Patrice Chartrand
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View article: Thermodynamics of the Rbf-Uf4 System: A Potential Fuel Candidate for Molten Salt Reactors
Thermodynamics of the Rbf-Uf4 System: A Potential Fuel Candidate for Molten Salt Reactors Open
View article: Thermodynamic Model for High-Temperature Corrosion Applications: The (NaCl + Na<sub>2</sub>CO<sub>3</sub> + Na<sub>2</sub>SO<sub>4</sub> + Na<sub>2</sub>S<sub>2</sub>O<sub>7</sub> + Na<sub>2</sub>CrO<sub>4</sub> + Na<sub>2</sub>Cr<sub>2</sub>O<sub>7</sub> + Na<sub>2</sub>MoO<sub>4</sub> + Na<sub>2</sub>Mo<sub>2</sub>O<sub>7</sub> + Na<sub>2</sub>O + KCl + K<sub>2</sub>CO<sub>3</sub> + K<sub>2</sub>SO<sub>4</sub> + K<sub>2</sub>S<sub>2</sub>O<sub>7</sub> + K<sub>2</sub>CrO<sub>4</sub> + K<sub>2</sub>Cr<sub>2</sub>O<sub>7</sub> + K<sub>2</sub>MoO<sub>4</sub> + K<sub>2</sub>Mo<sub>2</sub>O<sub>7</sub> + K<sub>2</sub>O) System
Thermodynamic Model for High-Temperature Corrosion Applications: The (NaCl + Na<sub>2</sub>CO<sub>3</sub> + Na<sub>2</sub>SO<sub>4</sub> + Na<sub>2</sub>S<sub>2</sub>O<sub>7</sub> + Na<sub>2</sub>CrO<sub>4</sub> + Na<sub>2</sub>Cr<sub>2</sub>O<sub>7</sub> + Na<sub>2</sub>MoO<sub>4</sub> + Na<sub>2</sub>Mo<sub>2</sub>O<sub>7</sub> + Na<sub>2</sub>O + KCl + K<sub>2</sub>CO<sub>3</sub> + K<sub>2</sub>SO<sub>4</sub> + K<sub>2</sub>S<sub>2</sub>O<sub>7</sub> + K<sub>2</sub>CrO<sub>4</sub> + K<sub>2</sub>Cr<sub>2</sub>O<sub>7</sub> + K<sub>2</sub>MoO<sub>4</sub> + K<sub>2</sub>Mo<sub>2</sub>O<sub>7</sub> + K<sub>2</sub>O) System Open
Funding Information: Ms. Sara Benalia thanks the Canada Research Chair in Computational Thermodynamics for High Temperature Sustainable Processes held by Prof. Patrice Chartrand, and the Johan Gadolin Process Chemistry Centre for the 5 mon…
View article: Critical Evaluation and Calorimetric Study of the Thermodynamic Properties of Na2CrO4, K2CrO4, Na2MoO4, K2MoO4, Na2WO4, and K2WO4
Critical Evaluation and Calorimetric Study of the Thermodynamic Properties of Na2CrO4, K2CrO4, Na2MoO4, K2MoO4, Na2WO4, and K2WO4 Open
This paper evaluates crystallographic data and thermodynamic properties for sodium chromate, potassium chromate, sodium molybdate, potassium molybdate (K2MoO4), sodium tungstate, and potassium tungstate collected from the literature. A tho…
View article: Critical Evaluation of the Thermodynamic Properties of Na2Cr2O7, K2Cr2O7, Na2Mo2O7, K2Mo2O7, Na2W2O7, and K2W2O7
Critical Evaluation of the Thermodynamic Properties of Na2Cr2O7, K2Cr2O7, Na2Mo2O7, K2Mo2O7, Na2W2O7, and K2W2O7 Open
This study outlines an extensive investigation of crystallographic data and thermodynamic properties (including solid-solid transition and fusion) for sodium dichromate, potassium dichromate, sodium dimolybdate, potassium dimolybdate, sodi…
View article: Thermodynamic Evaluation and Optimization of the As–Cd, As–Zn and As–Cd–Zn Systems
Thermodynamic Evaluation and Optimization of the As–Cd, As–Zn and As–Cd–Zn Systems Open
In this work, a critical evaluation of all available phase diagrams and thermodynamic data for the As–Cd, As–Zn and As–Cd–Zn systems has been performed and thermodynamic assessments over the whole composition ranges are presented using the…
View article: Thermodynamic evaluation and optimization of the As–Co, As–Fe and As–Fe–S systems
Thermodynamic evaluation and optimization of the As–Co, As–Fe and As–Fe–S systems Open
A critical evaluation of all available phase diagram and thermodynamic data for the As–Co and As–Fe binary systems as well as the As–Fe–S ternary system has been performed and thermodynamic assessments over the whole composition ranges are…
View article: Experimental and thermodynamic modeling of Al2O3 corundum and TiO2 rutile structures forming on Ti-6Al-4V powder during oxidation
Experimental and thermodynamic modeling of Al2O3 corundum and TiO2 rutile structures forming on Ti-6Al-4V powder during oxidation Open
View article: Thermodynamic Evaluation and Optimization of the Ag-As-S system
Thermodynamic Evaluation and Optimization of the Ag-As-S system Open
A critical evaluation of all available phase diagram and thermodynamic data has been performed for Ag-As, Ag-S, As-S and Ag-As-S systems, including a detailed review of the gaseous species involved in the As-S system. Thermodynamic assessm…
View article: Generic Bond Energy Formalism within the Modified Quasichemical Model for Multicomponent Solutions
Generic Bond Energy Formalism within the Modified Quasichemical Model for Multicomponent Solutions Open
View article: Experimental and Modeling of Thermodynamics of Al <sub>2</sub>O <sub>3</sub> Corundum and TiO <sub>2</sub> Rutile Structures Forming on Ti-6Al-4V Powder During Oxidation
Experimental and Modeling of Thermodynamics of Al <sub>2</sub>O <sub>3</sub> Corundum and TiO <sub>2</sub> Rutile Structures Forming on Ti-6Al-4V Powder During Oxidation Open
View article: Thermodynamic Evaluation and Optimization of the As-Co, As-Fe and As-Fe-S Systems
Thermodynamic Evaluation and Optimization of the As-Co, As-Fe and As-Fe-S Systems Open
View article: Modeling the Coal Tar Pitch Primary Carbonization Process
Modeling the Coal Tar Pitch Primary Carbonization Process Open
The properties of the carbon materials obtained as the final product of coal tar pitch carbonization process are a consequence of the type of chemical and physical phenomena occurring through the process. A new simplified approach for mode…
View article: The modified quasichemical model in the Distinguishable-Pair Approximation for multicomponent solutions
The modified quasichemical model in the Distinguishable-Pair Approximation for multicomponent solutions Open
The Modified Quasichemcial Model in the Distinguishable-Pair Approximation (MQMDPA) for manifold short-range orders in liquids has been successfully extended to multicomponent solutions. The extension is conducted by means of the geometric…
View article: Phase equilibria -- thermal conductivity relationship within multicomponent Phase Change Materials from 273 K up to above the melting temperature
Phase equilibria -- thermal conductivity relationship within multicomponent Phase Change Materials from 273 K up to above the melting temperature Open
Among all the properties required for the design of the next generation of PCM (density, heat capacity, thermal expansion, latent energy, volume change upon melting, corrosion rate, etc.) the thermal transport properties are by far the lea…
View article: Thermodynamic and Structural Properties of CuCrO<sub>2</sub> and CuCr<sub>2</sub>O<sub>4</sub>: Experimental Investigation and Phase Equilibria Modeling of the Cu–Cr–O System
Thermodynamic and Structural Properties of CuCrO<sub>2</sub> and CuCr<sub>2</sub>O<sub>4</sub>: Experimental Investigation and Phase Equilibria Modeling of the Cu–Cr–O System Open
International audience
View article: Generic energy formalism for reciprocal quadruplets within the two-sublattice quasichemical model
Generic energy formalism for reciprocal quadruplets within the two-sublattice quasichemical model Open
View article: First-Principles Determination of Transference Numbers in Cryolitic Melts
First-Principles Determination of Transference Numbers in Cryolitic Melts Open
International audience
View article: Table of Contents
Table of Contents Open
View article: Temperature and oxygen adsorption coupling effects upon the surface tension of liquid metals
Temperature and oxygen adsorption coupling effects upon the surface tension of liquid metals Open
View article: Study of the Partial Charge Transport Properties in the Molten Alumina via Molecular Dynamics
Study of the Partial Charge Transport Properties in the Molten Alumina via Molecular Dynamics Open
Knowing the charge-transport properties of molten oxides is essential for industrial applications, particularly when attempting to control the energy required to separate a metal from its ore concentrate. Nowadays, in the context of a dras…
View article: Why some carbons may or may not graphitize? The point of view of thermodynamics
Why some carbons may or may not graphitize? The point of view of thermodynamics Open
RÉSUMÉ: Not all carbons graphitize in equal measure. Some will develop a structure which approaches the one of perfect graphite (graphitizable carbons) upon heat treatment, while others will not (non-graphitizable carbons). The present wor…
View article: Experimental Determination of the Thermal Diffusivity of α-Cryolite up to 810 K and Comparison with First Principles Predictions
Experimental Determination of the Thermal Diffusivity of α-Cryolite up to 810 K and Comparison with First Principles Predictions Open
In aluminum electrolysis cells, a ledge of frozen electrolyte is formed on the sides. Controlling the side ledge thickness (a few centimeters) is essential to maintain a reasonable life span of the electrolysis cell, as the ledge acts as a…
View article: Thermal conductivity of the side ledge in aluminium electrolysis cells: compounds as a function of temperature and grain size
Thermal conductivity of the side ledge in aluminium electrolysis cells: compounds as a function of temperature and grain size Open
In aluminium electrolysis cells, a ledge of frozen electrolyte is formed, attached to the sides of the cell. The control of the side ledge thickness is essential in ensuring a reasonable lifetime for the cells. Numerical modelling of the s…
View article: Important Variation in Vibrational Properties of LiFePO4 and FePO4 Induced by Magnetism
Important Variation in Vibrational Properties of LiFePO4 and FePO4 Induced by Magnetism Open
View article: FactSage thermochemical software and databases, 2010–2016
FactSage thermochemical software and databases, 2010–2016 Open
The FactSage computer package consists of a series of information, calculation and manipulation modules that enable one to access and manipulate compound and solution databases. With the various modules running under Microsoft Windows (R) …