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Concept

Chemical kinetics

Related publications (32)

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

Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes

Tomasz Poreba

Barocaloric (BC) materials provide cheaper and more energy efficient alternatives to traditional refrigerants. Some liquid alkanes were recently shown to exhibit a colossal BC effect, matching the entropy changes in commercial vapour-liquid refrigerants. D ...

Royal Soc Chemistry2023

Drift-Diffusion Simulations of Charge Transport and Trap Dynamics in Organic Semiconductor Materials

Camilla Arietta Vael-Garn

Polymeric semiconductors have gained significant attention in the field of organic electronics due to their unique properties and potential applications. Through their ability to transport charge carriers and to absorb or emit light, they have attracted mu ...

EPFL2023

Robustness of Local Predictions in Atomistic Machine Learning Models

Michele Ceriotti, Federico Grasselli, Chiheb Ben Mahmoud, Sanggyu Chong

Machine learning (ML) models for molecules and materials commonly rely on a decomposition of the global target quantity into local, atom-centered contributions. This approach is convenient from a computational perspective, enabling large-scale ML-driven si ...

Amer Chemical Soc2023

Oxidative Water Treatment: The Track Ahead

Urs von Gunten

Chemical oxidation has been applied in municipal water treatment for more than a century, initially for disinfection. In the early decades, chlorine disinfection was adopted in the fight against waterborne disease. However, the oxidative properties of chlo ...

2023

Drops: Controlled crystallization of organic crystals and their use as matrix materials for encapsulation of volatiles

Aysu Ceren Okur

Encapsulation techniques open up new possibilities to control the kinetics and location of the release of active ingredients. Despite the progresses achieved to obtain a better control over the dimensions and composition of the capsules, the encapsulation ...

EPFL2022

A method for the reliable and reproducible precipitation of phase pure high Ca/Si ratio (>1.5) synthetic calcium silicate hydrates (C-S-H)

Karen Scrivener, Paul Bowen, Maya Nicole Harris

Various methods have been developed to synthesize C-S-H; however, these methods have only allowed for the successful production of pure-phase C-S-H with Ca:Si of 1.5 or less. Attempts to form higher Ca:Si ratios by these methods gives C-S-H (Ca:Si 1.5 or l ...

Pergamon-Elsevier Science Ltd2022

Modulating the Reactivity of Liquid Ga Nanoparticle Inks by Modifying Their Surface Chemistry

Raffaella Buonsanti, Laia Castilla Amorós, James Richard Pankhurst

Micro- and nanosized particles of liquid metals, particularly Ga-based alloys, are attracting increasing attention for applications in several fields. The surface functionalization of Ga-based nanoparticles (NPs) with organic ligands renders easily process ...

2022

Bulk Defects and Hydrogenation Kinetics in Crystalline Silicon Solar Cells With Fired Passivating Contacts

Christophe Ballif, Franz-Josef Haug, Andrea Ingenito, Mario Joe Lehmann, Philippe Wyss, Audrey Marie Isabelle Morisset

In this article, the effect of the various processing steps during the fabrication of c-Si/SiOx/SiCx fired passivating contacts on the silicon bulk lifetime is studied, and the kinetics of defect deactivation by hydrogenation is investigated. It is found t ...

2022

Symbolic kinetic models in python (SKiMpy): intuitive modeling of large-scale biological kinetic models

Vassily Hatzimanikatis, Maria Masid Barcon, Georgios Fengos, Daniel Robert Weilandt, Pierre Guy Rémy Salvy, Zhaleh Hosseini

Motivation: Large-scale kinetic models are an invaluable tool to understand the dynamic and adaptive responses of biological systems. The development and application of these models have been limited by the availability of computational tools to build and ...

Oxford University Press2022

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

Hiding in Plain Sight: The Issue of Hidden Variables

Yimon Aye

Here we discuss "hidden variables", which are typically introduced during an experiment as a consequence of the application of two independent variables together to create a stimulus. With increased sophistication in modern chemical biology tools and relat ...

AMER CHEMICAL SOC2022