Publications related to Emergent thermophoretic behavior in chemical reaction systems

Design and assessment of an evaporating water-cooled methanation reactor for a SOE-based power-to-methane system

The transition towards clean renewable energy sources, where wind and solar are prone to variation, requires adequate energy storage. Power-to-methane (PtM) systems can be part of the solution. Specifically, solid-oxide-electrolyser (SOE) based PtM systems ...

EPFL2024

Thermal conductivity of Li 3 PS 4 solid electrolytes with ab initio accuracy

Michele Ceriotti, Federico Grasselli

The vast amount of computational studies on electrical conduction in solid-state electrolytes is not mirrored by comparable efforts addressing thermal conduction, which has been scarcely investigated despite its relevance to thermal management and (over)he ...

Amer Physical Soc2024

Decomposition method to evaluate district heating/cooling network potential at urban scale

François Maréchal, Luc Girardin, Ana Catarina Gouveia Braz, Bingqian Liu, Raphaël Briguet

In this work, a tool to design district heating networks (DHN) is presented and applied to the city of Lausanne as a case study. The evaluation of the buildings’ heat/cooling demand is performed using a Geographic Information System (GIS) database, built f ...

Associazione Italiana Di Ingegneria Chimica2024

Self-catalysed frontal polymerisation enables fast and low-energy processing of fibre reinforced polymer composites

Véronique Michaud, Jacobus Gerardus Rudolph Staal, Baris Çaglar

Frontal polymerisation has the potential to bring unprecedented reductions in energy demand and process time to produce fibre reinforced polymer composites. Production of epoxy-based fibre reinforced polymer parts with high fibre volume content, commonly e ...

2024

Unearthing the foundational role of anharmonicity in heat transport in glasses

The time-honored Allen -Feldman theory of heat transport in glasses is generally assumed to predict a finite value for the thermal conductivity, even if it neglects the anharmonic broadening of vibrational normal modes. We demonstrate that the harmonic app ...

Amer Physical Soc2024

Computational fluid dynamics simulations of the heat transfer properties of graphene-based nanolubricants and application to hydrodynamic lubrication

Roberto Guarino

In this paper, we consider experimental data available for graphene-based nanolubricants to evaluate their convective heat transfer performance by means of computational fluid dynamics (CFD) simulations. Single-phase models with temperature-dependent prope ...

Aip Publishing2024

Benchmarking machine-readable vectors of chemical reactions on computed activation barriers

Anne-Clémence Corminboeuf, Ksenia Briling, Puck Elisabeth van Gerwen, Yannick Calvino Alonso, Malte Martin Franke

In recent years, there has been a surge of interest in predicting computed activation barriers, to enable the acceleration of the automated exploration of reaction networks. Consequently, various predictive approaches have emerged, ranging from graph-based ...

Royal Soc Chemistry2024

Plasmoid drift and first wall heat deposition during ITER H-mode dual-SPIs in JOREK simulations

Mengdi Kong

The heat flux mitigation during the thermal quench (TQ) by the shattered pellet injection (SPI) is one of the major elements of disruption mitigation strategy for ITER. It's efficiency greatly depends on the SPI and the target plasma parameters, and is ult ...

IOP Publishing Ltd2024

Inter-discharge optimization for fast, reliable access to ASDEX Upgrade advanced tokamak scenario

Olivier Sauter, Federico Alberto Alfredo Felici, Simon Van Mulders, Cassandre Ekta Contré, Hartmut Zohm

Rapid inter-discharge simulation and optimization using the RAPTOR code have allowed the development of a reliable and reproducible early heating strategy for an advanced tokamak (AT) scenario on ASDEX Upgrade. Solving for electron heat and current diffusi ...

IOP Publishing Ltd2024

Plasmonic Nanostructures for Photocatalysis: Material, Photonic and Electronic Effects

Fateme Kiani Shahvandi

Plasmonic photochemistry has a large potential to replace energy-intensive chemical processes with low-temperature, low-pressure light-driven chemical reactions. Plasmonic nanostructures have emerged as promising photocatalysts with exceptional and tunable ...

EPFL2024