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Concept

Solvatation

Publications associées (29)

Density effects on solute release from the streambed

David Andrew Barry

Contaminants can be released to the stream from the bed by previous pollution events. The releasing contaminants may cause secondary pollution for a river, which impacts the river’s eco-environmental condition. By means of laboratory experiments and numeri ...

2020

Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol

Michele Ceriotti, Anne-Clémence Corminboeuf, Kevin Rossi, Veronika Juraskova

We present a generally applicable computational framework for the efficient and accurate characterization of molecular structural patterns and acid properties in an explicit solvent using H2O2 and CH3SO3H in phenol as an example. To address the challenges ...

AMER CHEMICAL SOC2020

Concurrent multiscale modeling and theory of solute-strengthening for dilute and complex concentrated alloys

Shankha Nag

Under common processing conditions, both dilute and complex concentrated alloys are often realized as random alloys, with no correlation in the occupancy of lattice sites by the constituent atom types. The current thesis primary addresses two problems in r ...

EPFL2020

New Approach to Synthesis of Tetralin via Naphthalene Hydrogenation in Supercritical Conditions Using Polymer-Stabilized Pt Nanoparticles

Lioubov Kiwi

Supercritical (SC) fluid technologies are well-established methods in modern green chemical synthesis. Using SC fluids as solvents instead of traditional liquids gives benefits of higher diffusivity and lower viscosity, which allows mass transfer intensifi ...

2020

Ultrafast Photoelectron and Optical Spectroscopies of Photoinduced Processes in Molecular Systems in Solution

Luca Longetti

Investigating molecular excitations with femtosecond time resolution is of pivotal importance to understand the out-of-equilibrium processes taking place in molecular systems upon light absorption. The photochemistry of solvated species is heavily determin ...

EPFL2020

Charge/discharge cycling of Li1+x(Ni0.6Co0.2Mn0.2)1−xO2 primary particles performed in a liquid microcell for transmission electron microscopy studies

Vasiliki Tileli, Tzu-Hsien Shen, Robin Pierre Alain Girod, Jing Hou

Ni-rich layered oxides are promising positive electrodes for fulfillment of government and industry targets for lithium-ion-battery-operated electric mobility purposes. Apart from ongoing research focusing on their design and material production, advanced ...

2020

Depletion Effect-mediated Association of Carbon Nanotube-Polymer Composites and Their Application as Inexpensive Electrode Support Materials

Paul Joseph Dyson, Zhangjun Huang

The association between carbon nanotubes (CNTs) and polymers to afford functional composites has been attributed to enthalpic interactions, neglecting the entropic depletion effect, in which bound solvents are released during the association process. Here, ...

AMER CHEMICAL SOC2020

Dissolved major and trace geochemical dynamics in Antarctic lacustrine systems

Tyler Joe Kohler

Clearwater Mesa Uames Ross Island, northeast Antarctic Peninsula) provides a unique opportunity to study solute dynamics and geochemical weathering in the pristine lacustrine systems of a high latitude environment. In order to determine major controls on t ...

Elsevier2020

Limestone calcined clay cements (LC3): raw material processing, sulfate balance and hydration kinetics

Franco Alberto Zunino Sommariva

Limestone calcined clay cements (LC3) are blended cements that combine clinker, limestone, calcined clay and gypsum. The availability of the materials required to produce LC3 and the good performance that it achieves, makes LC3 suitable as a sustainable re ...

EPFL2020