Publications related to Predictive Models for Thermal Behavior of Chemicals with Quantitative Structure-Property Relationships

Related publications (31)

Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid

The thermal behavior of 3-benzoylpropionic acid (BPA) was investigated using single-crystal and synchrotron powder X-diffraction, as well as differential scanning calorimetry analysis. The study revealed the existence of two subtly distinct structures of B ...

ROYAL SOC CHEMISTRY2023

Tailor-made Piezoelectric Elastomer Materials

Francis Owusu

Recent advancements in miniature devices with higher computational capabilities and ultralow power consumption have accelerated the development of wearable sensors, actuators, and energy harvesters everywhere. The ultimate aim of such a technological revol ...

EPFL2023

Advancing efficiency and reliability in thermal analysis of laser powder-bed fusion

Christian Leinenbach

In laser based powder-bed fusion of metals (PBF-LB/M), parts are fabricated by melting layers of powder using a high-intensity laser beam. During this process, the material is exposed to rapid cooling rates and intense thermal gradients, which are the unde ...

2023

Characterisation and hydration kinetics of beta-C2S synthesised with K2SO4 as dopant

Karen Scrivener, Franco Alberto Zunino Sommariva

In this study, a protocol for synthesising beta-C2S using K2SO4 as a dopant has been reported. Quantitative X-Ray diffraction was used to characterise synthesised samples. It was observed that it is possible to synthesise beta-C2S with high purity (>96 wt% ...

Pergamon-Elsevier Science Ltd2023

Local electrochemical and thermal investigation of a segmented reversible solid oxide fuel cell and electrolyzer

Audrey Désirée Wesoly, Jan Van Herle, Zacharie Wuillemin, Stefan Diethelm, Hamza Moussaoui

A novel setup has been designed and mounted to investigate the local electrochemical and thermal behavior of a cell from a 4-cell short stack under reversible operation solid oxide fuel cell/solid oxide electrolyzer (SOFC/SOE). It consists in the partition ...

Pergamon-Elsevier Science Ltd2023

Effect of chromium content on microstructural evolution of CoNiAlW superalloy

Cyril Cayron

Effects of chromium (Cr) content on types and morphologies of various phases of a newly developed Co-Ni-Al-W superalloy (Co-30Ni-6W-9Al-3Ti-1Ta) have been investigated in this study. Microstructural examinations were carried out by field-emission scanning ...

SPRINGER HEIDELBERG2022

Characterization of water sorption cycle in the cement microstructure of controlled oxide composition

Monisha Rastogi

This thesis investigates the water vapour sorption behaviour of samples with maximized calcium-silicate-hydrate (C-S-H) content. Primarily, the role of heterogeneous and homogeneous cavitation has been studied during the drying of cementitious materials. C ...

EPFL2022

Second harmonic scattering of water in a biological context

Tereza Schönfeldová

Water is one of the most abundant molecules in the universe. It forms a hydrogen bond network with unique structure and dynamics. Hydrogen bonding is highly relevant to many biological processes including membrane formation, protein folding, adsorption, an ...

EPFL2022

Coupled segregation mechanisms of Sc, Zr and Mn at theta ' interfaces enhances the strength and thermal stability of Al-Cu alloys

Baptiste Thomas Jean Rouxel

The refinement and thermal stability of intermediate theta-prime (theta') precipitates are critical in the development of new high strength 2xxx series aluminium-copper (Al-Cu) alloys for high temperature applications. In this work, we use trace additions ...

PERGAMON-ELSEVIER SCIENCE LTD2021

Promoting Persistent Superionic Conductivity in Sodium Monocarba-closo-dodecaborate NaCB11H12 via Confinement within Nanoporous Silica

Mirjana Dimitrievska

Superionic phases of bulk anhydrous salts based on large cluster-like polyhedral (carba)borate anions are generally stable only well above room temperature, rendering them unsuitable as solid-state electrolytes in energy-storage devices that typically oper ...

AMER CHEMICAL SOC2021

Partitioning soil organic carbon into its centennially stable and active fractions with machine-learning models based on Rock-Eval (R) thermal analysis (PARTY(SOC)v2.0 and PARTY(SOC)v2.0 (EU))

Juan Carlos Quezada Rivera

Partitioning soil organic carbon (SOC) into two kinetically different fractions that are stable or active on a century scale is key for an improved monitoring of soil health and for more accurate models of the carbon cycle. However, all existing SOC fracti ...

COPERNICUS GESELLSCHAFT MBH2021

Characterization of untransformed ferrite in 10Cr and 12Cr ODS steels

Roland Logé

Two new ferrito-martensitic oxide dispersion strengthened (ODS) steels reinforced with (Y, Ti, O) nanoparticles were elaborated using a high-energy attritor. The milled powder was consolidated by hot extrusion at 1050 degrees C. The two types of ODS steels ...

ELSEVIER SCI LTD2021

Hydrothermal interactions in energy walls

Lyesse Laloui, Alessio Ferrari, Jacopo Zannin

Energy geostructures (EGs) employ heat exchangers embedded in concrete geostructures, such as piles, walls, tunnels, and sewers. In this study, energy walls (EWs) are studied with an emphasis on the following objectives: (1) to understand the fundamentals ...

2021

Evaluation of the Effect of Backsheet Properties on PV Encapsulant Degradation under Ultraviolet-Damp-Heat Conditions

Djamel Eddine Mansour

The reliability of photovoltaic (PV) modules is highly determined by the durability of the polymeric components (backsheet and encapsulant). The power degradation and failure of PV modules can be caused by changes in the physical, chemical, and mechanical ...

EPFL2021

Systematic investigations of uranium carbide composites oxidation from micro- to nano-scale: Application to waste disposal

Nhât-Tân Vuong

The production of radioisotope beams at the ISOLDE (Isotope Separator OnLine DEvice) facility at CERN is achieved by irradiating target materials (e.g. uranium carbides and metal foils) with protons. The materials are usually operated at temperatures above ...

EPFL2021

Effects of Ball Milling and TiF3 Addition on the Dehydrogenation Temperature of Ca(BH4)2 Polymorphs

Andreas Züttel

The changes introduced by both ball milling and the addition of small amounts of TiF3 in the kinetics of the hydrogen desorption of three different Ca(BH4)2 polymorphs (α, β and γ) have been systematically investigated. The samples with different polymorph ...

2020

Structural and Dynamical Properties of Potassium Dodecahydro-monocarba-closo-dodecaborate: KCB11H12

Mirjana Dimitrievska

MCB11H12 (M: Li, Na) dodecahydro-monocarba-closo-dodecaborate salt compounds are known to have stellar superionic Li+ and Na+ conductivities in their high-temperature disordered phases, making them potentially appealing electrolytes in all-solid-state batt ...

AMER CHEMICAL SOC2020

Beam duct for the 1 MW neutral beam injector on TCV

Stefano Coda, Basil Duval, Yves Martin, Alexander Karpushov, Frédéric Dolizy, Roberto Maurizio, Matthieu Toussaint

The 1MW power of the neutral beam injector (NBI) enters the plasma of the Tokamak a Configuration Variable (TCV) through a duct. The original beam propagation model predicted a maximal heat flux on the internal faces of the duct below 350 kW/m(2), leading ...

2020

Hydration development and thermal performance of calcium sulphoaluminate cements containing microencapsulated phase change materials

Diana Londoño Zuluaga

Microencapsulated phase change materials (MPCM) incorporated in buildings walls can reduce indoor temperature fluctuations, conserving energy and enhancing thermal comfort. MPCM were incorporated in calcium sulphoaluminate cement (CSA) at high concentratio ...

Pergamon-Elsevier Science Ltd2020

Disruption mitigation efficiency and scaling with thermal energy fraction on ASDEX Upgrade

Basil Duval, Umar Sheikh

Disruption mitigation remains a critical and unresolved issue for ITER. Measurement uncertainties preventing quantification of a system's efficacy remains a significant hurdle in producing and validating a viable disruption mitigation system. This study ad ...

IOP Publishing Ltd2020