Publication

Thermochemical properties from ab initio calculations: pi- and sigma-free radicals of importance in soot formation: (C3H3)-C-center dot (propargyl), (C4H3)-C-center dot, (C13H9)-C-center dot (phenalenyl), (C6H5)-C-center dot (phenyl), (C10H7)-C-center dot (naphthyl), (C14H9)-C-center dot (anthryl), (C14H9)-C-center dot (phenanthryl), (C16H9)-C-center dot (pyrenyl), (C12H7)-C-center dot (acenaphthyl), and (C12H9)-C-center dot (biphenylyl)

Publications associées (30)

Decarbonizing The Production of Primary Aluminium Using Renewable Resource

Aluminium is the second most widely used metal in the world, with a variety of applications ranging from transportation to food packaging and construction. While many aluminium producers target increased utilization of recycled aluminium to produce rolled ...

American Institute of Chemical Engineering2023

Phenomenological theory of variational quantum ground-state preparation

Ivano Tavernelli, Giuseppe Carleo

The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver algorithm aims to prepare the ground state of a Hamiltonian exploiting para ...

Amer Physical Soc2023

Fast and Durable Lithium Storage Enabled by Tuning Entropy in Wadsley-Roth Phase Titanium Niobium Oxides

Yuehui Li, Rui Xia, Kangning Zhao, Liping Zhong

Wadsley-Roth phase titanium niobium oxides have received considerable interest as anodes for lithium ion batteries. However, the volume expansion and sluggish ion/electron transport kinetics retard its application in grid scale. Here, fast and durable lith ...

WILEY-V C H VERLAG GMBH2023

Molten globule-like transition state of protein barnase measured with calorimetric force spectroscopy

Sebastian James Davis

Understanding how proteins fold into their native structure is a fundamental problem in biophysics, crucial for protein design. It has been hypothesized that the formation of a molten globule intermediate precedes folding to the native conformation of glob ...

National Academy of Sciences2022

A data-science approach to predict the heat capacity of nanoporous materials

Seyedmohamad Moosavi, Berend Smit, Mehrdad Asgari, Daniele Ongari, Elias Moubarak, Andres Adolfo Ortega Guerrero, Özge Kadioglu, Balázs Álmos Novotny, Susana Garcia Lopez

The heat capacity of a material is a fundamental property of great practical importance. For example, in a carbon capture process, the heat required to regenerate a solid sorbent is directly related to the heat capacity of the material. However, for most m ...

NATURE PORTFOLIO2022

Multi-configuration evaluation of a megajoule-scale high-temperature latent thermal test-bed

Sophia Haussener, Maurizio Barbato, Selmar Rudolf Binder, Alberto Ortona, Nithin Mallya, Clemens Gregor Suter

Thermal energy storage via latent heat provides an energy dense solution and, during discharge, a hot stream at a well-defined temperature. Utilizing metal phase change materials (PCMs) and high-temperature operation might enable fast (dis)charging and app ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Enhancement of Pressure-Sensitive Adhesive by CO2 Laser Treatment

Dario Floreano, Jianhang Yang, Jun Shintake, Vivek Ramachandran, Yegor Piskarev, Michael Dickey

Pressure-sensitive adhesives (PSAs) are polymeric films that can be adhered to and detached from surfaces without leaving residue. Researchers are looking to enhance the bond strength between PSAs and different substrates. It can be achieved by tuning PSA' ...

2022

A parametric study on pool boiling heat transfer and critical heat flux on structured surfaces with artificial cavities

Luis Guillermo Villanueva Torrijo, Ahmad Reza Motezakker

Emerging applications in new generation electronic devices require effective heat removal and thermal man-agement. In this regard, boiling is a phase change phenomenon capable of dissipating a large amount of heat compared to the sensible heat. In this stu ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Flow Boiling of Carbon Dioxide at Different Channel Orientations for the Thermal Management of Future Detector Technologies at the High-Luminosity Large Hadron Collider at CERN

David Schmid

The global warming potential (GWP) of working fluids in thermodynamic cycles and their environmental impact have been gaining considerable attention within the recent years. The global objectives on climate protection are becoming increasingly ambitious, w ...

EPFL2022

Helical versus linear Jahn-Teller distortions in allene and spiropentadiene radical cations

Anne-Clémence Corminboeuf, Marc Hamilton Folkmann Garner, Rubén Laplaza Solanas

The allene radical cation can be stabilized both by Jahn-Teller distortion of the bond lengths and by torsion of the end-groups. However, only the latter happens and the allene radical cation relaxes into a twisted D-2 symmetry structure with equal double- ...

ROYAL SOC CHEMISTRY2022