Publication

Determination of a scale-up factor from mixing time studies in orbitally shaken bioreactors

Publications associées (31)

Molecular simulations of interfacial systems: challenges, applications and future perspectives

Satoshi Takahama, Mária Lbadaoui-Darvas, Athanasios Nenes

We present a comprehensive review of methods and applications of molecular simulations of interfacial systems. We give a detailed overview of the main techniques and major challenges in the following aspects of solid and fluid surfaces: adsorption at solid ...

TAYLOR & FRANCIS LTD2023

Transferable machine-learning models of complex materials: the case of GaAs

Giulio Imbalzano

Molecular simulations allow to investigate the behaviour of materials at the atomistic level, shedding light on phenomena that cannot be directly observed in experiments. Accurate results can be obtained with ab initio methods, while simulations of large-s ...

EPFL2021

Multi-scale approach for the prediction of atomic scale properties

Michele Ceriotti, Andrea Grisafi, Jigyasa Nigam

Electronic nearsightedness is one of the fundamental principles that governs the behavior of condensed matter and supports its description in terms of local entities such as chemical bonds. Locality also underlies the tremendous success of machine-learning ...

2021

Moored observations of turbulent mixing events in deep Lake Garda, Italy

Marco Toffolon, Sebastiano Piccolroaz

Deep water circulation and mixing processes are responsible for the transport of matter, nutrients and pollutants in deep lakes. Nevertheless, detailed continuous observations are rarely available. To overcome some of these deficiencies and with the aim of ...

2021

Application of particle-based numerical analysis to the practical design of Pelton turbine

François Avellan, Siamak Alimirzazadeh, Takashi Kumashiro

For the design optimization of the Pelton turbine, it is highly demanded to investigate the flow inside the turbine casing, which includes the water jet from the nozzles, the interaction between the jet and rotating runner, and the flow ejected from the bu ...

IOP PUBLISHING LTD2021

Fabrication of micrometer-sized drops as templates for particles

Mathias Steinacher

Drops are omnipresent in our daily life for example in the form of rain drops or as oil drops in a salad dressing. On a technological basis, drops can be used to conduct chemical or biological reactions. These drops often serve as templates to produce mate ...

EPFL2021

Biological fluid dynamics of airborne COVID-19 infection

Andrea Rinaldo

We review the state of knowledge on the bio-fluid dynamic mechanisms involved in the transmission of the infection from SARS-CoV-2. The relevance of the subject stems from the key role of airborne virus transmission by viral particles released by an infect ...

2020

Evaluation of Photocatalysts for Water Splitting through Combined Analysis of Surface Coverage and Energy-Level Alignment

Alfredo Pasquarello, Zhendong Guo, Francesco Ambrosio

To examine whether suitable conditions occur for the water splitting reaction at their interfaces with liquid water, we determine the pH-dependent surface coverage for a series of semiconductors, including GaAs, GaP, GaN, CdS, ZnO, SnO2, and rutile and ana ...

2020

Surface Potential and Interfacial Water Order at the Amorphous TiO2 Nanoparticle/Aqueous Interface

Arianna Marchioro, Sylvie Roke, Marie Bischoff

Colloidal nanoparticles exhibit unique size-dependent properties differing from their bulk counterpart, which can be particularly relevant for catalytic applications. To optimize surface-mediated chemical reactions, the understanding of the microscopic str ...

2020

Microfluidics of binary liquid mixtures with temperature-dependent miscibility

Stefan Guldin, Esther Amstad

Liquid-liquid microfluidic systems rely on the intricate control over the fluid properties of either miscible or immiscible mixtures. Herein, we report on the use of partially miscible binary liquid mixtures that lend their microfluidic properties from a h ...

ROYAL SOC CHEMISTRY2020

Role of OH Intermediates during the Au Oxide Electro-Reduction at Low pH Elucidated by Electrochemical Surface-Enhanced Raman Spectroscopy and Implicit Solvent Density Functional Theory

Nicola Marzari, Francesco Nattino

Molecular understanding of the electrochemical oxidation of metals and the electro-reduction of metal oxides is of pivotal importance for the rational design of catalyst-based devices where metal(oxide) electrodes play a crucial role. Operando monitoring a ...

AMER CHEMICAL SOC2020