Concept

Absorption (physique)

Publications associées (31)

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

Athanasios Nenes, Satoshi Takahama, Mária Lbadaoui-Darvas

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 LTD2021

Toward smart carbon capture with machine learning

Berend Smit, Seyedmohamad Moosavi, Mohammad Rahimi

Machine learning (ML) is emerging as a powerful approach that has recently shown potential to affect various frontiers of carbon capture, a key interim technology to assist in the mitigation of climate change. In this perspective, we reveal how ML implemen ...

ELSEVIER2021

Adsorption of HPDX and CaHPOx (x=1, ...,4) molecules on anatase TiO2 (001) surfaces

Michel Posternak

perform DFT calculations within the COSMO framework to study the adsorption properties of the CaHPOx (x = 1,...,4) phosphate family, and of the related HPOx acids, on a paradigmatic anatase (001) surface. Of particular interest is CaHPO4, a precursor of hy ...

ELSEVIER SCIENCE BV2019

Amine functionalized activated carbon fibers as effective structured adsorbents for formaldehyde removal

Lioubov Kiwi, Guillaume Bastien Baur, Jonathan Spring

Activated carbon fibers (ACFs) with surface modified by a diethylene triamine (DETA) are synthesized for the abatement of formaldehyde in gas phase at low concentration. Adsorbents with several DETA loadings were tested and characterized. The amount of DET ...

2018

Adsorption Free Energy of Single Amino Acids at the Rutile (110)/ Water Interface Studied by Well-Tempered Metadynamics

Paul Bowen, Ulrich Aschauer, Azade Yazdan Yar

Single amino acids are present in blood plasma and are the building blocks of larger organic residues. Their interaction with surfaces is therefore crucial for biomedical applications in contact with blood. In this work, we use well-tempered metadynamics t ...

2018

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The anomalous Nernst effect in a perpendicularly magnetized Ir22Mn78/Co20Fe60B20/MgO thin film is measured using well-defined in-plane temperature gradients. The anomalous Nernst coefficient reaches 1.8 mu V/K at room temperature, which is almost 50 times ...

American Institute of Physics2017

Xenon Recovery at Room Temperature using Metal-Organic Frameworks

Daniele Ongari

Xenon is known to be a very efficient anesthetic gas, but its cost prohibits the wider use in medical industry and other potential applications. It has been shown that Xe recovery and recycling from anesthetic gas mixtures can significantly reduce its cost ...

Wiley-Blackwell2017

Cutting the cost of carbon capture: a case for carbon capture and utilization

Berend Smit, Johanna Maria Huck, Lennart Joos

A significant part of the cost for carbon capture and storage ( CCS) is related to the compression of captured CO2 to its supercritical state, at 150 bar and typically 99% purity. These stringent conditions may however not always be necessary for specific ...

Royal Soc Chemistry2016

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Composite materials are often produced by pressure-infiltration of a liquid matrix into a preform of packed solid fibers or particles. Capillary forces that intervene in this process are quantified by measuring saturation curves, which are plots of the fra ...

2015

Identification of the mechanisms responsible for static strain ageing in heavily drawn pearlitic steel wires

Daniele Mari, Aude Marie Agnès Lamontagne

The microstructural changes occurring during drawing and ageing in pearlitic steel wires have been studied using the thermoelectric power (TEP) measurements combined with atom probe tomography (APT) and differential scanning calorimetry (DSC). APT analysis ...

Taylor & Francis Ltd2014

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