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Modeling phase separation in nonstoichiometric silica

Publications associées (33)

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Modelling of Surface Catalytic Reaction Systems using the Concept of Extents

Gas-solid catalytic reaction systems depend on a combination of several dynamic eects, such as mass transfer, chemisorption and surface reactions taking place simultaneously. In this master thesis, the extension of the method of extent-based model identica ...

2014

We investigate how natural curvature affects the configuration of a thin elastic rod suspended under its own weight, as when a single strand of hair hangs under gravity. We combine precision desktop experiments, numerics, and theoretical analysis to explor ...

American Physical Society2014

Phase compositions and equilibria in the CaO-Al2O3-Fe2O3-SO3 system, for assemblages containing ye'elimite and ferrite Ca-2(Al,Fe)O-5

Karen Scrivener

Phase equilibria in the CaO-Al2O3-Fe2O3-SO3 system have been studied, mainly at 1325 degrees C. In particular the solid solution compositions of ye'elimite Ca-4(Al6O12)SO4 and brownmillerite (C-2(A,F)) phases have been analysed and used to estimate the com ...

Elsevier2013

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Reaction systems are typically represented by first-principles models that describe the evolution of the states (typically concentrations, volume and temperature) by means of conservation equations of differential nature and constitutive equations of algeb ...

Ieee Computer Soc2012

Free energy methods in coupled electron ion Monte Carlo

Elisa Liberatore

Recent progress in simulation methodologies and in computer power allow first-principles simulations of condensed systems with Born–Oppenheimer electronic energies obtained by quantum Monte Carlo methods. Computing free energies and therefore getting a qua ...

Taylor & Francis2011

Mass Spectrometric and Theoretical Study of Polyiodides: The Connection between Solid State, Solution, and Gas Phases

Paul Joseph Dyson, Zhaofu Fei, Michael Groessl

Polyiodides have been transferred intact from acetonitrile solution to the gas phase and analyzed by mass spectrometry. A range of ions were observed, including I-11, I-13, and I-15, which have higher iodine/iodide ratios than any previously ...

2011

Liquid-solid transition in fully ionized hydrogen at ultra-high pressures

Elisa Liberatore

We study the phase diagram of an effective ion model of fully ionized hydrogen at ultra-high pressure. We assume that the protons interact with a screened Coulomb potential derived from a static linear response theory. This model accurately reproduces the ...

American Institute of Physics2011

Phase separation in binary eye lens protein mixtures

Nicolas Dorsaz, Giuseppe Foffi

Liquid–liquid phase separation occurs in young mammalian eye lenses and in concentrated solutions of isolated eye lens proteins, and has been linked to some forms of cataract. Here we study theoretically the protein compositions and cloud temperatures of t ...

2011

Extents of Reaction and Mass Transfer in the Analysis of Chemical Reaction Systems

Nirav Pravinbhai Bhatt

Monitoring, control and optimization of chemical reaction systems often requires in-depth analysis of the underlying reaction mechanisms. This dissertation investigates appropriate tools that facilitate the analysis of homogeneous and gas-liquid reaction s ...

EPFL2011

Superfluid to Bose-Glass Transition in a 1D Weakly Interacting Bose Gas

Vincenzo Savona, Luca Fontanesi

We study the one-dimensional Bose gas in spatially correlated disorder at zero temperature, using an extended density-phase Bogoliubov method. We analyze, in particular, the decay of the one-body density matrix and the behavior of the Bogoliubov excitation ...

American Physical Society2009