Concept
Absorption (chemistry)
Related publications (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 LTD2021Toward 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 ...
ELSEVIER2021Adsorption of HPDX and CaHPOx (x=1, ...,4) molecules on anatase TiO2 (001) surfaces
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 BV2019Amine 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 ...
2018Adsorption 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 ...
2018Anomalous Nernst effect in Ir22Mn78/Co20Fe60B20/MgO layers with perpendicular magnetic anisotropy
Jean-Philippe Ansermet, Haiming Yu, Sa Tu, Junfeng Hu, Jianyu Zhang, Yao Zhang, Xiangrong Wang
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 Physics2017Xenon Recovery at Room Temperature using Metal-Organic Frameworks
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-Blackwell2017Cutting 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 Chemistry2016Capillarity in pressure infiltration: influence of percolation and wetting angle
Andreas Mortensen, William Craig Carter, Ludger Weber, Alain Léger, Gionata Schneider
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 ...
2015Identification 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