Yang, H., Thu Phan, A., Gheribi, A. E., & Chartrand, P. (2025). Extending the kinetic theory-based thermal conductivity model to reciprocal molten salt mixtures with short-range ordering via the Modified Quasi-chemical Model in the Quadruplet Approximation. Solar Energy Materials and Solar Cells, 292, 113724.
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Chartrand, Patrice

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Chartrand, Patrice
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Patrice Chartrand (226)
- Articles de revue (155)
- 2025
Article de revue Article de revue Siblani, M. M., Ollivier, M., Chartrand, P., & Favergeon, L. (2025). Modeling the Oxidation Kinetics of Ti-6Al-4 V Spherical Powder at High Temperatures. High Temperature Corrosion of Materials, 102(4), 32 pages.Article de revue Bertrand, M., Brenner Johnson, N., Jin, L., Bates, A., Chartrand, P., Torres-Castro, L., & Dollé, M. (2025). Unveiling the thermite-driven lithium fire ignition in solid-state batteries. Joule, 101953.
- 2024
Article de revue Gheribi, A. E., Phan, A. T., Yang, H., Gallagher, R. C., & Chartrand, P. (2024). The role of the local structure on the thermal transport within dissociated and complexed Molten salt mixtures. Journal of Molecular Liquids, 408, 125239 (15 pages).
- 2023
Article de revue Yang, H., Gallagher, R. C., Phan, A.-T., Chartrand, P., & Gheribi, A. E. (2023). A predictive approach for the compositional and temperature representation of thermal conductivity in multicomponent molten salt systems for advanced energy applications. Materials Today Energy, 38, 23 pages.Article de revue Benalia, S., Tesfaye, F., Lindberg, D., Sibarani, D., Hupa, L., Chartrand, P., & Robelin, C. (2023). Critical Evaluation and Calorimetric Study of the Thermodynamic Properties of Na₂CrO4, K2CrO4, Na2MoO4, K2MoO4, Na2WO4 and K2WO4. Journal of Physical and Chemical Reference Data, 52(4), 28 pages.Article de revue Benalia, S., Chartrand, P., & Robelin, C. (2023). Critical Evaluation of the Thermodynamic Properties of Na²Cr²O⁷, K²Cr²O⁷, Na²Mo²O⁷, K²Mo²O⁷, Na²W²O⁷, and K²W²O⁷. Journal of Physical and Chemical Reference Data, 52(4), 043103 (23 pages).Article de revue Yang, H., Gallagher, R., Chartrand, P., & Gheribi, A. E. (2023). Development of a molten salt thermal conductivity model and database for advanced energy systems. Solar Energy, 256, 158-178.Article de revue Gheribi, A. E., Phan, A. T., & Chartrand, P. (2023). Electrochemical description of the interfacial tension between the liquid metal pad and cryolitic melts in industrial electrolysis cells. Journal of Molecular Liquids, 369, 12 pages.Article de revue Siblani, M. M., Ollivier, M., Favergeon, L., & Chartrand, P. (2023). Experimental and thermodynamic modeling of Al₂O₃ corundum and TiO₂ rutile structures forming on Ti-6Al-4V powder during oxidation. Acta Materialia, 256, 15 pages.Article de revue Kidari, O., & Chartrand, P. (2023). Thermodynamic Evaluation and Optimization of the Ag-As-S system. Journal of Phase Equilibria and Diffusion, 44(2), 269-299.Article de revue Kidari, O., & Chartrand, P. (2023). Thermodynamic Evaluation and Optimization of the As–Cd, As–Zn and As–Cd–Zn Systems. Metallurgical and Materials Transactions B, 2023(5), 2793-2814.Article de revue Kidari, O., & Chartrand, P. (2023). Thermodynamic evaluation and optimization of the As–Co, As–Fe and As–Fe–S systems. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 82, 15 pages.Article de revue Benalia, S., Tesfaye, F., Lindberg, D., Hupa, L., Chartrand, P., & Robelin, C. (2023). Thermodynamic Model for High-Temperature Corrosion Applications: The (NaCl + Na₂CO₃ + Na₂SO₄ + Na₂S2O₇ + Na₂CrO₄ + Na₂Cr₂O₇ + Na₂MoO₄ + Na₂Mo₂O₇ + Na₂O + KCl + K₂CO₃ + K₂SO₄ + K₂S₂O₇ + K₂CrO₄ + K₂Cr₂O₇ + K₂MoO₄ + K₂Mo₂O₇ + K₂O) System. Industrial & Engineering Chemistry Research, 62(49), 21397-21427.Article de revue Phan, A. T., Gheribi, A. E., & Chartrand, P. (2023). Undissolved alumina in dynamic chunks piercing through the bath-metal interface in industrial aluminum electrolysis cells. Chemical Engineering Science, 276, 118799 (14 pages).
- 2022
Article de revue Phan, A. T., Gheribi, A. E., & Chartrand, P. (2022). A reliable framework to predict the temperature dependent thermal conductivity of multicomponent salt based PCMs in both solid and liquid state. Solar Energy, 233, 309-325.Article de revue Gheribi, A. E., Phan, A. T., & Chartrand, P. (2022). A theoretical framework for reliable predictions of thermal conductivity of multicomponent molten salt mixtures: KCl-NaCl-MgCl2 as a case study. Solar Energy Materials and Solar Cells, 236, 111478 (9 pages).Article de revue Hosseini, M. S., & Chartrand, P. (2022). Modeling the Coal Tar Pitch Primary Carbonization Process. Fuels, 3(4), 698-729.
- 2021
Article de revue Hosseini, M. S., & Chartrand, P. (2021). Critical assessment of thermodynamic properties of important polycyclic aromatic hydrocarbon compounds (PAHs) in coal tar pitch at typical temperature ranges of the carbonization process. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 74, 25 pages.Article de revue Wang, K., & Chartrand, P. (2021). Generic energy formalism for reciprocal quadruplets within the two-sublattice quasichemical model. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 74, 12 pages.Article de revue Gheribi, A. E., Rouaut, G., & Chartrand, P. (2021). Mapping the Electronic Transference Number of Cryolitic Melts. Metallurgical and Materials Transactions B: Process Metallurgy and Materials Processing Science, 52(2), 586-589.Article de revue Schorne-Pinto, J., Chartrand, P., Barnabé, A., & Cassayre, L. (2021). Thermodynamic and Structural Properties of CuCrO2and CuCr2O4: Experimental Investigation and Phase Equilibria Modeling of the Cu-Cr-O System. Journal of Physical Chemistry C, 125(27), 15069-15084.
- 2020
Article de revue Phan, A. T., Gheribi, A. E., & Chartrand, P. (2020). Coherent and para-equilibrium phase transformations in Mn-doped-LiFePO₄ cathode materials: Implications for lithium ion battery performances. Journal of Alloys and Compounds, 838, 18 pages.Article de revue Gheribi, A. E., Salanne, M., Zanghi, D., Machado, K., Bessada, C., & Chartrand, P. (2020). First-Principles Determination of Transference Numbers in Cryolitic Melts. Industrial & Engineering Chemistry Research, 59(29), 13305-13314.Article de revue Rouaut, G., Gheribi, A. E., & Chartrand, P. (2020). Modelling the electronic conduction in metals-molten salts mixtures. Application to cryolitic melts in Hall-Heroult cells. Journal of Fluorine Chemistry, 237, 109597 (11 pages).Article de revue Hosseini, M. S., & Chartrand, P. (2020). Thermodynamics and phase relationship of carbonaceous mesophase appearing during coal tar pitch carbonization. Fuel, 275, 117899 (9 pages).
- 2019
Article de revue Chartrand, P., & Pelton, A. (2019). A thermodynamic model for molten salt-water solutions Application to a thermodynamic optimization of the Ca(NO₃)₂-KNO₃-H₂O system. Journal of Chemical Thermodynamics, 128, 225-243.Article de revue Vermot des Roches, M., Gheribi, A. E., & Chartrand, P. (2019). A versatile multicomponent database for the surface tension of liquid metals. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 65, 326-339.Article de revue Gheribi, A. E., Fini, M. F., Rivoaland, L., Lombard, D., Soucy, G., & Chartrand, P. (2019). Cathodic Wear by Delamination of the Al₄C₃ Layer During Aluminium Electrolysis. Metallurgical and Materials Transactions B: Process Metallurgy and Materials Processing Science, 51(1), 161-172.Article de revue Phan, A. T., Gheribi, A. E., & Chartrand, P. (2019). Coherent phase equilibria of systems with large lattice mismatch. Physical Chemistry Chemical Physics, 21(20), 10808-10822.Article de revue Jin, L., Wang, J., Rousselot, S., Dollé, M., & Chartrand, P. (2019). Experimental and Thermodynamic Study of Li-O and Li₂O-P₂O₅ Systems. Canadian Journal of Chemical Engineering, 97(8), 2234-2241.Article de revue Sauriol, P., Li, D., Hadidi, L., Villazon, H., Jin, L., Yari, B., Gauthier, M., Dolle, M., Chartrand, P., Kasprzak, W., Liang, G., & Patience, G. S. (2019). Fe³⁺ reduction during melt-synthesis of LiFePO₄. Canadian Journal of Chemical Engineering, 97(8), 2196-2210.Article de revue Wang, J., Zhang, Z., Zhang, Y.-N., Han, D., Jin, L., Sheng, L., Chartrand, P., & Medraj, M. (2019). Investigation on metallic glass formation in Mg-Zn-Sr ternary system combined with the CALPHAD method. Materials Letters, 256, 4 pages.Article de revue Villazon, H., Sauriol, P., Rousselot, S., Talebi-Esfandarani, M., Bibienne, T., Gauthier, M., Liang, G., Dollé, M., & Chartrand, P. (2019). Melt-Synthesis of LiFePO4 over a Metallic Bath. Canadian Journal of Chemical Engineering, 97(8), 2287-2298.Article de revue Phan, A. T., Gheribi, A. E., & Chartrand, P. (2019). Modeling of coherent phase transformation and particle size effect in LiFePO4 cathode material and application to the charging/discharging process. Electrochimica Acta, 295, 632-644.Article de revue Phan, A. T., Gheribi, A. E., & Chartrand, P. (2019). Modelling of Phase Equilibria of LiFePO₄-FePO₄ Olivine Join for Cathode Material. Canadian Journal of Chemical Engineering, 97(8), 2224-2233.Article de revue Gheribi, A. E., Vermot des Roches, M., & Chartrand, P. (2019). Modelling the surface tension of liquid metals as a function of oxygen content. Journal of Non-Crystalline Solids, 505, 154-161.Article de revue Patience, G. S., Chaouki, J., Latifi, M., Dollé, M., Chartrand, P., Kasprzak, W., Sun, X., Sham, T.-K., Liang, G., & Sauriol, P. (2019). Piloting Melt Synthesis and Manufacturing Processes to Produce C-LiFePO₄: Preface. Canadian Journal of Chemical Engineering, 97(8), 2189-2195.Article de revue Gheribi, A. E., Serva, A., Salanne, M., Machado, K., Zanghi, D., Bessada, C., & Chartrand, P. (2019). Study of the Partial Charge Transport Properties in the Molten Alumina via Molecular Dynamics. ACS Omega, 4(5), 8022-8030.Article de revue Gheribi, A. E., & Chartrand, P. (2019). Temperature and oxygen adsorption coupling effects upon the surface tension of liquid metals. Scientific Reports, 9(1), 7113 (9 pages).Article de revue Wang, K., Robelin, C., Jin, L., Zeng, X., & Chartrand, P. (2019). Thermodynamic description of the K, Be//F, Cl salt system with first-principles calculations. Journal of Molecular Liquids, 292, 20 pages.Article de revue Lu, G., Robelin, C., Chartrand, P., He, M., & Wang, K. (2019). Thermodynamic evaluation and optimization of the (LiCl + NaCl + KCl + MgCl2 + CaCl2 + CeCl3) system. Fluid Phase Equilibria, 487, 83-97.Article de revue Ouzilleau, P., Gheribi, A. E., Chartrand, P., Soucy, G., & Monthioux, M. (2019). Why some carbons may or may not graphitize? The point of view of thermodynamics. Carbon, 149, 419-435.
- 2018
Article de revue Wang, K., & Chartrand, P. (2018). A thermodynamic description for water, hydrogen fluoride and hydrogen dissolutions in cryolite-base molten salts. Physical Chemistry Chemical Physics, 20(25), 17324-17341.Article de revue Deschênes-Allard, F., Robelin, C., Zanghi, D., Bouvet, S., Ory, S., Véron, E., Machado, K., Bessada, C., & Chartrand, P. (2018). Experimental and thermodynamic assessment of the fluoride-rich region in the Cu-O-F system. Thermochimica Acta, 663, 194-214.Article de revue Poncsák, S., Gheribi, A. E., Kiss, L. I., Chartrand, P., Guérard, S., & Bilodeau, J. F. (2018). Experimental determination of the thermal diffusivity of industrial grade synthetic cryolite between 200 and 850 °C and comparison with theoretical predictions. Journal of Thermal Analysis and Calorimetry, 135(4), 2059-2068.Article de revue Gheribi, A. E., Machado, K., Zanghi, D., Bessada, C., Salanne, M., & Chartrand, P. (2018). On the determination of ion transport numbers in molten salts using molecular dynamics. Electrochimica Acta, 274, 266-273.Article de revue Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2018). Prediction of CO2/CO formation from the (primary) anode process in aluminium electrolysis using an electrothermodynamic model (for coke crystallites). Electrochimica Acta, 259, 916-929.Article de revue Pilote, L., Gheribi, A. E., & Chartrand, P. (2018). Study of the solubility of Pb, Bi and Sn in aluminum by mixed CALPHAD/DFT methods: Applicability to aluminum machining alloys. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 61, 275-287.Article de revue Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2018). Thermodynamic description of graphitizable carbons and the irreversible graphitization process. Carbon, 132, 556-564.
- 2017
Article de revue Gheribi, A. E., Poncsák, S., Kiss, L., Guérard, S., Bilodeau, J.-F., & Chartrand, P. (2017). Experimental determination of the thermal diffusivity of α-cryolite up to 810 K and comparison with first principles predictions. ACS Omega, 2(5), 2224-2230.Article de revue Jung, I.-H., Zhu, Z., Kim, J., Wang, J., Chartrand, P., & Pelton, A. (2017). Recent Progress on the Factsage Thermodynamic Database for New Mg Alloy Development. JOM, 69(6), 1052-1059.Article de revue Gheribi, A. E., & Chartrand, P. (2017). Thermal Conductivity of Compounds Present in the Side Ledge in Aluminium Electrolysis Cells. JOM, 69(11), 2412-2417.Article de revue Gheribi, A. E., Poncsák, S., Guérard, S., Bilodeau, J.-F., Kiss, L., & Chartrand, P. (2017). Thermal conductivity of the sideledge in aluminium electrolysis cells: Experiments and numerical modelling. Journal of Chemical Physics, 146(11), 10 pages.
- 2016
Article de revue Mezbahul-Islam, M., Bélanger, F., Chartrand, P., Jung, I.-H., & Coursol, P. (2016). Application of thermodynamic calculations to the pyro-refining process for production of high purity bismuth. Metallurgical and Materials Transactions B, 48(1), 73-90.Article de revue Ouzilleau, P., Gheribi, A. E., Lindberg, D. K., & Chartrand, P. (2016). A Size-Dependent Thermodynamic Model for Coke Crystallites: The Carbon-Sulfur System Up to 2500 K (2227 °C). Metallurgical and Materials Transactions B, 47(3), 1817-1831.Article de revue Kang, Y.-B., & Chartrand, P. (2016). Calculation of property diagram as a zero-phase fraction line of auxiliary phase. Calphad-Computer Coupling of Phase Diagrams and Thermochemistry, 55, 69-75.Article de revue Bale, C. W., Bélisle, È., Chartrand, P., Decterov, S., Eriksson, G., Gheribi, A. E., Hack, K., Jung, I. H., Kang, Y. B., Melançon, J., Pelton, A., Petersen, S., Robelin, C., Sangster, J., Spencer, P., & Van Ende, M. A. (2016). FactSage thermochemical software and databases, 2010–2016. Calphad, 54, 35-53.Article de revue Gheribi, A. E., Salanne, M., & Chartrand, P. (2016). Formulation of Temperature-Dependent Thermal Conductivity of NaF, -Na3AlF6, Na5Al3F14, and Molten Na3AlF6Supported by Equilibrium Molecular Dynamics and Density Functional Theory. Journal of Physical Chemistry C, 120(40), 22873-22886.Article de revue Seifitokaldani, A., Gheribi, A. E., Phan, A. T., Chartrand, P., & Dollé, M. (2016). Important variation in vibrational properties of LiFePO4 and FePO4 induced by magnetism. Scientific Reports, 6(1), 1-10.Article de revue Talebi-Esfandarani, M., Rousselot, S., Jin, L., Bibienne, T., Chartrand, P., Sauriol, P., Seifitokaldani, A., & Dollé, M. (2016). Melt Synthesis of LiFePO4: Fundamentals, Versatility and Application. Meeting abstracts, MA2016-02(3), 503-503.Article de revue Talebi-Esfandarani, M., Rousselot, S., Jin, L., Bibienne, T., Gauthier, M., Chartrand, P., Sauriol, P., Seifitokaldani, A., & Dollé, M. (2016). On the Versatility of Melt-Synthesis of LiFePO4 cathode Material. Meeting abstracts, MA2016-03(2), 1022-1022.Article de revue Bale, C. W., Bélisle, È., Chartrand, P., Decterov, S., Eriksson, G., Gheribi, A. E., Hack, K., Jung, I. H., Kang, Y. B., Melançon, J., Pelton, A., Petersen, S., Robelin, C., Sangster, J., Spencer, P., & Van Ende, M. A. (2016). Reprint of: FactSage thermochemical software and databases, 2010-2016 (vol 54, pg 35, 2016). CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 55(1), 1-19.Article de revue Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2016). The graphitization temperature threshold analyzed through a second-order structural transformation. Carbon, 109, 896-908.Article de revue Gheribi, A. E., & Chartrand, P. (2016). Thermal conductivity of molten salt mixtures: theoretical model supported by equilibrium molecular dynamics simulations. Journal of Chemical Physics, 144(8), 12 pages.Article de revue Wang, K., Robelin, C., Wu, Z., Li, C., Xie, L., & Chartrand, P. (2016). Thermodynamic description of the AgCl-CoCl₂-InCl₃-NaCl system. Journal of Alloys and Compounds, 663, 885-898.Article de revue Kang, Z., Robelin, C., He, M., & Chartrand, P. (2016). Thermodynamic evaluation and optimization of the (KF + YF₃), (KCl + YCl₃) and (YF₃ + YbF₃) binary systems. Journal of Chemical Thermodynamics, 98, 242-253.Article de revue Seifitokaldani, A., Gheribi, A. E., Dollé, M., & Chartrand, P. (2016). Thermophysical properties of titanium and vanadium nitrides: Thermodynamically self-consistent approach coupled with density functional theory. Journal of Alloys and Compounds, 662, 240-251.Article de revue Gheribi, A. E., Harvey, J.-P., Bélisle, È., Robelin, C., Chartrand, P., Pelton, A., Bale, C. W., & Le Digabel, S. (2016). Use of a biobjective direct search algorithm in the process design of material science applications. Optimization and Engineering, 17(1), 27-45.
- 2015
Article de revue Gheribi, A. E., Seifitokaldani, A., Wu, P., & Chartrand, P. (2015). An ab initio method for the prediction of the lattice thermal transport properties of oxide systems: Case study of Li₂O and K₂O. Journal of Applied Physics, 118(14), 145101 (5 pages).Article de revue Ouzilleau, P., Gheribi, A. E., Eriksson, G., Lindberg, D. K., & Chartrand, P. (2015). A size-dependent thermodynamic model for coke crystallites: The carbon-hydrogen system up to 2500 K. Carbon, 85, 99-118.Article de revue Gheribi, A. E., & Chartrand, P. (2015). Effect of grain boundaries on the lattice thermal transport properties of insulating materials: A predictive model. Journal of the American Ceramic Society, 98(3), 888-897.Article de revue Wang, J., Zhang, Y.-N., Hudon, P., Chartrand, P., Jung, I.-H., & Medraj, M. (2015). Experimental determination of the phase equilibria in the Mg-Zn-Sr ternary system. Journal of Materials Science, 50(23), 7636-7646.Article de revue Wang, J., Zhang, Y.-N., Hudon, P., Jung, I.-H., Chartrand, P., & Medraj, M. (2015). Experimental study of the crystal structure of the Mg₁₅-xZnxSr₃ ternary solid solution in the Mg-Zn-Sr system at 300 degrees C. Materials & Design, 86, 305-312.Article de revue Wang, J., Zhang, Y.-N., Hudon, P., Jung, I.-H., Medraj, M., & Chartrand, P. (2015). Experimental study of the phase equilibria in the Mg-Zn-Ag ternary system at 300 °C. Journal of Alloys and Compounds, 639, 593-601.Article de revue Gheribi, A. E., Gardarein, J. L., Autissier, E., Rigollet, F., Richou, M., & Chartrand, P. (2015). Experimental study of the thermal conductivity of sintered tungsten: Evidence of a critical behaviour with porosity. Applied Physics Letters, 107(9), 094102 (4 pages).Article de revue Gheribi, A. E., Salanne, M., & Chartrand, P. (2015). Thermal transport properties of halide solid solutions: Experiments vs equilibrium molecular dynamics. Journal of Chemical Physics, 142(12).Article de revue Wang, J., Chartrand, P., & Jung, I.-H. (2015). Thermodynamic description of the Ag-(Ca, Li, Zn) and Ca-(In, Li) binary systems. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 50, 68-81.Article de revue Robelin, C., Chartrand, P., & Pelton, A. (2015). Thermodynamic evaluation and optimization of the (NaNO₃ + KNO₃ + Na₂SO₄ + K₂SO₄) system. Journal of Chemical Thermodynamics, 83, 12-26.
- 2014
Article de revue Gheribi, A. E., Gardarein, J.-L., Rigollet, F., & Chartrand, P. (2014). Evidence of second order transition induced by the porosity in the thermal conductivity of sintered metals. APL Materials, 2(7), 076105 (6 pages).Article de revue Wang, J., Hudon, P., Kevorkov, D., Chartrand, P., Jung, I.-H., & Medraj, M. (2014). Experimental and thermodynamic study of the Mg-Sn-In-Zn quaternary system. Journal of Alloys and Compounds, 588, 75-95.Article de revue Kevorkov, D., Medraj, M., Aljarrah, M., Li, J., Essadiqi, E., Chartrand, P., & Fuerst, C. (2014). Experimental study of the Al-Mg-Sr phase diagram at 400°C. Journal of Metallurgy, 2014, 1-6.Article de revue Gheribi, A. E., Corradini, D., Dewan, L., Chartrand, P., Simon, C., Madden, P. A., & Salanne, M. (2014). Prediction of the thermophysical properties of molten salt fast reactor fuel from first-principles. Molecular Physics, 112(9-10), 1306-1312.Article de revue Gheribi, A. E., Torres, J. A., & Chartrand, P. (2014). Recommended values for the thermal conductivity of molten salts between the melting and boiling points. Solar Energy Materials and Solar Cells, 126, 11-25.Article de revue Gheribi, A. E., Poncsák, S., St-Pierre, R., Kiss, L. I., & Chartrand, P. (2014). Thermal conductivity of halide solid solutions: Measurement and prediction. Journal of Chemical Physics, 141(10), 12-12.Article de revue Wang, J., Hudon, P., Kevorkov, D., Chartrand, P., Jung, I.-H., & Medraj, M. (2014). Thermodynamic and experimental study of the Mg-Sn-Ag-In quaternary system. Journal of Phase Equilibria and Diffusion, 35(3), 284-313.Article de revue Cao, Z. M., Xie, W., Chartrand, P., Wei, S. H., Du, G. W., & Qiao, Z. Y. (2014). Thermodynamic assessment of the Bi-alkali metal (Li, Na, K, Rb) systems using the modified quasichemical model for the liquid phase. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 46, 159-167.Article de revue Wang, J., Han, J., Jung, I.-H., Bairos, D., & Chartrand, P. (2014). Thermodynamic optimizations on the binary Li-Sn system and ternary Mg-Sn-Li system. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 47, 100-113.
- 2013
Article de revue Jin, L., Kevorkov, D., Medraj, M., & Chartrand, P. (2013). Al-Mg-RE (RE = La, Ce, Pr, Nd, Sm) systems: Thermodynamic evaluations and optimizations coupled with key experiments and Miedema's model estimations. Journal of Chemical Thermodynamics, 58, 166-195.Article de revue Harvey, J.-P., Eriksson, G., Orban, D., & Chartrand, P. (2013). Global Minimization of the Gibbs Energy of Multicomponent Systems Involving the Presence of Order/Disorder Phase Transitions. American Journal of Science, 313(3), 199-241.Article de revue Gheribi, A. E., Le Digabel, S., Audet, C., & Chartrand, P. (2013). Identifying optimal conditions for magnesium based alloy design using the Mesh Adaptive Direct Search algorithm. Thermochimica Acta, 559, 107-110.Article de revue Nasiri, A. M., Chartrand, P., Weckman, D. C., & Zhou, N. Y. (2013). Thermochemical analysis of phases formed at the interface of a Mg alloy-Ni-plated steel joint during laser brazing. Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science, 44(4), 1937-1946.Article de revue Robelin, C., & Chartrand, P. (2013). Thermodynamic evaluation and optimization of the (NaF + AlF₃ + CaF₂ + BeF₂ + Al₂O₃ + BeO) system. Journal of Chemical Thermodynamics, 57, 387-403.Article de revue Wang, J., Miao, N., Chartrand, P., & Jung, I.-H. (2013). Thermodynamic evaluation and optimization of the (Na + X) binary systems (X = Ag, Ca, In, Sn, Zn) using combined Calphad and first-principles methods of calculation. Journal of Chemical Thermodynamics, 66, 22-33.Article de revue Lambotte, G., & Chartrand, P. (2013). Thermodynamic modeling of the (Al2O3 + Na 2O), (Al2O3 + Na2O + SiO 2), and (Al2O3 + Na2O + AlF 3 + NaF) systems. Journal of Chemical Thermodynamics, 57, 306-334.Article de revue Lindberg, D., Backman, R., Chartrand, P., & Hupa, M. (2013). Towards a Comprehensive Thermodynamic Database for Ash-Forming Elements in Biomass and Waste Combustion - Current Situation and Future Developments. Fuel Processing Technology, 105, 129-141.
- 2012
Article de revue Ouzilleau, P., Robelin, C., & Chartrand, P. (2012). A Density Model Based on the Modified Quasichemical Model and Applied to the (NaCl + KCl + ZnCl₂) Liquid. Journal of Chemical Thermodynamics, 47, 171-176.Article de revue Gheribi, A. E., & Chartrand, P. (2012). Application of the CALPHAD method to predict the thermal conductivity in dielectric and semiconductor crystals. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 39, 70-79.Article de revue Coursol, P., Dufour, G., Coté, J., Chartrand, P., & Mackey, P. (2012). Application of thermodynamic models for better understanding and optimizing the hall-heroult process. JOM, 64(11), 1326-1333.Article de revue Jin, L., Kang, Y.-B., Chartrand, P., & Fuerst, C. D. (2012). Erratum: Thermodynamic evaluation and optimization of Al-La, Al-Ce, Al-Pr, Al-Nd and Al-Sm systems using the modified quasichemical model for liquids. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 38, 194-194.Article de revue Kevorkov, D., Zhang, Y. N., Shabnam, K., Chartrand, P., & Medraj, M. (2012). Experimental investigation of the phase equilibria of the Al-Ca-Zn system at 623 K. Journal of Alloys and Compounds, 539, 97-102.Article de revue Zhang, Y.-N., Kevorkov, D., Liu, X. D., Bridier, F., Chartrand, P., & Medraj, M. (2012). Homogeneity Range and Crystal Structure of the Ca₂Mg₅Zn₁₃ Compound. Journal of Alloys and Compounds, 523, 75-82.Article de revue Harvey, J.-P., Gheribi, A. E., & Chartrand, P. (2012). On the determination of the glass forming ability of AlxZr 1-x alloys using molecular dynamics, Monte Carlo simulations, and classical thermodynamics. Journal of Applied Physics, 112(7).Article de revue Kang, Y.-B., Jin, L., Chartrand, P., Gheribi, A. E., Bai, K., & Wu, P. (2012). Thermodynamic evaluations and optimizations of binary Mg-light Rare Earth (La, Ce, Pr, Nd, Sm) systems. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 38, 100-116.Article de revue Harvey, J.-P., Gheribi, A. E., & Chartrand, P. (2012). Thermodynamic Integration Based on Classical Atomistic Simulations to Determine the Gibbs Energy of Condensed Phases: Calculation of the Aluminum-Zirconium System. Physical Review B, 86(22).
- 2011
Article de revue Harvey, J.-P., Gheribi, A. E., & Chartrand, P. (2011). Accurate determination of the Gibbs energy of Cu-Zr melts using the thermodynamic integration method in Monte Carlo simulations. Journal of Chemical Physics, 135(8).Article de revue Robelin, C., & Chartrand, P. (2011). A viscosity model for the (NaF+AlF3+CaF2+Al 2O3) electrolyte. Journal of Chemical Thermodynamics, 43(5), 764-774.Article de revue Robelin, C., & Chartrand, P. (2011). Corrigendum to "Thermodynamic evaluation and optimization of the (NaCl + KCl + MgCl2 + CaCl2 + ZnCl2) system" [J. Chem. Thermodyn. 43(3) (2011) 377-391] (DOI:10.1016/j.jct.2010.10.013). Journal of Chemical Thermodynamics, 43(12), 2015-2015.Article de revue Jin, L., Kang, Y.-B., Chartrand, P., & Fuerst, C. D. (2011). Thermodynamic evaluation and optimization of Al-La, Al-Ce, Al-Pr, Al-Nd and Al-Sm systems using the Modified Quasichemical Model for liquids. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 35(1), 30-41.Article de revue Lambotte, G., & Chartrand, P. (2011). Thermodynamic evaluation and optimization of the Al2O 3-SiO2-AlF3-SiF4 reciprocal system using the modified quasichemical model. Journal of the American Ceramic Society, 94(11), 4000-4008.Article de revue Renaud, E., Robelin, C., Gheribi, A. E., & Chartrand, P. (2011). Thermodynamic evaluation and optimization of the Li, Na, K, Mg, Ca, Sr // F, Cl reciprocal system. Journal of Chemical Thermodynamics, 43(8), 1286-1298.Article de revue Robelin, C., & Chartrand, P. (2011). Thermodynamic evaluation and optimization of the (NaCl + KCl + MgCl 2 + CaCl2 + ZnCl2) system. Journal of Chemical Thermodynamics, 43(3), 377-391.Article de revue Lambotte, G., & Chartrand, P. (2011). Thermodynamic optimization of the (Na2O + SiO2 + NaF + SiF4) reciprocal system using the Modified Quasichemical Model in the Quadruplet Approximation. Journal of Chemical Thermodynamics, 43(11), 1678-1699.
- 2010
Article de revue Lindberg, D., & Chartrand, P. (2010). Corrigendum: Thermodynamic Evaluation and Optimization of the (Ca + C + O + S) System (Vol 41, Pg 1111, 2009). Journal of Chemical Thermodynamics, 42(11), 1413-1413.Article de revue Harvey, J.-P., & Chartrand, P. (2010). Modeling the Hydrogen Solubility in Liquid Aluminum Alloys. Metallurgical and Materials Transactions. B, Process Metallurgy and Materials Processing Science, 41(4), 908-924.Article de revue Kevorkov, D., Medraj, M., Li, J., Essadiqi, E., & Chartrand, P. (2010). The 400 C isothermal section of the Mg-Al-Ca system. Intermetallics, 18(8), 1498-1506.Article de revue Jin, L., Kang, Y.-B., Chartrand, P., & Fuerst, C. D. (2010). Thermodynamic evaluation and optimization of Al–Gd, Al–Tb, Al–Dy, Al–Ho and Al–Er systems using a Modified Quasichemical Model for the liquid. Calphad-computer Coupling of Phase Diagrams and Thermochemistry, 34(4), 456-466.
- 2009
Article de revue Bale, C. W., Bélisle, È., Chartrand, P., Decterov, S., Eriksson, G., Hack, K., Jung, I.-H., Kang, Y.-B., Melançon, J., Pelton, A., Robelin, C., & Petersen, S. (2009). FactSage thermochemical software and databases - recent developments. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 33(2), 295-311.Article de revue Kang, Y.-B., Aliravci, C., Spencer, P. J., Eriksson, G., Fuerst, C. D., Chartrand, P., & Pelton, A. (2009). Thermodynamic and volumetric databases and software for magnesium alloys. JOM, 61(5), 75-82.Article de revue Lindberg, D., & Chartrand, P. (2009). Thermodynamic evaluation and optimization of the (Ca + C + O + S) system. Journal of Chemical Thermodynamics, 41(10), 1111-1124.Article de revue Renaud, E., Robelin, C., Heyrman, M., & Chartrand, P. (2009). Thermodynamic evaluation and optimization of the (LiF + NaF + KF + MgF2 + CaF2 + SrF2) system. Journal of Chemical Thermodynamics, 41(5), 666-682.
- 2008
Article de revue Kang, Y.-B., Pelton, A., Chartrand, P., & Fuerst, C. D. (2008). Critical Evaluation and Thermodynamic Optimization of the Al-Ce, Al-Y, Al-Sc and Mg-Sc Binary Systems. Calphad-Computer Coupling of Phase Diagrams and Thermochemistry, 32(2), 413-422.Article de revue Spencer, P. J., Pelton, A., Kang, Y.-B., Chartrand, P., & Fuerst, C. D. (2008). Thermodynamic Assessment of the Ca-Zn, Sr-Zn, Y-Zn and Ce-Zn Systems. Calphad-Computer Coupling of Phase Diagrams and Thermochemistry, 32(2), 423-431.
- 2007
Article de revue Robelin, C., & Chartrand, P. (2007). A Density Model Based on the Modified Quasichemical Model and Applied to the NaF-AlF₃-CaF₂-Al₂O₃ Electrolyte. Metallurgical and Materials Transactions. B, Process Metallurgy and Materials Processing Science, 38(6), 881-892.Article de revue Robelin, C., Chartrand, P., & Eriksson, G. (2007). A Density Model for Multicomponent Liquids Based on the Modified Quasichemical Model: Application to the NaCl-KCl-MgCl₂-CaCl₂ System. Metallurgical and Materials Transactions. B, Process Metallurgy and Materials Processing Science, 38(6), 869-879.Article de revue Pelton, A., & Chartrand, P. (2007). Authors' Reply to: "Shortcomings of the Recent Modifications of the Quasichemical Solution Model" by Dmitry Saulov. Calphad-Computer Coupling of Phase Diagrams and Thermochemistry, 31(3), 396-398.Article de revue Kang, Y.-B., Pelton, A., Chartrand, P., Spencer, P., & Fuerst, C. D. (2007). Critical Evaluation and Thermodynamic Optimization of the Binary Systems in the Mg-Ce-Mn-Y System. Journal of Phase Equilibria and Diffusion, 28(4), 342-354.Article de revue Pisch, A., Jakse, N., Pasturel, A., Harvey, J.-P., & Chartrand, P. (2007). Structural Stability in the Al-Li-Si System. Applied Physics Letters, 90(25), 251902-251902.Article de revue Kang, Y.-B., Pelton, A., Chartrand, P., Spencer, P., & Fuerst, C. D. (2007). Thermodynamic Database Development of the Mg-Ce-Mn-Y System for Mg Alloy Design. Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science, 38A(6), 1231-1243.Article de revue Lindberg, D., Backman, R., & Chartrand, P. (2007). Thermodynamic evaluation and optimization of the (NaCl + Na₂SO₄ + Na₂CO₃ + KCl + K₂SO₄ + K₂CO₃) system. Journal of Chemical Thermodynamics, 39(7), 1001-1021.Article de revue Lindberg, D., Backman, R., & Chartrand, P. (2007). Thermodynamic evaluation and optimization of the (Na₂CO₃ + Na₂SO₄+ Na₂S + K₂CO₃ + K₂SO₄ + K₂S) system. Journal of Chemical Thermodynamics, 39(6), 942-960.
- 2006
Article de revue Heyrman, M., & Chartrand, P. (2006). Thermodynamic evaluation and optimization of the Ca-Si system. Journal of Phase Equilibria and Diffusion, 27(3), 220-230.Article de revue Lindberg, D., Backman, R., Hupa, M., & Chartrand, P. (2006). Thermodynamic Evaluation and Optimization of the (Na+K+S) System. Journal of Chemical Thermodynamics, 38(7), 900-915.Article de revue Lindberg, D., Backman, R., & Chartrand, P. (2006). Thermodynamic evaluation and optimization of the (Na2SO4+ K2SO4+ Na2S2O7+ K2S2O7) system. The Journal of Chemical Thermodynamics, 38(12), 1568-1583.
- 2005
Article de revue Coursol, P., Pelton, A., Chartrand, P., & Zamalloa, M. (2005). The CaSO₄-CaO-Ca₃(AsO₄)₂ phase diagram. Canadian Metallurgical Quarterly, 44(4), 547-553.Article de revue Coursol, P., Pelton, A., Chartrand, P., & Zamalloa, M. (2005). The Ca(SO₄)-Na-2(SO₄)-Ca-3(AsO₄)₍₂₎-Na-3(AsO₄) Phase Diagram. Metallurgical and Materials Transactions. B, Process Metallurgy and Materials Processing Science, 36(6), 825-836.Article de revue Coursol, P., Pelton, A., Chartrand, P., & Zamalloa, M. (2005). The CaSO₄-Na₂SO₄-CaO phase diagram. Canadian Metallurgical Quarterly, 44(4), 537-545.
- 2004
Article de revue Robelin, C., Chartrand, P., & Pelton, A. (2004). Thermodynamic evaluation and optimization of the (MgCl₂ + CaCl₂ + MnCl₂ + FeCl₂ + CoCl₂ + NiCl₂) system. Journal of Chemical Thermodynamics, 36(9), 793-808.Article de revue Robelin, C., Chartrand, P., & Pelton, A. (2004). Thermodynamic evaluation and optimization of the (NaCl + KCl + AlCl₃) system. Journal of Chemical Thermodynamics, 36(8), 683-699.Article de revue Robelin, C., Chartrand, P., & Pelton, A. (2004). Thermodynamic evaluation and optimization of the (NaCl + KCl + MgCl₂ + CaCl₂ + MnCl₂ + FeCl₂ + CoCl₂ + NiCl₂) system. Journal of Chemical Thermodynamics, 36(9), 809-828.
- 2002
Article de revue Chartrand, P., & Pelton, A. (2002). A Predictive thermodynamic model for the Al-NaF-AlF₃-CaF₂-Al₂O₃ system. Light metals, 245-252.Article de revue Bale, C. W., Chartrand, P., Decterov, S., Eriksson, G., Hack, K., Ben Mahfoud, R., Melançon, J., Pelton, A., & Peterson, S. (2002). FactSage thermochemical software and databases. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 26(2), 189-228.
- 2001
Article de revue Lefebvre, L. P., Swainson, I. P., Deslandes, Y., Pleizier, G., & Chartrand, P. (2001). Microstructure and Properties of Heat Treated Iron Powder Compacts Intended for Ac Soft Magnetic Applications. Materials Science and Technology, 17(1), 45-53.Article de revue Chartrand, P., & Pelton, A. (2001). The Modified Quasi-Chemical Model : Part III. Two Sublattices. Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science, 32(6), 1397-1407.Article de revue Pelton, A., & Chartrand, P. (2001). The Modified Quasi-Chemical Model : Part II. Multicomponent Solutions. Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science, 32(6), 1355-1360.Article de revue Pelton, A., Chartrand, P., & Eriksson, G. (2001). The Modified Quasi-Chemical Model : Part IV. Two-Sublattice Quadruplet Approximation. Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science, 32(6), 1409-1416.Article de revue Chartrand, P., & Pelton, A. (2001). Thermodynamic Evaluation and Optimization of the LiCl-NaCl-KCl-RbCl-CsCl-MgCl₂-CaCl₂-SrCl₂-BaCl₂ System Using the Modified Quasichemical Model. Canadian Metallurgical Quarterly, 40(1), 13-32.Article de revue Chartrand, P., & Pelton, A. (2001). Thermodynamic Evaluation and Optimization of the LiCl-NaCl-KCl- RbCl-CsCl-MgCl₂-CaCl₂ System Using the Modified Quasi-Chemical Model. Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science, 32(6), 1361-1383.Article de revue Chartrand, P., & Pelton, A. (2001). Thermodynamic Evaluation and Optimization of the LiF-NaF-KF- MgF₂-CaF₂ System Using the Modified Quasi-Chemical Model. Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science, 32(6), 1385-1396.Article de revue Chartrand, P., & Pelton, A. (2001). Thermodynamic evaluation and optimization of the Li, Na, K, Mg, Ca//F, Cl reciprocal system using the modified quasi-chemical model. Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science, 32(6), 1417-1430.Article de revue Mediaas, H., Chartrand, P., Tkatcheva, O., Pelton, A., & Østvold, T. (2001). Thermodynamic Phase Diagram Calculations and Cryoscopic Measurements in the NaCl-CaCl₂-MgCl₂-CaF₂ System. Canadian Metallurgical Quarterly, 40(1), 33-45.
- 2000
Article de revue Chartrand, P., & Pelton, A. (2000). On the Choice of "Geometric" Thermodynamic Models. Journal of Phase Equilibria, 21(2), 141-147.Article de revue Chartrand, P., & Pelton, A. (2000). Thermodynamic Evaluation and Optimization of the LiCl-NaCl-KCl-RbCl-CsCl-MgCl₂-CaCl₂-SrCl₂ System Using the Modified Quasichemical Model. Canadian Metallurgical Quarterly, 39(4), 405-420.
- 1999
Article de revue Chartrand, P., & Pelton, A. (1999). Modeling the Charge Compensation Effect in Silica-Rich Na₂O- K₂O-Al₂O₃-SiO₂ Melts. Calphad-Computer Coupling of Phase Diagrams and Thermochemistry, 23(2), 219-230.
- 1994
Article de revue Chartrand, P., & Pelton, A. (1994). Critical evaluation and optimization of the thermodynamic properties and phase diagrams of the Al-Mg, Al-Sr, Mg-Sr, and Al-Mg-Sr systems. Journal of Phase Equilibria, 15(6), 591-605.
- 2025
- Communications de conférence (63)
- 2023
Communication de conférence Harvey, J.-P., Gheribi, A. E., Robelin, C., Chartrand, P., Lafaye, P., Oishi, K., & Castillo-Sánchez, J.-R. A virtual laboratory for the aluminum industry [Présentation]. Dans 50th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD 2023), Boston, MA, USA.Communication de conférence Roger, T., Dion, L., Kiss, L., Chartrand, P., Phan, A. T., Gheribi, A. E., Guérard, S., & Bilodeau, J.-F. (novembre 2023). Modeling of the Distribution of Alumina Aggregates in an Electrolysis Cell based on a Three-Layer Method [Présentation]. Dans 41st International Conference and Exhibition of ICSOBA (ICSOBA 2023), Dubai, United Arab Emirates.Communication de conférence Da Silva Lima, C. V., Chartrand, P., & Robelin, C. (octobre 2023). Thermodynamic and phase equilibrium model for inert anode species dissolved in the electrolyte for aluminum production [Affiche]. REGAL Students’ Day, Québec City, Canada.
- 2022
Communication de conférence Benalia, S., Robelin, C., & Chartrand, P. (février 2022). Development of a Thermodynamic Model for Chromates, Molybdates, Tungstates, and Vanadates Involved in the Corrosion of Steels (Fe, Cr, Ni, Mo, W, and V) at High Temperatures in Atmospheres Containing O–H–S–C–Cl and Alkaline Salts [Communication écrite]. 7th REWAS Conference - Energy Technologies and CO2 Management.
- 2021
Communication de conférence Gheribi, A. E., & Chartrand, P. (juin 2021). Principles Simulations for the Prediction and Modelling of the Thermal Properties in Complex Solid Salt Systems [Communication écrite]. 21st Symposium on Thermophysical Properties, Boulder, CO, USA.
- 2019
Communication de conférence Ouzilleau, P., Gheribi, A. E., Chartrand, P., Soucy, G., & Monthioux, M. (avril 2019). Pourquoi certains carbones graphitent ou ne graphitent pas? Une interprétation phénoménologique inspirée de la thermodynamique [Résumé]. Colloque annuel de la Société francophone d’étude des carbones (SFEC 2019), Samatan, France.Communication de conférence Wang, K., Robelin, C., & Chartrand, P. (juin 2019). Thermodynamic assessment of the KF-BeF2, KCl-BeCl2, BeF2-BeCl2 and KF-KCl systems towards an investigation on the K, Be // F, Cl reciprocal phase equilibria [Présentation]. Dans CALPHAD XLVIII, Singapore, Singapore.Communication de conférence Ouzilleau, P., Gheribi, A. E., Chartrand, P., Soucy, G., & Monthioux, M. (juillet 2019). Why some carbons may or may not graphitize? Interpreting graphitization data with a phenomenological model inspired from thermodynamics [Présentation]. Dans The World's Carbon Conference (CARBON 2019), Lexington, KY, USA.
- 2018
Communication de conférence LeBreux, M., Gheribi, A. E., Desilets, M., Soucy, G., Chartrand, P., Pelletier, P., Bilodeau, J.-F., & Lombard, D. (octobre 2018). 3D flow of deposits on the surface of cathode blocks in an aluminium electrolysis cell [Communication écrite]. 36th International ICSOBA, Belem, Brazil.Communication de conférence Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (mai 2018). Prédiction de la formation de CO2/CO par le processus anodique primaire durant l'électrolyse de l'aluminium par un modèle électro-thermodynamique pour les cristallites de coke [Présentation]. Dans 86e Congrès de l'ACFAS, Chicoutimi, QC.Communication de conférence Chartrand, P., Gheribi, A. E., Wang, K., Ouzilleau, P., & Robelin, C. (juin 2018). Thermodynamic and physical-property models for the production of primary aluminum [Présentation]. Dans Canadian Materials Science Conference, Edmonton, Canada.Communication de conférence Aubé, M., Robelin, C., & Chartrand, P. (mai 2018). Thermodynamic evaluation and optimization of the H2O-HNO3 and H2O-HCl systems [Présentation]. Dans CALPHAD XLVII, Querétaro, Mexico.
- 2017
Communication de conférence Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (octobre 2017). A Thermodynamic Model for Carbonaceous Electrodes [Présentation]. Dans Materials Science & Technology 2017 (MS&T 2017), Pittsburgh, PA, USA.Communication de conférence Gheribi, A. E., & Chartrand, P. (juin 2017). DFT/CALPHAD mixed method for the prediction of the thermal transport properties within aluminium electrolysis cells [Présentation]. Dans 46th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD 2017), Saint-Malo, France.Communication de conférence Gheribi, A. E., Pelton, A., Chartrand, P., & Bale, C. W. (octobre 2017). Optimization of Compositions and Physical Properties of Salt Systems for Latent Heat Storage in Thermal Solar Energy Applications [Présentation]. Dans Materials Science & Technology 2017 (MS&T 2017), Pittsburgh, PA, USA.Communication de conférence Chartrand, P., Gheribi, A. E., Wang, K., Ouzilleau, P., & Robelin, C. (juin 2017). Thermodynamic and physical-property models for the production of primary aluminum [Présentation]. Dans CALPHAD XLVI, Saint-Malo, France.Communication de conférence Aubé, M., Robelin, C., & Chartrand, P. (juin 2017). Thermodynamic evaluation and optimization of the NaF-KF-ZnF2 system [Affiche]. CALPHAD XLVI, Saint-Malo, France.Communication de conférence Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (juillet 2017). Thermodynamic rationalization of graphitization: the critical temperature threshold [Présentation]. Dans The World's Carbon Conference (CARBON 2017), Melbourne, Australia.
- 2016
Communication de conférence Gheribi, A. E., Harvey, J.-P., Chartrand, P., Bélisle, E., Bale, C. W., & Pelton, A. (février 2016). Identifying optimal conditions for alloys and process design using the Mesh Adaptive Direct Search algorithm [Présentation]. Dans 145th TMS Annual Meeting & Exhibition (TMS 2016), Nashville, TN, USA.Communication de conférence Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (mai 2016). Le seuil de graphitisation traité par une approche structurelle et thermodynamique [Présentation]. Dans Colloque annuel de la Société Francophone d'Études des Carbones (SFEC 2016), Carqueiranne, France..Communication de conférence Gheribi, A. E., & Chartrand, P. (février 2016). Prediction of the thermal conductivity of oxide microstructures by a new self consistent thermodynamics method supported by first principle calculations [Présentation]. Dans 145th TMS Annual Meeting & Exhibition (TMS 2016), Nashville, TN, USA.Communication de conférence Robelin, C., Gemme, F., & Chartrand, P. (juillet 2016). Thermodynamic models for salt systems used for the production of fertilizers [Communication écrite]. EUCHEM Conference on Molten Salts and Ionic Liquids XXVI, Vienna, Austria.Communication de conférence Seifitokaldani, A., Gheribi, A. E., Dollé, M., & Chartrand, P. Thermophysical Properties of LiFePO4: DFT+U Computations Combined with a Thermodynamically Self-Consistent (TSC) Method [Résumé]. 229th ECS Meeting, San Diego, CA, USA. Publié dans ECS Meeting Abstracts, MA2016-01(4).
- 2015
Communication de conférence Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (juillet 2015). A size-dependent thermodynamic model for graphitic crystallites integrating the binary interactions of sulfur/hydrogen with carbon up to 2500 K [Présentation]. Dans The World's Carbon Conference (CARBON 2015), Dresden, Germany.Communication de conférence Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (mars 2015). A size-dependent thermodynamic model for the carbon-hydrogen-sulfur system in coke crystallites: Application to the production of pre-baked carbon anodes [Présentation]. Dans 144th TMS Annual Meeting & Exhibition (TMS 2015), Orlando, FL, USA.Communication de conférence Gheribi, A. E., & Chartrand, P. (mai 2015). Prediction of the thermal conductivity of ionic materials by a new self consistent thermodynamics method [Présentation]. Dans 44th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD 2015), Loano, Italy.Communication de conférence Dalaker, H., Ouzilleau, P., & Chartrand, P. (mars 2015). The application of a recent thermodynamic model for coke crystallites: Chemisorption of methyl groups, decomposition of natural gas, and the reduction of metal oxides [Communication écrite]. 6th International Symposium on High-Temperature Metallurgical Processing, Orlando, FL, United states.
- 2014
Communication de conférence Chartrand, P., Robelin, C., & Gemme, F. (juin 2014). A thermodynamic model for the NH4[+], K[+] // H2PO4[-], H2P2O7[2-], NO3[-], Cl[-] - H2O system for fertilizer applications [Présentation]. Dans CALPHAD XLIII, Changsha, China.Communication de conférence Dassylva-Raymond, V., Kiss, L. I., Poncsák, S., Chartrand, P., Bilodeau, J.-F., & Guérard, S. (février 2014). Modeling the Behavior of Alumina Agglomerate in the Hall-Héroult Process [Communication écrite]. 143rd TMS Annual Meeting & Exhibition 2014, San Diego, CA, USA. Publié dans Light Metals.Communication de conférence Bale, C. W., Bélisle, E., Chartrand, P., Decterov, S., Eriksson, G., Gheribi, A. E., Hack, K., Jung, I.-H., Melançon, J., Pelton, A., Petersen, S., & Robelin, C. (février 2014). Recent developments in FactSage thermochemical software and databases [Communication écrite]. Celebrating the Megascale: Extraction and Processing Division Symposium on Pyrometallurgy in Honor of David G.C. Robertson - TMS 2014 143rd Annual Meeting and Exhibition, Orlando, Florida.Communication de conférence Robelin, C., Gheribi, A. E., & Chartrand, P. (juillet 2014). Thermodynamic models for chloro-fluoride and fluoro-oxide reciprocal salt systems of industrial interest [Présentation]. Dans EUCHEM Conference on Molten Salts and Ionic Liquids XXV, Tallinn, Estonia.
- 2013
Communication de conférence Gheribi, A. E., & Chartrand, P. An in silico method to predict the thermal conductivity in insulating crystals [Communication écrite]. 31st International Thermal Conductivity Conference (Thermal Conductivity 31), Chicoutimi, Québec, Canada.Communication de conférence Lambotte, G., & Chartrand, P. (mars 2013). A thermodynamic approach to the corrosion of the cathode refractory lining in aluminium electrolysis cell: Modelling of the Al2O 3-Na2O-SiO2-AlF3-NaF-SiF 4 system [Communication écrite]. Light Metals 2012 - TMS 2013 Annual Meeting and Exhibition, San Antonio, TX, United states.Communication de conférence Chartrand, P., Gemme, F., & Robelin, C. (mai 2013). A thermodynamic model for the NH₄+, K+ // H₂PO₄-, H₂P₂O₇²-, NO₃-, Cl- - H₂O system [Communication écrite]. 2nd International Symposium on Innovation and Technology in the Phosphate Industry (SYMPHOS 2013), Agadir, Kingdom of Morocco. Publié dans Procedia Engineering, 83.Communication de conférence Dion, L., Kiss, L., Chartrand, P., Dufour, G., & Laflamme, F. (mars 2013). Sodium content in aluminum and current efficiency - Correlation through multivariate analysis [Communication écrite]. Light Metals 2012 - TMS 2013 Annual Meeting and Exhibition, San Antonio, TX, United states.
- 2012
Communication de conférence Gheribi, A. E., Chartrand, P., Belisle, E., Bale, C. W., Jin, L., & Pelton, A. (juillet 2012). Identifying optimal conditions for Mg alloy design using thermodynamic and properties databases, the Factsage software and the mesh adaptive direct searches algorithm [Communication écrite]. 9th International Conference on Magnesium Alloys and Their Applications (Mg2012), Vancouver, Canada.Communication de conférence Chartrand, P., & Robelin, C. Modeling of cryolitic systems for Al reduction cells : coupled thermodynamic and physical property models [Présentation]. Dans University of Science and Technology of Beijing (USTB), Beijing, China.Communication de conférence Robelin, C., Gheribi, A. E., & Chartrand, P. (août 2012). Models for the thermodynamic properties and physical properties (density, viscosity, electrical conductivity) of molten salt systems : perspectives for ionic liquids [Présentation]. Dans EUCHEM Conference on Molten Salts and Ionic Liquids XXIV, Celtic Manor, Wales.Communication de conférence Robelin, C., Gheribi, A. E., & Chartrand, P. (août 2012). Models for the thermodynamic properties and physical properties (density, viscosity, electrical conductivity) of molten salt systems : perspectives for ionic liquids [Affiche]. EUCHEM Conference on Molten Salts and Ionic Liquids XXIV, Celtic Manor, Wales.Communication de conférence Chartrand, P., Robelin, C., & Lambotte, G. (septembre 2012). Thermodynamic modeling of cryolitic systems for Al reduction cells [Présentation]. Dans High Temperature Materials Chemistry HTMC-XIV, Beijing, China.
- 2011
Communication de conférence Robelin, C., & Chartrand, P. (mai 2011). Overview of the molten chlorides, fluorides and chloro-fluorides databases of the FactSage thermochemical software [Présentation]. Dans CALPHAD XL, Rio de Janeiro, Brazil.Communication de conférence Chartrand, P., Robelin, C., Heyrman, M., & Tripathi, N. (mai 2011). The cryolite database for the Hall-Heroult alumina reduction process [Présentation]. Dans CALPHAD XL, Rio de Janeiro, Brazil.
- 2010
Communication de conférence Coulombe, M.-A., Lebeuf, M., Chartrand, P., Allard, B., & Soucy, G. (février 2010). Carburation phenomenons at the cathode block / metal interface [Communication écrite]. Light Metals 2010 - TMS 2010 Annual Meeting and Exhibition, Seattle, WA, United states.Communication de conférence Harvey, J.-P., Chartrand, P., Eriksson, G., & Orban, D. (septembre 2010). Gibbs energy minimization challenges using implicit variables solution models [Communication écrite]. Discussion meeting on thermodynamics of alloys (TOFA 2010), Porto, Portugal.Communication de conférence Kang, Y.-B., Jin, L., Jung, I.-H., Pelton, A., Chartrand, P., & Fuerst, C. D. (février 2010). Thermodynamic database development for Mg alloys with RE elements and applications to Mg alloy design [Communication écrite]. Magnesium Technology 2010 - TMS 2010 Annual Meeting and Exhibition, Seattle, WA, United states.Communication de conférence Renaud, E., Robelin, C., & Chartrand, P. (mai 2010). Thermodynamic evaluation and optimization of the Na[+], Ca[2+], Al[3+], Fe[2+], Fe[3+] // F[-], O[2-], Va[-] system [Présentation]. Dans CALPHAD XXXIX, Jeju, South Korea.
- 2009
Communication de conférence Zoukel, A., Chartrand, P., & Soucy, G. (février 2009). Study of aluminum carbide formation in Hall-Heroult electrolytic cells [Communication écrite]. Light Metals 2009 - TMS 2009 Annual Meeting and Exhibition, San Francisco, CA, United states.
- 2008
Communication de conférence Chartrand, P., & Robelin, C. Modeling the physical properties (density, viscosity, electrical conductivity) of liquid NaF-AlF₃-CaF₂-Al₂O₃ solutions [Présentation]. Dans University of Science and Technology of Beijing (USTB), Beijing, China.Communication de conférence Chartrand, P., & Robelin, C. Modeling the physical properties (density, viscosity, electrical conductivity) of liquid NaF-AlF₃-CaF₂-Al₂O₃ solutions [Présentation]. Dans Florida International University, Miami, Florida, USA.Communication de conférence Robelin, C., Eriksson, G., Pelton, A., & Chartrand, P. (janvier 2008). Models for the thermodynamic properties, densities and viscosity of molten salts [Communication écrite]. VIII International Conference on Molten Slags, Fluxes, and Salts, Santiago, Chile (10 pages).
- 2007
Communication de conférence Heyrman, M., & Chartrand, P. (février 2007). A thermodynamic model for the NaF-KF-AIF₃-NaCl-KCl-AlCl₃ system [Communication écrite]. TMS 2007 Annual Meeting and Exhibition, Orlando, FL, United States.Communication de conférence Robelin, C., & Chartrand, P. (mai 2007). A viscosity model for the Na[+], Al[3+], Ca[2+] // F[-], O[2-] electrolyte [Affiche]. CALPHAD XXXVI, State College, Pennsylvania, USA.Communication de conférence Malik, M. M., Lambotte, G., Hamed, M. S., Chartrand, P., & Shankar, S. (février 2007). How to measure viscosity of liquid aluminum alloys? [Communication écrite]. Shape casting : Symposium 2007, Orlando, Florida, USA.Communication de conférence Robelin, C., & Chartrand, P. (février 2007). Predictive models for the density and viscosity of the NaF-AlF₃-CaF₂-Al₂O₃ electrolyte [Communication écrite]. TMS 2007 Annual Meeting and Exhibition, Orlando, FL, United States.
- 2006
Communication de conférence Robelin, C., & Chartrand, P. (septembre 2006). Modeling the thermodynamic properties and density of molten salt systems : perspectives for ionic liquids [Présentation]. Dans EUCHEM Conference on Molten Salts and Ionic Liquids XXI, Hammamet, Tunisia.
- 2005
Communication de conférence Robelin, C., & Chartrand, P. (mai 2005). Modeling the volumetric properties of multicomponent liquids : the NaCl-KCl-MgCl2-CaCl2 and Na[+], Al[3+], Ca[2+] // F[-], O[2-] systems [Présentation]. Dans CALPHAD XXXIV, Maastricht, The Netherlands.
- 2004
Communication de conférence Robelin, C., Chartrand, P., & Pelton, A. (octobre 2004). A Thermodynamic Database for AlCl₃-Based Molten Salt Systems [Communication écrite]. Molten Salts XIV, Honolulu, Hawaii. Publié dans ECS Proceedings Volumes, 2004-24(1).Communication de conférence Robelin, C., Chartrand, P., & Pelton, A. (mai 2004). A thermodynamic database for AlCl₃-based molten salt systems [Présentation]. Dans CALPHAD XXXIII, Krakow, Poland.Communication de conférence Robelin, C., Chartrand, P., & Pelton, A. (août 2004). Thermodynamic modeling of AlCl3-based molten chlorides systems [Affiche]. Gordon Research Conference “High Temperature Materials, Processes & Diagnostics”, Colby College, Waterville, Maine.
- 2003
Communication de conférence Robelin, C., Chartrand, P., & Pelton, A. (mai 2003). A thermodynamic model for AlCl₃-based molten salt systems [Présentation]. Dans CALPHAD XXXII, La Malbaie, Quebec, Canada,.
- 2002
Communication de conférence Robelin, C., Chartrand, P., & Pelton, A. (mai 2002). Recent developments in the molten chlorides database of the FactSage thermochemical software [Présentation]. Dans CALPHAD XXXI, Stockholm, Sweden.
- 2001
Communication de conférence Chartrand, P., Robelin, C., & Pelton, A. (mai 2001). Salt databases developments [Présentation]. Dans CALPHAD XXX, York, England, UK.
- 1998
Communication de conférence Chartrand, P., Mediaas, H., Pelton, A., & Tkatcheva, O. (janvier 1998). Thermodynamic phase diagram calculations and cryoscopic measurements in the NaCl-CaCl2-MgCl2-CaF2 system [Communication écrite]. International Terje Ostvold Symposium, Roros, Norway.
- 2023
- Chapitres de livre (3)
- 2015
Chapitre de livre Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2015). A Size-Dependent Thermodynamic Model for the Carbon/Hydrogen/Sulfur System in Coke Crystallites: Application to the Production of Pre-Baked Carbon Anodes. Dans Light Metals 2015 (p. 1067-1072).
- 2014
Chapitre de livre Dassylva-Raymond, V., Kiss, L. I., Poncsák, S., Chartrand, P., Bilodeau, J.-F., & Guérard, S. (2014). Modeling the behavior of alumina agglomerate in the Hall-Héroult process. Dans Light Metals 2014 (p. 603-608).
- 2011
Chapitre de livre Chartrand, P., Bale, C. W., & Pelton, A. (2011). Development of the FACT/FactSage System and its impact in Canadian Metallurgy. Dans The Canadian metallurgical and materials landscape 1960 to 2011 (p. 395-420).
- 2015
- Brevets (2)
- 2018
Brevet Gauthier, M., MacNeil, D., Wontcheu, J., Chartrand, P., & Liang, G. (2018). Process for preparing crystalline electrode materials and materials obtained therefrom. (Brevet no US9871245).
- 2017
Brevet Gauthier, M., Chartrand, P., Talebi-Esfandarani, M., Sauriol, P., Dollé, M., Dufour, J., & Liang, G. (2017). Processes for producing LiMXO₄ and products thereof. (Demande de brevet no US20170210624).
- 2018
- Rapports (1)
- 2015
Rapport Gheribi, A. E., Harvey, J.-P., Bélisle, È., Robelin, C., Chartrand, P., Pelton, A., Bale, C. W., & Le Digabel, S. (2015). Use of a biobjective direct search algorithm in the process design of material science applications. (Rapport technique n° G-2014-103).
- 2015
- Thèses (2)
- 2000
Thèse Chartrand, P. (2000). Nouveaux modèles thermodynamiques pour solutions liquides [Thèse de doctorat, École Polytechnique de Montréal].
- 1995
Thèse Chartrand, P. (1995). Optimisation, calcul et traçage de diagrammes de phases [Mémoire de maîtrise, École Polytechnique de Montréal].
- 2000