe4

Oleg Yazyev, Quansheng Wu

Temperature-induced Lifshitz transitions have been identified in several materials. Their chemical potential shows a substantial shift with changing temperature. The common feature of these materials is the coexistence of electron and hole pockets in the v ...

IOP PUBLISHING LTD2021

An in-situ 3D micro-XRD investigation of water uptake by alkali-silica-reaction (ASR) product

Solène Anne-Lise Albinski

The ASR products in concrete have various chemical compositions. It is yet unclear whether and how these products develop micro-expansion upon moisture ingress. This paper presents a 3D in-situ observation of the crystallography and volume change of an ASR ...

Pergamon-Elsevier Science Ltd2021