factSage  general references – January 2017

[0001]        FACT,  www.crct.polymtl.ca

[0002]        C.W. Bale, P. Chartrand, S.A. Decterov, G. Eriksson, K. Hack, R. Ben Mahfoud, J. Melançon, A.D. Pelton and S. Petersen, "FactSage Thermochemical Software and Databases", Calphad Journal, 62, 189-228 (2002).

[0003]        C.W. Bale, A.D. Pelton and W.T. Thompson, "An Efficient Procedure for Computing Isothermal Predominance Diagrams", Can. Met. Quart., 25, 107‑112 (1986).

[0004]        A.D. Pelton, W.T. Thompson, C.W. Bale and G. Eriksson, "FACT Thermochemical   Databases for Calculations in Materials Chemistry at High Temperatures", High Temp. Science, 26, 231-250 (1990).

[0005]        C.W. Bale, W.T. Thompson, A.D. Pelton, G. Eriksson, P.K. Talley and J. Melancon, "Recent Developments in the FACT System", Proc. Int'l Symp. on Computer Databases, CIM, (1993).

[0006]        W.T. Thompson, G. Eriksson, C.W. Bale and A.D. Pelton, "Applications of FACT in High Temperature Materials Chemistry", Proc. 9th IUPAC Int'l Conf. High Temp. Mats. HTMC IX, Penn. State Univ., Electrochem. Soc. Proc., Vol. 97-39, ed K. Spear, pp. 16-30 (1997). ISBN 1-56677-190-0.

[0007]        C. W. Bale, E. Bélisle, P. Chartrand, S. A. Decterov, G. Eriksson, K. Hack, I.-H. Jung, Y.-B. Kang, J. Melançon, A. D. Pelton, C. Robelin and S. Petersen, “FactSage Thermochemical Software and Databases – Recent Developments”, Calphad, 33 (2), 295-311 (2009).

[0008]    I.-H. Jung, “Overview of the applications of thermodynamic database to steelmaking process”, Calphad, 2010, vol. 34, pp. 332-362.

[0009]    C. W. Bale, E. Bélisle, P. Chartrand, S. Decterov, G. Eriksson, A. Gheribi, K. Hack, I.-H. Jung, J. Melançon, A. D. Pelton, S. Petersen and C. Robelin, “Recent Developments in FactSage Thermochemical Software and Databeses”, in: “Celebrating the Megascale: Proc. of the Extraction and Processing Division Symposium on Pyrometallurgy in Honor of David G. C. Robertson”, eds. P. Mackey, E. Grimsey, R. Jones, G. Brooks, Wiley, NY, pp. 141-148 (2014).

Theory / modeling

[1001]        A.D. Pelton, "Calculation of a Binary Solidus When Only the Liquidus and Minimal Thermodynamic Information are Known", Ber. Bunsenges. phys. Chem., 84, 212‑17 (1980).

[1002]        A.D. Pelton, H. Kohler and A. Dubreuil, "Some Useful Thermodynamic Relationships Involving Binary Phase Diagrams", Proc. Wagner Symposium, "Chemical Metallurgy ‑ A Tribute to Carl Wagner", Ed. N. Gokcen, AIME, Chicago, pp. 273‑82 (1981).

[1003]        A.D. Pelton and H. Kohler, "Calculation of phase boundaries in binary systems", CALPHAD Journal, 6, 39‑48 (1982).

[1004]        A.D. Pelton and M. Blander, "Computer‑Assisted Analysis of the Thermodynamic Properties and Phase Diagrams of Slags", Proc. AIME Symposium on Metallurgical Slags and Fluxes, L. Tahoe, Nevada, pp 281‑294, TMS‑AIME, Warrendale, PA (1984).

[1005]        A.D. Pelton and M. Blander, "Thermodynamic Analysis of Ordered Liquid Solutions by a Modified Quasichemical Approach ‑ Application to Silicate Slags", Met. Trans., 17B, 805‑815 (1986).

[1006]        M. Blander and A.D. Pelton, "Thermodynamic Analysis of Binary Liquid Slags and Prediction of Ternary Slag Properties by Modified Quasichemical Equations", Geochim. et Cosmochim. Acta., 51, 85‑95 (1987).

[1007]        A.D. Pelton, "A Database and Sublattice Model for Molten Salt Solutions",  Calphad J., 12, 127‑142 (1988).

[1008]        A.D. Pelton, "On the Slopes of Phase Boundaries", Met. Trans., 19A, 1819‑25 (1988).

[1009]        C.W. Bale and A.D. Pelton, "The Unified Interaction Parameter Formalism - Thermodynamic Consistency and Applications", Met. Trans., 21A, 1997-2002 (1990).

[1010]        Y. Dessureault and A.D. Pelton "Contribution  to the Quasichemical Model of Reciprocal Molten Salt Solutions", J. Chim. Phys., 88, 1811-1830 (1991).

[1011]        A.D. Pelton, "The Chemical Capacitance - A Thermodynamic Solution Property", J. Chim. Phys, 89, 1931-1949 (1992).

[1012]        A.D. Pelton, "Proof of Schreinemaker's Rule for General Phase Diagram Sections", J. Phase Equilibria, 16, 501‑503 (1995).

[1013]        A.D. Pelton, "The Polynomial Representation of Thermodynamic Properties in Dilute Solutions", Met. Trans., 28B, 869-76 (1997).

[1014]        P. Chartrand and A. D. Pelton, "Modeling the Charge Compensation Effect in Silica‑Rich Na2O-K2O-Al2O3-SiO2 Melts", Calphad Journal.23, 219-230(1999).

[1015]        A.D. Pelton, S.A. Decterov, G. Eriksson, C. Robelin and Y. Dessureault, "The Modified Quasichemical Model – I Binary Solutions", Metall. and Mat. Trans., 31B,651-660 (2000).

[1016]        P. Chartrand and A.D. Pelton, "On the Choice of "Geometric" Thermodynamic Models", J. Phase Equilibria, 21, 141-147 (2000).

[1017]        A.D. Pelton, "Thermodynamic Modeling of Complex Solutions", Proc. J.K. Brimacombe Memorial Symposium, Canad. Inst. Min. Metall., 763-780 (2000).

[1018]        A.D. Pelton, "General Phase Diagram Sections", Proc. J.M. Toguri Symposium, Canad. Inst. Min. Metall., Ottawa, pp. 45-56 (2000).

[1019]        A.D. Pelton, "A General 'Geometric' Thermodynamic Model for Multicomponent Solutions", Calphad Journal, 25, 319-328 (2001).

[1020]        A.D. Pelton & P. Chartrand, "The Modified Quasichemical Model II - Multicomponent Solutions", Met. & Mat. Trans., 32A, 1355-60 (2001).

[1021]        P. Chartrand and A.D. Pelton, "The Modified Quasichemical Model III - Two Sublattices", Met. & Mat. Trans., 32A, 1397-1408 (2001).

[1022]        A.D. Pelton & P. Chartrand, "The Modified Quasichemical Model IV - Two Sublattice Quadruplet Approximation", Met. & Mat. Trans., 32A, 1409-16 (2001).

[1023]        A.D. Pelton, "Thermodynamic Models and Datbases for Slags, Fluxes and Salts", Proc. VII Int'l Conference on Molten Slags, Fluxes and Salts, South African Inst. Mining & Metallurgy, Johannesburg, pp. 607-614, (2004).

[1024]        M. Hillert, B. Burton, S. K. Saxena, S. A. Decterov, K. C. Hari Kumar, H. Ohtani, F. Aldinger and A. Kussmaul, “Thermodynamic Modelling of Solutions and Alloys. Modelling of Oxides”, CALPHAD, 21 (2), 247-264 (1997).

[1025]        S. A. Decterov, A. D. Pelton, H.-J. Seifert, O. Fabrichnaya, J. P. Hajra, A. Navrotsky, K. Helean, V. Swamy, A. V. da Costa e Silva and P. Spencer, “Thermodynamic Modelling of Oxide and Oxynitride Phases”, Z. Metallkd., 92, 533-549 (2001).

[1026]        M. Hillert and L.I. Staffanson: “Regular Solution Model for Stoichiometric Phases and Ionic Melts,” Acta Chem. Scand., 24, 3618-26 (1970); B. Sundman and J. Ågren: “A Regular Solution Model for Phases with Several Components and Sublattices, Suitable for Computer Applications, J. Phys. Chem. Solids, 42,  297-301 (1981).

[1027]        A.D. Pelton and Y.-B. Kang, “Modeling short‑range ordering in solutions”, Int. J. Mat. Res., 98, 907-17 (2007).

[1028]        A.D. Pelton & P. Chartrand, "Authors' reply to "Shortcomings of the recent modifications of the quasichemical solution model" by D. Saulov", Calphad, 31, 396-8 (2007).

[1029]        A.D. Pelton, "Thermodynamic database development – Modeling and Phase Diagram Calculation in Oxide Systems", Rare Metals, 25, 473-480 (2006).

[1030]        A.D. Pelton, "Thermodynamic models and databases for slags, fluxes and salts", Mineral Processing and Extractive Metallurgy (Trans. Inst. Min. Metall. C), 114, C180-C188 (2005).

[1031]        A.D. Pelton, “The Geometry of General Phase Diagram Sections”, Proc. 16th Iketani Conference, Publisher: Iketani Conf. Committee, Institute of Industrial Science, University of Tokyo, pp. 545-556 (2006)

[1032]        A.L. Perron, L.I. Kiss and P. Chartrand, “Rise velocity of single bubbles moving under a slightly inclined surface in various liquids”, Int. J. of Multiphase Flow, submitted.

[1033]        A.N. Grundy, H. Liu, I.-H. Jung, S. Decterov and A.D. Pelton, “A Model to Calculate the Viscosity of Silicate Melts, Part I: Viscosity of Binary SiO2-MeOx Systems (Me = Na, K, Ca, Mg, Al)” Int’l. J. Mat. Res., 99, 1185-1194 (2008).

[1034]        A.N. Grundy, I.-H. Jung, S. Decterov and A.D. Pelton, “A Model to Calculate the Viscosity of Silicate Melts, Part II: The NaO0.5-MgO-CaO-AlO1.5-SiO2 System”, Int’l. J. Mat. Res., 99, 1195-1209 (2008).

[1035]        Kim W.-Y., A.D. Pelton and S.A. Decterov, "A Model to Calculate the Viscosity of Silicate Melts. Part III: Modification of the model for melts containing alkali metals". Int. J. Mat. Res., in press (2012).

[1036]        Brosh E., A.D. Pelton and S.A. Decterov, "A Model to Calculate the Viscosity of Silicate Melts. Part IV: Borosilicate melts". Int. J. Mat. Res., 103, 494-501 (2012).

[1037]        Brosh E., A.D. Pelton and S.A. Decterov, "A Model to Calculate the Viscosity of Silicate Melts. Part V: Borosilicate melts containing alkali oxides". Int. J. Mat. Res., 103, 537-550 (2012).

[1038]        Youn-Bae Kang and Arthur. D. Pelton, “Modeling short-range ordering in liquids: the Mg-Al-Sn system”, Calphad Journal, 34, 180-188 (2010).

[1039]        C. Robelin, G. Eriksson, A.D. Pelton and P. Chartrand, “Models for the Thermodynamic Properties, Density and Viscosity of Molten Salts”, Proc. VIII Int’l Conf. Molten Slags, Fluxes and Salts, Santiago (2009).

[1040]        A.D. Pelton, G. Eriksson and C.W. Bale, “Thermodynamic modeling of dilute components of multicomponent solutions”, Calphad Journal, 33, 679-683 (2009).

[1041]        M. Schick, W. Khan, K Hack, and I. Egry, “Surface Tension of binary Ni-Cr alloys”, High Temperature-High Pressures, 40, 113-125 (2011)

[1042]        J.-P. Harvey, A. Gheribi and P. Chartrand, “Accurate determination of the Gibbs energy of Cu-Zr melts using the thermodynamic integration method in Monte Carlo simulations”, J. Chem. Phys., 135, 084502/1-084502/13 (2011).

[1043]        W.-Y. Kim, X. Yang, L. Yan, A. D. Pelton and S. A. Decterov. “Modeling the viscosity of silicate melts containing zinc oxide”, Calphad 35, 542-550 (2011).

[1044]        A.E. Gheribi, C. Audet, S. Le Digabel, E. Bélisle, C.W. Bale and A.D. Pelton, “Calculating optimal conditions for alloy and process design using thermodynamic and property databases, the FactSage software and the Mesh Adaptive Direct Search algorithm”, Calphad, 36, 135-143 (2012).

[1045]        A.E. Gheribi, C. Robelin, S. Le Digabel, C. Audet and A.D. Pelton, “Calculating all local minima on liquidus surfaces using the FactSage software and databases and the Mesh Adaptive Direct Search algorithm”, J. Chem. Thermo., 43, 1323-30 (2011).

[1046]       W.-Y. Kim, A. D. Pelton, and S. A. Decterov, “Modeling Viscosity of Silicate Melts Containing Lead Oxide”, Metall. Mater. Trans., 43B (2), 325-336 (2012).

[1047]       W.-Y. Kim, A.D. Pelton, C.W. Bale, E. Bélisle and S.A. Decterov, "Modeling the viscosity of Silicate Melts containing Manganese Oxide", J. Min. Metall. Sect. B-Metall., 49 (3) B, 323-337 (2013).

[1048]       P. Ouzilleau, C. Robelin and P. Chartrand, “A Density Model Based on the Modified Quasichemical Model and Applied to the (NaCl + KCl + ZnCl2) Liquid”, J.  Chem. Thermodyn., 47, 171-176 (2012).

[1049]       A. E. Gheribi and P. Chartrand, “Application of the CALPHAD method to predict the thermal conductivity in dielectric and semiconductor crystals”, CALPHAD, 39, 70-79 (2012).

 

[1050]       P. Coursol, G. Dufour, J. Côté, P. Chartrand and P. Mackey, “Application of Thermodynamic Models for Better Understanding and Optimization of the Hall-Heroult Process”, JOM, 64, 1326-33 (2012).

 

[1051]       J.-P. Harvey, A.E. Gheribi and P. Chartrand, “Accurate determination of the Gibbs energy of copper-zirconium melts using the thermodynamic integration method in Monte-Carlo simulations”, J. Chem. Phys., 135, 084502 (2011).

 

[1052]       P. Ouzilleau, C. Robelin and P. Chartrand, “A density model based on the modified quasichemical model and applied to the (NaCl + KCl + ZnCl2) liquid”, J. Chem. Thermo., 47, 171-176 (2012).

 

[1053]       C. Robelin and P. Chartrand, “A viscosity model for the (NaF + AlF3 + CaF2 + Al2O3) electrolyte”, J. Chem. Thermo., 43, 764-774 (2011).

 

[1054]       J.-P. Harvey, A.E. Gheribi and P. Chartrand, “Thermodynamic integration based on the classical atomistic simulations to determine the Gibbs free energy of condensed phases: calculation of the aluminum-zirconium system”, Physical Review B. (Accepted July 11th 2012).

 

[1055]       J.-P. Harvey, G. Eriksson, D. Orban and P. Chartrand, “Global minimization of the Gibbs energy of multicomponent systems involving the presence of order/disorder phase transitions”, American Journal of Science. (Accepted June 26th 2012).

 

[1056]       A. M. Nasiri, P. Chartrand, D. C. Weckman and Y. Zhou, “Thermochemical Analysis of Phases Formed at the Interface of a Mg alloy-Ni plated Steel Joint during Laser Brazing”, Metall. and Mater. Trans. A, (Accepted Oct. 17th 2012).

 

[1057]       L. Jin, D. Kevorkov, M. Medraj and P. Chartrand, “Al-Mg-RE (RE: La, Ce, Pr, Nd, Sm) systems: thermodynamic evaluations and optimizations coupled with key experiments and Miedema's model estimations”, J. Chem. Thermodynamics                   (Accepted Oct. 24th 2012).

 

[1058]       A.E. Gheribi and P. Chartrand, “An “in silico method” to predict the thermal conductivity in insulating crystals”, Proc. 31st Intl Therm. Conduct. Conf. and 19th Intl Therm. Exp. Symp., June 26-30, 2011.

 

[1059]   E. Brosh, A.D. Pelton and S.A. Decterov, "A Model to Calculate the Viscosity of Silicate Melts. Part V: Borosilicate melts containing alkali oxides". Int. J. Mat. Res., 103, 537-550 (2012).

 

[1060]   W.-Y. Kim, A.D. Pelton and S.A. Decterov, "A Model to Calculate the Viscosity of Silicate Melts. Part III: Modification of the model for melts containing alkali oxides". Int. J. Mat. Res., 103, 313-328 (2012).

 

[1061]   E. Brosh, A.D. Pelton and S.A. Decterov, "A Model to Calculate the Viscosity of Silicate Melts. Part IV: Borosilicate melts". Int. J. Mat. Res., 103, 494-501 (2012).

 

[1062]   A.D. Pelton, P. Koukkari, R. Pajarre and G. Eriksson, "Paraequilibrium phase diagrams", J. Chem. Thermo., 72, 16-22 (2014).

 

[1063]   G. Eriksson, C.W. Bale and A. D. Pelton, "Interpretation and Calculation of first-melting projections of phase diagrams", J. Chem. Thermo., J. Chem Thermodynamics, 67, 63-73 (2013).

 

[1064]   Y.B. Kang and A.D. Pelton "The shape of liquid miscibility gaps and short-range order" J. Chem. Thermo., 60, 19-24 (2013).

oxide systems

[2001]        P. Wu and A.D. Pelton, "Coupled Thermodynamic/Phase Diagram Assessment of the Rare Earth Oxide - Aluminum Oxide Binary Systems", J. Alloys and Compounds, 179, 259-287 (1992).

[2002]        P. Wu, G. Eriksson and A.D. Pelton, "Critical Evaluation and Optimization of the Thermodynamic Properties and Phase Diagrams of the CaO-FeO, CaO-MgO, CaO-MnO, FeO-MgO, FeO-MnO and MgO-MnO Systems", J. Am. Ceram. Soc., 76, 2065-2075 (1993).

[2003]        P. Wu, G. Eriksson and A.D. Pelton, "Critical Evaluation and Optimization of the Thermodynamic Properties and Phase Diagrams of the Na2O-SiO2 and K2O-SiO2 Systems", J. Am. Ceram. Soc., 76, 2059-64 (1993).

[2004]        G. Eriksson and A.D. Pelton, "Critical Evaluation and Optimization of the Thermodynamic Properties and Phase Diagrams of the CaO-Al2O3, Al2O3-SiO2 and CaO-Al2O3-SiO2 Systems", Metall. Trans., 24B, 807-816 (1993).

[2005]        G. Eriksson and A.D. Pelton, "Critical Evaluation and Optimization of the Thermodynamic Properties and Phase Diagrams of the MnO-TiO2, MgO-TiO2, FeO-TiO2, Ti2O3-TiO2, Na2O-TiO2 and K2O-TiO2 Systems", Metall. Trans., 24B, 795-805 (1993).

[2006]        G. Eriksson, P. Wu and A.D. Pelton, "Critical Evaluation and Optimization of the Thermodynamic Properties and Phase Diagrams of the MgO-Al2O3, MnO-Al2O3, FeO-Al2O3, Na2O-Al2O3 and K2O-Al2O3 Systems", Calphad Journal, 17, 189-206 (1993).

[2007]        A.D. Pelton, G. Eriksson and J.A. Romero-Serrano, "Calculation of Sulfide Capacities of Multicomponent Slags", Metall. Trans., 24B, 817-825 (1993). (Awarded TMS 1997 Extraction and Processing Science Award.)

[2008]        G. Eriksson, P. Wu, M. Blander and A.D. Pelton, "Critical Evaluation and Optimization of the Thermodynamic Properties and Phase Diagrams of the MnO-SiO2 and CaO-SiO2 Systems", Canad. Met. Quart., 33, 13-22 (1994).

[2009]        G. Eriksson, A.D. Pelton, E.Woermann and A. Ender, "Measurement and Thermodynamic Evaluation of Phase Equilibria in the Fe‑Ti‑O System", Ber. Bunsengesellschaft Phys. Chem., 100, 1839-49 (1996).

[2010]        S. Decterov and A.D. Pelton, "Critical Evaluation and Optimization of the Thermodynamic Properties and Phase Diagrams of the CrO‑Cr2O3, CrO‑Cr2O3‑Al2O3 and CrO‑Cr2O3‑CaO Systems", J. Phase Equilibria, 17, 476-487 (1996).

[2011]        S. Decterov and A.D. Pelton,  "Critical Evaluation and Optimization of the Thermodynamic Properties and Phase Diagrams of the CrO-Cr2O3-SiO2, and CrO-Cr2O3-SiO2‑Al2O3 Systems", J. Phase Equilibria, 17, 488-494 (1996).

[2012]        E. Jak, S. Decterov, P. Wu, P. Hayes and A.D. Pelton, "Thermodynamic Optimisation of the Systems PbO-SiO2, ZnO-SiO2 and PbO-ZnO-SiO2", Met. Trans., 28B, 1011-1018 (1997).

[2013]        S. Decterov and A.D. Pelton, "Critical Evaluation and Optimization of the Thermodynamic Properties and Phase Diagrams of the CrO-Cr2O3-SiO2‑CaO System". Met. Trans., 28B, 235-242 (1997).

[2014]        A.D. Pelton, G. Eriksson, G. Krajewski, M. Goebbels and E. Woermann, "Measurement and Thermodynamic Evaluation of Phase Equilibria in the Mg-Ti-O System", Z. Phys. Chem, 207, 163-180 (1998)

[2015]        E. Jak, S. Decterov, P. Hayes and A. D. Pelton, "Thermodynamic Optimisation of the Systems CaO-Pb-O and PbO-CaO-SiO2", Canad. Metall. Quart., 37, 41-47 (1998).

[2016]        A.D. Pelton and P. Wu, “Thermodynamic Modeling in Glass-forming Melts”, J. Noncrystalline Solids, 253, 178-191 (1999).

[2017]        A.D. Pelton, "Thermodynamic Calculation of Gas Solubilities in Oxide Melts and Glasses", Glastechnische Berichte, 72, 214-226 (1999).

[2018]        E. Jak, S. Decterov, A.D. Pelton & P.C. Hayes, "Coupled Experimental and Thermodynamic Study of the Zn-Fe-Si-O System", Met. & Mat. Trans., 32B, 793-800 (2001).

[2019]        S. Decterov, E. Jak, P. Hayes and A.D. Pelton, "Experimental Study of Phase Equilibria and Thermodynamic Optimization of the Fe-Zn-O System", Met. & Mat. Trans., 32B, 643-658 (2001).

[2020]        S.A. Decterov, I.-H. Jung and A.D. Pelton, "Thermodynamic Modeling of the FeO-Fe2O3-MgO-SiO2 System", J. Am. Ceramic Soc., 85, 2903-2910 (2002).

[2021]        P. Coursol, A.D. Pelton and M. Zamalloa, "Phase Equilibria and Thermodynamic Properties of the Cu2O-CaO-Na2O System in Equilibrium with Copper", Met. & Mat. Trans., 34B, 631-638 (2003).

[2022]        V. Swamy, S.A. Decterov and A.D. Pelton, "Thermodynamic Assessment of the Ge-Si-O-Cl-H System", Glass Science and Technology, 76 (2), 62‑70 (2003).

[2023]        I.-H. Jung, Y.-B Kang, S.A. Decterov and A.D. Pelton, "Thermodynamic Evaluation and Optimization of the MnO-Al2O3 and MnO-Al2O3-SiO2 Systems", Met. & Mat. Trans., 35B, 259-268 (2004).

[2024]        I.-H. Jung, S. Decterov, A.D. Pelton, H.-M. Kim and Y.-B. Kang, "Thermodynamic Evaluation and Modeling of the Fe-Co-O System", Acta Mat., 52[2], 507-519 (2004).

[2025]        S.A. Decterov, I.-H. Jung, E. Jak, Y.-B. Kang, P. Hayes and A.D. Pelton, "Thermodynamic Modeling of the Al2O3-CaO-CoO-CrO-Cr2O3-FeO-Fe2O3-MgO-MnO-NiO2-SiO2-S System and Applications in Ferrous Process Metallurgy, Proc. VII Int'l. Conference on Molten Slags, Fluxes and Salts, South African Inst. Mining & Metallurgy, Johannesburg, pp 839-849, (2004).

[2026]        Y.-B. Kang, I.-H. Jung, S. Decterov, A.D. Pelton and H.-G. Lee, "Phase Equilibria and Thermodynamic Properties of the CaO-MnO-Al2O3-SiO2 System by Critical Evaluation, Modeling and Experiment", ISIJ Int'l, 44 [6], 975-983 (2004).

[2027]        Y.-B. Kang, I.-H Jung, S. Decterov, A.D. Pelton and H.-G. Lee, "Thermodynamic Evaluation and Optimization of the CaO-MnO-SiO2 and CaO-MnO-Al2O3 Systems", ISIJ Int'l, 44 [6], 965-974 (2004).

[2028]        I.-H. Jung, S. Decterov and A.D. Pelton, "Critical Thermodynamic Evaluation and Optimization of the MgO-Al2O3, CaO-MgO-Al2O3 and MgO-Al2O3-SiO2 Systems", J. Phase Equilibria, 25, 329-345 (2004).

[2029]        I.-H. Jung, S. Decterov and A.D. Pelton, "Thermodynamic Modeling of the MgO-Al2O3-CrO-Cr2O3 System", J. Am. Ceram. Soc., 88 [7], 1921-1928 (2005).

[2030]        I.-H. Jung, S. Decterov and A.D. Pelton, "Thermodynamic Modeling of the Fe-Mg-O system", J. Phys. Chem. Solids, 65, 1683-1695 (2004).

[2031]        I.-H. Jung, S. Decterov and A.D. Pelton, "Thermodynamic Modeling of the FeO-Fe2O3-MgO-SiO2 System, Metall. and Mat. Trans. B., 35B, 877-889 (2004).

[2032]        I.-H. Jung, S. Decterov and A.D. Pelton, "Thermodynamic Modeling of the CaO-MgO-SiO2 System", J. Eur. Ceram. Soc., 25, 313-333 (2005).

[2033]        Y.-B. Kang, I.-H. Jung and H.-G. Lee, "Critical thermodynamic evaluation and optimization of the MnO-"TiO2"-"Ti2O3 System, Calphad, 30, 235-247 (2006).

[2034]        Y.-B. Kang, I.-H. Jung and H.-G. Lee, "Critical thermodynamic evaluation and optimization of the MnO-SiO2"TiO2"-"Ti2O3 System, Calphad, 30, 226-234 (2006).

[2035]         I.-H. Jung, "Critical evaluation and thermodynamic modeling of the Mn–Cr–O  system for the oxidation of SOFC interconnect", Solid State Ionics, 177, 765-777 (2006).

[2036]        Y.-B. Kang and I.-H. Jung, "Thermodynamic Modeling of the Mn-O System", unpublished research (to be submitted).

[2037]        Y.-B. Kang and I.-H. Jung, "Thermodynamic Modeling of the Fe-Mn-O System", unpublished research (to be submitted).

[2038]        Y.-B. Kang and I.-H. Jung, "Critical Evaluations and Thermodynamic Optimizations of the MnO-Mn2O3-SiO2 and FeO-Fe2O3-MnO-Mn2O3-SiO2 Systems (to be submitted).

[2039]        Y.-B. Kang and A. Pelton, "Thermodynamic Model and Databases for Gaseous Species in Molten Oxide Slags", (to be published in Proc. Int’l Sympos. Molten Salts and Slags, Santiago, 2009).

[2040]        Y.-B. Kang and I.-H. Jung, "Thermodynamic Modeling of Pyrometallurgical Oxide Systems Containing Mn Oxides”, (to be published in Proc. Int’l Sympos. Molten Salts and Slags, Santiago, 2009).

[2041]        I.-H. Jung, unpublished research.

[2042]        I.-H. Jung, “Thermodynamic Modeling of Gas Solubility In Molten Slags (I) -Carbon and Nitrogen”, ISIJ Int., 46, 1577-1586 (2006).

[2043]        I.-H. Jung, “Thermodynamic Modeling of Gas Solubility In Molten Slags (I) -Water, ISIJ Int.”, 46, 1587-1593 (2006).

[2044]        S.A. Decterov, V. Swamy and I.-H. Jung, "Thermodynamic Modeling of B2O3-SiO2 and B2O3-Al2O3 Systems", Int. J. Mat. Res. 98, 987-994 (2007).

[2045]        S.A. Decterov et al., “Thermodynamic optimization of the Al2O3-B2O3-CaO-MgO-SiO2 system”, unpublished research.

[2046]        S.A. Decterov et al., “Thermodynamic optimization of the B2O3-Na2O-SiO2 system”, unpublished research.

[2047]        E. Jak, P. Hayes, A. D. Pelton and S. A. Decterov, “Thermodynamic modeling of the Al2O3-CaO-FeO-Fe2O3-PbO-SiO2-ZnO system with addition of K and Na with metallurgical applications”, Proc. VIII Int’l Conf. on Molten Slags, Fluxes and Salts, Santiago, Chile, pp. 473-490 (2009).

[2048]        A. N. Grundy, H. Liu, I.-H. Jung, S. A. Decterov and A. D. Pelton, “Linking Thermodynamics, Structure and Viscosity of Alumosilicate Melts”, In: Computational Thermodynamics and Phase Transformations, Eds. Corbett Battaile and James R. Morris, TMS (The Minerals, Metals & Materials Society), USA, pp. 47-56 (2007).

[2049]        Kim W.-Y., A.D. Pelton and S.A. Decterov, "Modeling the Viscosity of Silicate Melts Containing Lead Oxide". Metall. Mater. Trans., 43B, 325-336 (2012).

[2050]        E. Jak, P. Hayes, A. Pelton and S. Decterov, “Thermodynamic optimisation of the FeO-Fe2O3‑SiO2 (Fe-O-Si) system with FactSage”, Int’l. J. Mat. Res., 9, 847-54 (2007).

[2051]        I.-H. Jung, S.A. Decterov and A.D. Pelton, “Thermodynamic modeling of the CoO-SiO2 and CoO-FeO-Fe2O3-SiO2 systems”, Int’l. J. Mat. Res., 9, 816-825 (2007).

[2052]        S.A. Decterov, A. N. Grundy, I.-H. Jung and A.D. Pelton, “Modeling the Viscosity of Aluminosilicate Melts”, In: Computational Methods in Science and Engineering, (Proc. Int. Conf. on Computational Methods in Science and Engineering), AIP (American Institute of Physics) Conference Proceedings, Vol. 963, Issue 2, Pt B, Eds. T. E. Simos and G. Maroulis, pp. 404-407 (2007).

[2053]        S. A. Decterov, A. N. Grundy and A. D. Pelton, “A Model and Database for the Viscosity of Molten Slags”, Proc. VIII Int’l Conf. on Molten Slags, Fluxes and Salts, Santiago, Chile, pp. 423-431 (2009).

[2054]        S.-C. Park, I.-H. Jung, K.-S. Oh and H.-G. Lee, "Effect of Al on the Evolution of Non-metallic Inclusions in Mn-Si-Ti-Mg Deoxidized Steel During Solidification: Experiments and Thermodynamic Calculations", ISIJ Int., 46, 1016-1023 (2006).

[2055]        V. Swamy, I.-H. Jung and S. A. Decterov, “Thermodynamic modeling of the Al2O3-B2O3-SiO2 system”, J. Non-Cryst. Solids, 355 (34-36), 1679–1686 (2009).

[2056]        S. Arnout, M. Guo, I.-H. Jung, B. Blanpain and P. Wollants, “Experimental determination of CaO-CrO-Cr2O3-MgO-SiO2 and thermodynamic modeling of the CrO-Cr2O3-MgO-SiO2 system”, J. Am. Ceram. Soc., 2009, vol. 92, pp. 1831-1839.

[2057]        A.D. Pelton, "Thermodynamic database development – Modeling and Phase Diagram Calculation in Oxide Systems", Rare Metals, 25, 473-480 (2006).

[2058]        Youn-Bae Kang and Arthur Pelton, “Thermodynamic Model and Database for Sulfides Dissolved in Molten Oxide Slags”, Materials Transactions, 40B, 979-994 (2009).

[2059]        In-Ho Jung, Gunnar Eriksson, Ping Wu and Arthur Pelton, “Thermodynamic Modeling of the Al2O3-Ti2O3-TiO2 System and its Applications to the Fe-Al-Ti-O Inclusion Diagram”, ISIJ, 49, 1290-97 (2009).

[2060]        Y.-B. Kang and A.D. Pelton, “Thermodynamic Model and Database for Gaseous Species in Molten Oxide Slags”, Proc. VII Int’l Conf. Molten Slags, Salts and Fluxes, Santiago, Gecamin Ltd., pp.45 (2008).

[2061]        Youn-Bae Kang and Arthur Pelton, “Thermodynamic Model and Database for Sulfides Dissolved in Molten Oxide Slags”, Materials Transactions, 40B, 979-994 (2009).

[2062]        W.-Y. Kim, X. Yang, L. Yan, A. D. Pelton and S. A. Decterov, “Modeling Viscosity of Silicate Melts Containing Zinc Oxide”, Calphad, 35, 542–550 (2011).

[2063]        V. Prostakova, J. Chen, E. Jak and S. A. Decterov, “Experimental study and thermodynamic optimization of the CaO-NiO, MgO-NiO and NiO-SiO2 systems”, Calphad, 37, 1-10 (2012).

[2064]        D. Shishin and S. A. Decterov, “Critical assessment and thermodynamic modeling of Cu-O and Cu-O-S systems”, Calphad, 38, 59-70 (2012).

[2065]        E. Jak, P. C. Hayes, A. D. Pelton and S. A. Decterov, “Thermodynamic modelling of the Al2O3–CaO–FeO–Fe2O3–PbO–SiO2–ZnO system with addition of K and Na with metallurgical applications”, IMM Transactions Section C: Mineral Processing and Extractive Metallurgy, submitted.

 [2066]        V. Prostakova, J. Chen, E. Jak and S. A. Decterov, “Experimental study and thermodynamic optimization of the MgO–NiO–SiO2 system”, J. Chem. Thermodynamics, 62, 43–55 (2013).

[2067]        J. Chen, V. Prostakova, P. C. Hayes, S. A. Decterov and E. Jak, “High temperature phase equilibria in nickel-containing oxide and silicate systems relevant to ferro-nickel production”, Proc. International Ferroalloy Congress INFACON XIII, Almaty, Kazakhstan (2013), pp. 723-732 (2013).

 [2068]       Youn-Bae Kang, Critical Evaluation and Thermodynamic Optimization of the VOVO2.5 System, J. Eur. Ceram. Soc., 32, 31873198 (2012).

 

 [2069]       Rongxun Piao, Hae-Geon Lee, and Youn-Bae Kang, Experimental Investigation of Phase Equilibria and Thermodynamic Modeling of the CaOAl2O3CaS and the CaOSiO2CaS Oxysulfide Systems, Acta Mater., 61, 683-696 (2012).

 

 [2070]       G. Lambotte, “Modélisation Thermodynamique du système AlF3-NaF- SiF4-Al2O3-Na2O-SiO2, Ph.D. Thesis, Ecole Polytechnique, Montreal (2012).

 

 [2071]       G. Lambotte and P. Chartrand, “Thermodynamic modeling of the (Al2O3+Na2O), (Al2O3+Na2O+SiO2) and (Al2O3+Na2O+AlF3+NaF) systems”, J. Chem. Thermodynamics, 57, 306-334 (2013).

 

[2072]      E. Moosavi-Khoonsari and I.-H. Jung, “Critical Evaluation and Thermodynamic Optimization of the Na2O-FeO-Fe2O3 System”, Metall. Mater. Trans. B., 47, 576-594 ( 2016).

 

[2073]      Sourav Panda and In-Ho Jung, “Comment on "Some Thermodynamic Aspects of the Oxides of Chromium" by A. Mittal, G. J. Albertsson, G.S. Gupta, S. Seetharaman, and S. Subramanian”, Metall. Mater. Trans. B, Communication paper, 46, 5-6 (2015).

 

[2074]      Hudon and In-Ho Jung, "Critical evaluation and thermodynamic optimization of the CaO-P2O5 system", Metall. Mater. Trans. B, 46, 494-522 (2015).

 

[2075]      Sourav Panda and In-Ho Jung, “Critical evaluation and thermodynamic modeling of the Mg-Mn-O (MgO-MnO-MnO2) system”, J. Amer. Ceram. Soc. 2014, vol. 97, pp. 3328–3340.

 

[2076]      Marie-Aline Van Ende, and In-Ho Jung, “Development of a thermodynamic database for mold flux and applications to the continuous casting process”, ISIJ Inter. Vol. 54, 2014, pp. 489-495.

 

[2077]      Saikat Chatterjee and In-Ho Jung, “Critical evaluation and thermodynamic modeling of the Al-Mn-O (Al2O3-MnO-Mn2O3) system”, J. Euro. Ceram. Soc., vol. 34, 2014, 1611-1621.

 

[2078]      Miftaur Rahman, Pierre Hudon and In-Ho Jung, “A coupled experimental study and thermodynamic modeling of the SiO2-P2O5 system”, Metall. Mater. Trans., B, 2013, vol. 44, pp 837-852.

 

[2079]      In-Ho Jung, Pierre Hudon, Wan-Yi Kim, Marie-Aline van Ende, Miftaur Rahman, Gabriel Garcia Curie, “Thermodynamic Database of P2O5-containing Oxide Systems for the Dephosphorization Process in Steelmaking”, High Temperature Materials and Process, 2013, vol. 32, 247-254.

 

[2080]      I.-H. Jung and Pierre Hudon, “Thermodynamic assessment of P2O5”, J. Am. Ceram. Soc., 2012, Vol. 95, pp. 3665–3672.

 

[2081]      D.-G. Kim, C.V. Hoek, C. Liebske, S. van der Laan, M.A. Van Ende and I.-H. Jung, “A critical evaluation and thermodynamic optimization of the CaO-CaF2 System”, Metall. Mater. Trans. B, 2012, Vol. 43, pp. 1315-1325.

 

[2082]      D.-G. Kim, C. V. Hoek, C. Liebske, S. van der Laan, P. Hudon and I.-H. Jung, “Phase diagram study of the CaO-CaF2 System”, ISIJ Inter., 2012, Vol. 52, p. 1945–1950.

 

[2083]      I.-H. Jung and Y. Zhang, “Thermodynamic calculations for the dephosphorization of silicon using molten slag”, JOM, 2012, pp. 973-981.

 

[2084]      D.-H. Woo, H.-G. Lee and I.-H. Jung, “Thermodynamic modeling of the NiO-SiO2, MgO-NiO, CaO-NiO-SiO2, MgO-NiO-SiO2, CaO-MgO-NiO and CaO-MgO-NiO-SiO2 systems”, J. Eur. Ceram. Soc., 2011, vol. 31, pp. 43-59.

 

[2085]      I.-H. Jung and Y.-B. Kang, “Comment on "Thermodynamic modelling of an Al2O3-MnO system using the ionic model" by A. B. Farina and F. B. Neto”, Calphad, 2011, vol. 35(2), pp. 255-257.

 

[2086]      D. Nassyrov and I.-H. Jung, “Thermodynamic modeling of the CaO-FetO-CaF2 system for application in electro slag remelting”, 4th Inter. Symp on High-Temperature Metallurgical Processing - TMS 2013, pp. 425-433.

 

[2087]      E. M. Khoonsari and I.-H. Jung, "Thermodynamic modeling of sulfide capacity in Na2O-FetO-SiO2 system", 5th International Conference on Science and Technology of Steelmaking 2012, Dresden, 2012.

 

[2088]      D.-G. Kim, M.-A. Van Ende, C. van Hoek, C. Liebske, S. van der Laan, P. Hudon and I.-H. Jung, “Coupled phase diagram and thermodynamic modeling of the CaO-CaF2 System”, Molten12, Beijing, China, 2012.

 

[2089]      I.-H. Jung, S.A. Decterov and A.D. Pelton, "Physico-chemical modeling of slag and mattes for Ni and Co production", Pyrometallurgy of Nickel and Cobalt, 2009, pp. 317-328.

 

[2090]      I.-H. Jung, "Thermodynamic modeling of CaF2 containing system and its applications to steelmaking process", Asia Steel, 2009, paper # S3-30.

 

[2091]      Y.-B. Kang and I.-H. Jung, "Thermodynamic modeling of pyrometallurgical oxide systems containing Mn oxides", Molten, 2009, pp. 459-471.

 

[2092]      V. Prostakova, J. Chen, E. Jak and S. A. Decterov, “Experimental investigation and thermodynamic modeling of the NiO–CaO–SiO2, NiO–CaO–MgO and NiO–CaO–MgO–SiO2 systems”, J. Chem. Thermodynamics, 86, 130–142 (2015).

 

[2093]      D. Shishin, E. Jak and S. A. Decterov, “Critical assessment and thermodynamic modeling of the Fe–O–S system”, J. Phase Equil. Diff., 36 (3), 224-240 (2015).

 

[2094]      T. Hidayat, D. Shishin, E. Jak and S. A. Decterov, “Thermodynamic Reevaluation of the Fe-O System”, Calphad, 48, 131–144 (2015).

 

[2095]      C. A. Becker, J. Ågren, M. Baricco, Q. Chen, S. A. Decterov, U. R. Kattner, J. H. Perepezko, G. R. Pottlacher and M. Selleby, “Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics”, Phys. Status Solidi B 251 (1), 33–52 (2014).

 

[2096]      T. Hidayat, D. Shishin, S. A. Decterov and E. Jak, “Experimental study and thermodynamic re-evaluation of the FeO-Fe2O3-SiO2 system”, Metall. Mater. Trans. B, submitted (2013).

 

[2097]      T. Hidayat, D. Shishin, S. A. Decterov and E. Jak, “Thermodynamic optimization of the CaO-FeO-Fe2O3 system”, Metall. Mater. Trans. B, 47B (1), 256-281 (2016).

 

[2098]      T. Hidayat, D. Shishin, S. A. Decterov and E. Jak, “Critical thermodynamic evaluation and optimization of the CaO-FeO-Fe2O3-SiO2 system”, Metall. Mater. Trans. B, accepted (2013).

 

[2099]      D. Shishin, T. Hidayat, E. Jak and S. A. Decterov, “Critical assessment and thermodynamic modeling of the Cu–Fe–O system”, Calphad, 41, 160–179 (2013).

 

[2100]      T. Hidayat, D. Shishin, S. A. Decterov, P. Hayes and E. Jak, “Integrated experimental and modelling research on copper-making slags”, Proc. COM 2014, Bill Davenport Symposium, Vancouver, BC, Canada (Sep. 28 – Oct. 1, 2014), accepted.

 

[2101]      T. Hidayat, D. Shishin and S. A. Decterov, E. Jak, “A thermodynamic optimization of the “Cu2O”-containing slag system and its applications in high-temperature copper making processes, Copper Int. Conf, Copper 2013, The Nickolas Themelis Symposium On Copper Pyrometallurgy And Process Engineering, Santiago, Chile, Dec. 2013, Paper PY15.

 

[2102]      J. Chen, V. Prostakova, P. C. Hayes, S. A. Decterov and E. Jak, “High temperature phase equilibria in nickel-containing oxide and silicate systems relevant to ferro-nickel production”, Proc. International Ferroalloy Congress INFACON XIII, Almaty, Kazakhstan, pp. 723-732 (2013).

 

[2103]      J. Chen, V. Prostakova, E. Jak, S. A. Decterov, “Development of NiO-CaO-MgO-SiO2 thermodynamic database using experimental and thermodynamic modelling approaches with focus on NiO-MgO-SiO2 and NiO-CaO-SiO2 systems”, Proc. 9th Int. Conf. on Molten Slags, Fluxes and Salts (MOLTEN12), Beijing, China, May 2012, paper W073, 11 pp.

 

[2104]      E. Brosh, A.D. Pelton and S.A. Decterov, "A Model to Calculate the Viscosity of Silicate Melts. Part V: Borosilicate melts containing alkali oxides". Int. J. Mat. Res., 103, 537-550 (2012).

 

[2105]      W.-Y. Kim, A.D. Pelton and S.A. Decterov, "A Model to Calculate the Viscosity of Silicate Melts. Part III: Modification of the model for melts containing alkali oxides". Int. J. Mat. Res., 103, 313-328 (2012).

 

[2106]      E. Brosh, A.D. Pelton and S.A. Decterov, "A Model to Calculate the Viscosity of Silicate Melts. Part IV: Borosilicate melts". Int. J. Mat. Res., 103, 494-501 (2012).

 

[2107]      Rongxun Piao, Hae-Geon Lee and Youn-Bae Kang, "Experimental investigation of phase
                equilibria and thermodynamic modeling of the CaO-Al2O3-CaS and the CaO-SiO2-CaS
                oxysulfide systems," Acta Materialia, Vol 61, Pages 683-696 (2013).

 

[2108]      S. Kown, “Thermodynamic Optimization of ZrO2-Containing Systems in the CaO-MgO-SiO2-Al2O3-ZrO2 System”, Master’s thesis, McGill University, Montreal, Canada (2015).

 

[2109]      S. Kwon and I.-H. Jung, “Critical Evaluation and Thermodynamic Optimization of the CaO-ZrO2 and SiO2-ZrO2 Systems”, J. European Ceramic Soc., (2016) in press.

 

[2110]      S. Kwon, W.-Y. Kim, P. Hudon, and I.-H. Jung, “Thermodynamic modeling of the CaO-SiO2-ZrO2 system coupled with key phase diagram experiments” J. European Ceramic Soc., (2016) in press.

 

[2111]      E. Moosavi-Khoonsari, and In-Ho Jung, “A coupled experimental phase diagram study and thermodynamic optimization of the Na2O-FeO-Fe2O3-Al2O3 system: Part 2. Thermodynamic optimization”, J. Amer. Ceram. Soc. 99, 715–722 (2016)

 

[2112]      E. Moosavi-Khoonsari, P. Hudon, and I.-H. Jung, “A coupled experimental phase diagram study and thermodynamic optimization of the Na2O-FeO-Fe2O3-Al2O3 system: Part 1. Experimental phase diagram study”, J. Amer. Ceram. Soc. 99, 705–714 (2016).

 

[2113]      E. Moosavi-Khoonsari and I.-H. Jung, “Critical Evaluation and Thermodynamic Optimization of the Na2O-FeO-Fe2O3-SiO2 System”, Metall. Mater. Trans. B, 47, 291-308 (2016).

 

[2114]      E. Moosavi-Khoonsari and I.-H. Jung, “Critical evaluation and thermodynamic optimization of the Na2O-FeO-Fe2O3-Al2O3-SiO2 system”, J. Euro. Ceram. Soc, 37, 787-800 (2017).

 

[2115]      E. Moosavi-Khoonsari and I.-H. Jung, “Thermodynamic Modeling of Sulfide Capacity of Na2O-Containing Oxide Melts”, Metall. Mater. Trans. B, 47, 2875–2888 (2016).

 

[2116]      I.-H. Jung, and E. Moosavi-Khoonsari, “Limitation of sulfide capacity concept for molten slags”, Metall. Mater. Trans. B, 47, 819-823 (2016).

 

[2117]      Pierre Hudon and In-Ho Jung, "Critical evaluation and thermodynamic optimization of the CaO-P2O5 system", Metall. Mater. Trans. B, Vol. 46, 2015, pp 494-522.

 

salt systems

[3001]        A.D. Pelton, A. Gabriel and J. Sangster, "Liquidus Measurements and Coupled Thermodynamic-Phase Diagram Analysis of the NaCl‑KCl System", J. Chem. Soc., Farad. Trans. I, 81(5), 1167‑1172 (1985).

[3002]        J. Sangster and A.D. Pelton, "Phase Diagrams and Thermodynamic Properties of the 70 Binary Alkali Halide Systems Having Common Ions", J. Phys. Chem. Ref. Data, 16(3), 509‑61 (1987).

[3003]        Y. Dessureault, J. Sangster and A.D. Pelton, "Coupled Phase Diagram-Thermodynamic Analysis of the 24 Binary Systems A2CO3‑AX and A2SO4‑AX where A = Li, Na, K and X = Cl, F, NO3, OH", J. Phys. Chem. Ref. Data, 19(5), 1149-1178 (1990).

[3004]        Y. Dessureault, J. Sangster et A.D. Pelton, "Evaluation Critique des Données Thermodynamiques et des Diagrammes de Phases des Systèmes AOH‑AX, ANO3‑AX,  ANO3‑BNO3, AOH‑BOH où A, B = Li, Na, K et X = Cl, F, NO3, OH", J. Chim. Phys., 87(3), 407-453 (1990).

[3005]        Y. Dessureault, J. Sangster and A.D. Pelton, "Coupled Phase Diagram/Thermodynamic Analysis of the 9 Common‑ion Binary Systems Involving  the Carbonates and Sulfates of Li, Na and K", J. Electrochem. Soc., 137(9), 2941-50 (1990).

[3006]        J. Sangster and A.D. Pelton, "Thermodynamic Calculation of Phase Diagrams of the 60 Common-Ion Ternary Systems Containing Cations Li, Na, K, Rb, Cs and Anions F, Cl, Br, I", J. Phase Equilibria, 12(5), 511-537 (1991).

[3007]        P. Chartrand and A.D. Pelton, "Thermodynamic Evaluation and Optimization of the LiCl-NaCl-KCl-RbCl-CsCl-MgCl2-CaCl2-SrCl2 System Using the Modified Quasichemical Model", Canad. Metall. Quart., 39(4), 405-420 (2000).

[3008]        P. Chartrand and A.D. Pelton, "Thermodynamic Evaluation and Optimization of the LiCl-NaCl-KCl-RbCl-CsCl-MgCl2-CaCl2 System Using the Modified Quasichemical Model", Met. & Mat. Trans., 32A, 1361-83 (2001).

[3009]        P. Chartrand and A.D. Pelton, "Thermodynamic Evaluation and Optimization of the LiF-NaF-KF-MgF2-CaF2 System Using the Modified Quasichemical Model", Met. & Mat. Trans., 32A, 1385-96 (2001).

[3010]        P. Chartrand and A.D. Pelton, "Thermodynamic Evaluation and Optimization of the Li, Na, K, Mg, Ca//F, Cl Reciprocal System Using the Modified Quasichemical Model", Met. & Mat. Trans., 32A, 1417-30 (2001).

[3011]        P. Chartrand and A.D. Pelton, "Thermodynamic Evaluation and Optimization of the LiCl-NaCl-KCl-RbCl-CsCl-MgCl2-CaCl2-SrCl2-BaCl2 System Using the Modified Quasichemical Model", Canad. Metall. Quart., 40(1), 13-32 (2000).

[3012]        P. Chartrand and A.D. Pelton, "A Predictive Thermodynamic Model for the Al-NaF-AlF3-CaF2-Al2O3 System", Light Metals 2002, 245-252 (2002).

[3013]        C. Robelin, P. Chartrand and A.D. Pelton, "Thermodynamic Evaluation and Optimization of the MgCl2-CaCl2-MnCl2-FeCl2-CoCl2-NiCl2 System", J. Chem. Thermodyn., 36(9), 793-808 (2004).

[3014]        C. Robelin, P. Chartrand and A.D. Pelton, "Thermodynamic Evaluation and Optimization of the NaCl-KCl-MgCl2-CaCl2-MnCl2-FeCl2-CoCl2-NiCl2 System", J. Chem. Thermodyn., 36(9), 809-28 (2004).

[3015]        C. Robelin, P. Chartrand and A.D. Pelton, "Thermodynamic Evaluation and Optimization of the NaCl-KCl-AlCl3 System", J. Chem. Thermodyn., 36(8), 683-699 (2004).

[3016]        C. Robelin, Master’s Thesis, Ecole Polytechnique, Montreal, 1997.

[3017]        J. Sangster, “Thermodynamics and Phase Diagrams of 32 Binary Common-Ion Systems of the Group Li,Na,K,Rb,Cs//F,Cl,Br,I,OH,NO3”, J. Phase Equilibria, 21(3), 241-68 (2000).

[3018]        S. Yimin, PhD Thesis, Beijing Univ. Science and Technology (1999).

[3019]        E. Shibata, Unpublished work (2001).

[3020]        P. Coursol, A.D. Pelton, P. Chartrand and M. Zamalloa,"The CaSO4-Na2SO4-CaO Phase Diagram", Canadian Metall. Quarterly, 44, 537-546 (2005).

[3021]        P. Coursol, A.D. Pelton, P. Chartrand and M. Zamalloa, Award for Best Paper in 2005 "The CaSO4-CaO-Ca3(AsO4)2 Phase Diagram", Canadian Metall. Quarterly, 44, 547-553 (2005).

[3022]        P. Coursol, A.D. Pelton, P. Chartrand and M. Zamalloa,"The Ca(SO4)-Na2(SO4)-Ca3(AsO4)2-Na3(AsO4) Phase Diagram", Metall. & Mat. Trans., 36B, 825-836 (2005).

[3023]        C. Robelin, P. Chartrand and A.D. Pelton,"A Thermodynamic Database for AlCl3-Based Molten Salt Systems", Molten Salts XIV (Proceedings Volume PV 2004-24), R.A. Mantz, P.C. Trulove, H.C. De Long, G.R. Stafford, R. Hagiwara and D.A. Costa Editors, pp. 108-121 (2006)

[3024]        C. Robelin, G. Eriksson, A.D. Pelton and P. Chartrand, “Models for the Thermodynamic Properties, Density and Viscosity of Molten Salts”, Proc. VIII Int’l Conf. Molten Slags, Fluxes and Salts, Santiago (2009).

[3025]        C. Robelin and P. Chartrand, “A Density Model Based on the Modified Quasichemical Model and Applied to the NaF-AlF3-CaF2-Al2O3 Electrolyte”, Metal. and Mater. Trans. B., 38B(6), 881-892, 2007.

[3026]        C. Robelin, P. Chartrand and G. Eriksson, “A Density Model for Multicomponent Liquids Based on the Modified Quasichemical Model: Application to the NaCl-KCl-MgCl2-CaCl2 System”, Metal. and Mater. Trans. B., 38B(6), 869-879, 2007.

[3027]        D. Lindberg, R. Backman and P. Chartrand, “Thermodynamic evaluation and optimization of the NaCl-Na2SO4-Na2CO3-KCl-K2SO4-K2CO3 system”, J. Chem. Thermo., 39(7), 1001-1021, 2007.  (Fondation Polytechnique).

[3028]        D. Lindberg, R. Backman and P. Chartrand, “Thermodynamic evaluation and optimization of the Na2S-Na2SO4-Na2CO3-K2S-K2SO4-K2CO3 system”, J. Chem. Thermo., 39(6), 942-960, 2007.  (Fondation Polytechnique).

[3029]        D. Lindberg, R. Backman and P. Chartrand, “Thermodynamic evaluation and optimization of the Na2SO4-K2SO4-Na2S2O7-K2S2O7 system”, J. Chem. Thermo, 38[12], 1568-1583, 2006.

[3030]        D. Lindberg, R. Backman, M. Hupa and P. Chartrand, “Thermodynamic evaluation and optimization of the Na-K-S system”, J. Chem. Thermo., 38[7], 900-915, 2006.

[3031]        M. Heyrman and P. Chartrand, “A Thermodynamic Model for the NaF-KF-AlF3-NaCl-KCl-AlCl3 System”, Light Metals 2007, ed. M. Sørlie, TMS, 519-524, 2007.

[3032]        C. Robelin and P. Chartrand, “Predictive Models for the Density and Viscosity of the NaF-AlF3-CaF2-Al2O3 Electrolyte”, Light Metals 2007, ed. M. Sørlie, TMS, 565-570, 2007.

[3033]        C. Robelin, P. Chartrand and A.D. Pelton, “A Thermodynamic Database for AlCl3-Based Molten Salt Systems”, Molten Salts XIV (Proceedings Volume PV 2004-24), R.A. Mantz, P.C. Trulove, H.C. De Long, G.R. Stafford, R. Hagiwara and D.A. Costa Editors, pp.108-121, 2006.

[3034]        D. Lindberg, R. Backman, M. Hupa, and P. Chartrand, “Thermodynamic Evaluation and Optimization of the Na2SO4-K2SO4-SO3 System”, Proc. 7th International Symposium of Molten Salts Chemistry and Technology, Toulouse, France, pp.773-776, September (2005)

[3035]        G. Lambotte and P. Chartrand, “Thermodynamic optimization of the (Na2O + SiO2 + NaF + SiF4) reciprocal system using the Modified Quasichemical Model in the Quadruplet Approximation”, J. Chem. Thermo., 43(11), p.1678-1699, 2011.

[3036]        E. Renaud, C. Robelin, A. Gheribi and P. Chartrand, “Thermodynamic evaluation and optimization of the Li, Na, K, Mg, Ca, Sr // F, Cl reciprocal system”, J. Chem. Thermo., 43(8), p.1286-1298, 2011.

[3037]        C. Robelin and P. Chartrand, “A viscosity model for the (NaF + AlF3 + CaF2 + Al2O3) electrolyte”, J. Chem. Thermo., 43(5), p.764-774, 2011.

[3038]        C. Robelin and P. Chartrand, “Thermodynamic evaluation and optimization of the (NaCl + KCl + MgCl2 + CaCl2 + ZnCl2) system”, J.  Chem. Thermo., 43(3), p.377-391, 2011.

[3039]        E. Renaud, C. Robelin, M. Heyrman and P, Chartrand, “Thermodynamic evaluation and optimization of the (LiF + NaF + KF + MgF2 + CaF2 + SrF2) system”, J. Chem. Thermodyn., 41(5), 666-682, 2009.

[3040]        G. Lambotte and P. Chartrand, “Thermodynamic Evaluation and Optimization of the Al2O3–SiO2–AlF3–SiF4 Reciprocal System Using the Modified Quasichemical Model”, J. Am. Ceram. Soc., 94, 4000-4008 (2011).

[3041]       G. Lambotte, “Modélisation Thermodynamique du système AlF3-NaF- SiF4-Al2O3-Na2O-SiO2, Ph.D. Thesis, Ecole Polytechnique, Montreal (2012).

[3042]       C. Robelin and P. Chartrand, “Thermodynamic Evaluation and Optimization of the (NaF + AlF3 + CaF2 + BeF2 + Al2O3 + BeO) System”, J.  Chem. Thermodyn., 57, 387-403 (2013).

[3043]       G. Lambotte and P. Chartrand, “Thermodynamic modeling of the (Al2O3+Na2O), (Al2O3+Na2O+SiO2) and (Al2O3+Na2O+AlF3+NaF) systems”, J. Chem. Thermodynamics, 57, 306-334 (2013).

[3044]       C. Robelin and P. Chartrand, “Thermodynamic evaluation and optimization of the (NaF + AlF3 + CaF2 + BeF2 + Al2O3 + BeO) system”, J. Chem. Thermodynamics, 57, 387-403 (2013).

[3045]   P. Ouzilleau, C. Robelin and P. Chartrand, “A Density Model Based on the Modified Quasichemical Model and Applied to the (NaCl + KCl + ZnCl2) Liquid”, J. Chem. Thermodyn., 47, 171-176 (2012).

 

[3046]   P. Chartrand, F. Gemme and C. Robelin, “A Thermodynamic Model for the NH4+, K+ // H2PO4-, H2P2O72-, NO3-, Cl- - H2O System”, 2nd Int’l Symposium on Innovation and Technology in the Phosphate Industry [SYMPHOS 2013] (Agadir), Procedia Engineering, 83, 250-258 (2014).

 

[3047]   C. Robelin, P. Chartrand and A.D. Pelton, “Thermodynamic Evaluation and Optimization of the (NaNO3 + KNO3 + Na2SO4 + K2SO4) System”, accepted for publication in “J. Chem. Thermodyn.” (2014).

 

[3048]   D. Lindberg, R. Backman, P. Chartrand and M. Hupa, “Towards a Comprehensive Thermodynamic Database for Ash-forming Elements in Biomass and Waste Combustion – Current Situation and Future Developments”, Fuel Processing Technology, 105 (2013) 129-141.

 

[3049]   P. Coursol, G. Dufour, J. Côté, P. Chartrand and P. Mackey, “Application of Thermodynamic Models for Better Understanding and Optimization of the Hall-Heroult Process”, JOM, 64(11), 1326-33, 2012.

 

[3050]   D. Lindberg and P. Chartrand, “Thermodynamic evaluation and optimization of the (Ca+C+O+S) system”, J. Chem. Thermodyn., 41(10), 1111-1124, 2009.

 

[3051]   E. Renaud, C. Robelin, M. Heyrman and P. Chartrand, “Thermodynamic evaluation and optimization of the (LiF + NaF + KF + MgF2 + CaF2 + SrF2) system”, J. Chem. Thermodyn., 41(5), 666-682, 2009.

 

miscellaneous systems (sulfides, alloys,pitzer)

[4001]        C.E. Harvie and J.H. Weare, Geochim. Cosmochim. Acta, 44, 981 (1980).

[4002]        C.E. Harvie and J.H. Weare, Geochim. Cosmochim. Acta, 48, 723 (1984).

[4003]        P. Chartrand and A.D. Pelton, "Critical Evaluation and Optimization of the Thermodynamic Properties and Phase Diagrams of the Al-Mg, Al-Sr, Mg-Sr and Al-Mg-Sr Systems", J. Phase Equilibria, 15, 591-605 (1994). (Awarded Prize for Best Paper Written by a Student.)

[4004]        M.-C. Heuzey and A.D. Pelton, "Critical Evaluation and Optimization of the Thermodynamic Properties of Liquid Tin Solutions", Metall. Trans., 27B, 810-828 (1996).

[4005]        S.A. Decterov, J. L'Ecuyer and A.D. Pelton, "Thermodynamic Optimization of the Se-As System", J. Phase Equilibria, 18, 357-368 (1997).

[4006]        F. Kongoli, Y. Dessureault and A.D. Pelton, "Thermodynamic Modeling of Liquid Fe-Ni-Co-Cu-S Mattes", Met. Trans.,29B, 591-601 (1998).

[4007]        S.A. Decterov and A.D. Pelton, "Thermodynamic Modeling of Lead Distribution Among Matte, Slag and Liquid Copper", Metall. Mat. Trans., 30B, 1033-1044(1999).

[4008]        S. Decterov and A.D. Pelton, “A Thermodynamic Database for Copper Smelting and Converting”, Metall. & Mat. Trans., 30B, 661-670 (1999).

[4009]        F. Kongoli and A.D. Pelton, "Model Prediction of Thermodynamic Properties of Co-­Fe-­Ni-­S Mattes", Metall. Trans., 30B, 443-450 (1999).

[4010]        S.A.Decterov, Y. Dessureault and A.D. Pelton, "Thermodynamic Modeling of Zinc Distribution among Matte, Slag and Liquid Copper", Canad. Metall. Quart., 39, 43-54 (2000).

[4011]        M. Piché, A.D. Pelton and C. Brochu, "A Thermodynamic Database for Magnesium Alloys", Proc. "Magnesium Technology 2003", TMS Meeting, San Diego, May 2003, TMS-AIME, Warrendale, PA., pp 295-298(2003).

[4012]        P. Waldner and A.D.Pelton, "Thermodynamic Assessment of the Fe-Ni-S System", Metall. and Mat. Trans., 35B, 897-907 (2004).

[4013]        P. Waldner and A.D. Pelton, "Thermodynamic Modeling of the Ni-S System", Z. Metallkunde, 95, 672-681 (2004).

[4014]        I.-H. Jung, S.A. Decterov and A.D. Pelton, "A Thermodynamic Model for Deoxidation Equilibria in Steel", Met. & Mat. Trans., 35B, 493-508 (2004).

[4015]        P. Waldner and A.D. Pelton, "Thermodynamic Modeling of the Fe-S System", J. Phase Equilibria and Diffusion, 26, 23-38 (2005).

[4016]        Y. Dessureault, Ph.D. thesis, Ecole Polytechnique, Montreal (1993).

[4017]        M.-P. Paquin, M.Sc.App. thesis, Ecole Polytechnique, Montreal (2003).

[4018]        P. Waldner, internal reports, to be published.

[4019]        Y.-B. Kang, "Critical evaluations and thermodynamic optimizations of the Mn-S and the Fe-Mn-S systems", Calphad Journal, 34, 232-244 (2010).

[4020]        Ye-Jin Kim, Dae-Hee Woo, Henri Gaye, Hae-Geon Lee and You-Bae Kang, “Thermodynamics of MnO-SiO2-Al2O3-MnS Liquid Oxysulfide: Experimental and Thermmodynamic Modeling”, Metall. Mater. Trans. B., 42B, 535-546 (2011)

[4021]        Youn-Bae Kang and Joo Hyun Park, “On the Dissolution Behavior of Sulfur in Ternary Silicate Slags”, Metall. Mater. Trans. B., 42B, 1211-1217 (2011)

[4022]        D. Lindberg and P. Chartrand, “Thermodynamic evaluation and optimization of the (Ca+C+O+S) system”, J. Chem. Thermodyn., 41, 1111-1124 (2009).

[4023]       D. Shishin and S. A. Decterov, “Critical assessment and thermodynamic modeling of Cu-O and Cu-O-S systems”, Calphad, 38, 59-70 (2012).

METALLIC SYSTEMS

[4501]        A. Shukla, Y.-B. Kang and A.D. Pelton, “Thermodynamic Assessment of the Si-Zn, Mn-Si, Mg-Si-Zn and Mg-Mn-Si systems”, Calphad, 32, 470-477 (2008).

[4502]        A. Shukla and A.D. Pelton, “Thermodynamic Assessment of the Al-Mn and Mg-Al-Mn Systems”, J. Phase Equilibria and Diffusion, 30, 28-29 (2009).

[4503]        A. Shukla, Y.-B. Kang and A.D. Pelton, “Thermodynamic Assessment of the Ce-Si, Y-Si, Mg-Ce-Si and Mg-Y Systems”, Int’l. J. of Materials Research, 100, 208-217 (2009).

[4504]        P. Spencer, A.D. Pelton, Y.-B. Kang, P. Chartrand and C.D. Fuerst, “Thermodynamic Assessment of the Ca-Zn, Sr-Zn, Y-Zn, and Ce-Zn Systems”, Calphad Journal, 32, 423-431 (2008).

[4505]        Youn-Bae Kang,  Celil Aliravci, Philip J. Spencer, Gunnar Eriksson, Carlton D. Fuerst, Patrice Chartrand and Arthur D. Pelton, “Thermodynamic and Volumetric Databases and Software for Magnesium Alloys”, J. of Metals, 61, 75-82 (2009).

[4506]        Y.-B. Kang, A.D. Pelton, P. Chartrand and C.D. Fuerst, “Critical Evaluation and Thermodynamic Optimization of the Al-Ce, Al-Y, Al-Sc and Mg-Sc Systems”, Calphad Journal, 32, 413-422 (2008).

[4507]        Youn-Bae Kang, Arthur D. Pelton, Patrice Chartrand, Philip Spencer and Carlton D. Fuerst, "Thermodynamic Database Development of the Mg-Ce-Mn-Y system for Mg Alloy Design",  Metallurgical and Materials Transactions A,  38A, 1231-43 (2007).

[4508]        Youn-Bae Kang, Arthur D. Pelton, Patrice Chartrand, Philip Spencer and Carlton D. Fuerst, "Critical Evaluation and Thermodynamic Optimization of the Binary Systems in the Mg-Ce-Mn-Y System", Journal of Phase Equilibria and Diffusion, 28, 342-54 (2007)

[4509]        A. Pisch, N. Jakse, A. Pasturel, J.-P. Harvey, P. Chartrand, “Structural stability in the Al-Li-Si system”, Applied Physics Letters, 90(25), 251902/1-251902/3 (2007).

[4510]        M. Heyrman and P. Chartrand, “Thermodynamic Evaluation and Optimization of the Ca-Si System”, J. Phase Equilibria and Diffusion, 27 [3], 220-230 (2006).

[4511]        A. Shukla, Y.-B. Kang and A.D. Pelton, “Thermodynamic Assessment of the Si-Zn, Mn-Si, Mg-Si-Zn and Mg-Mn-Si systems”, Calphad, 32, 470-477 (2008).

[4512]        D. Kevorkov, M. Medraj, J. Li, E. Essadiqi, and P. Chartrand, “The 400oC Isothermal Section of the Mg-Al-Ca System”. Intermetallics, 18(8), p. 1498-1506 (2010).

[4513]        Y.-B. Kang, L. Jin, I.-H. Jung, A.D. Pelton, P. Chartrand and C.D. Fuerst, "Thermodynamic Database Development for Mg Alloys with RE Elements and Applications to Mg Alloy Design", Magnesium Technology 2010, 359-364 (2010).

[4514]        I.-H. Jung, S.A. Decterov and A.D. Pelton, "A Thermodynamic Model for Deoxidation Equilibria in Steel", Met. & Mat. Trans., 35B, 493-508 (2004). P. Waldner and A.D. Pelton, "Thermodynamic Modeling of the Fe-S System", J. Phase Equilibria and Diffusion, 26, 23-38 (2005) .

[4515]        Y. Dessureault, Ph.D. thesis, Ecole Polytechnique, Montreal (1993).

[4516]        M.-P. Paquin, M.Sc.App. thesis, Ecole Polytechnique, Montreal (2003)

[4517]        L. Jin, Y.-B. Kang, P. Chartrand and C.D. Fuerst, “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, 35(1), p.30-41 (2011).

[4518]        L. Jin, Y.-B. Kang, P. Chartrand and C.D. Fuerst, “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, 34(4), p.456-466 (2010).

[4519]        J.-P. Harvey and P. Chartrand, “Modeling the Hydrogen Solubility in Liquid Aluminum Alloys”, Metallurgical and Materials Transactions. B, 41(4), p. 908-924 (2010).

[4520]       Y.-B. Kang, L. Jin, P. Chartrand, A. E. Gheribi, K. Bai and P. Wu, “Thermodynamic evaluations and optimizations of binary Mg-light Rare-Earth (La, Ce, Pr, Nd, Sm) Systems”, CALPHAD, 38, 100-116 (2012).

 

[4521]       Y-N. Zhang, D. Kevorkov, X.D. Liu, F. Bridier, P. Chartrand and M. Medraj, “Homogeneity range and crystal structure of the Ca2Mg5Zn13 compound”, J. Alloys and Compounds, 523, 75-82 (2012).

 

[4522]       D. Kevorkov, Y.-N. Zhang, K. Shabnam, P. Chartrand, and M. Medraj, “Experimental investigation of the phase equilibria of the Al-Ca-Zn system at 623K”, J. Alloys and Compounds, 539, 97-102 (2012).

 

[4523]   J. Wang, J. Han, I.-H. Jung, D. Bairros and P. Chartrand, “Thermodynamic optimization of the binary Li-Sn and the ternary Mg-Sn-Li systems”, CALPHAD, 47 (2014), 100-113.

 

[4524]   J. Wang, P. Hudon, D. Kevorkov, P. Chartrand, I.-H. Jung and M. Medraj, “Thermodynamic and Experimental Study of the Mg-Sn-Ag-In Quaternary System”, Journal of Phase Equilibria and Diffusion, Volume 35, Issue 3, (June 2014), pp 284-31.

 

[4525]   J. Wang, P. Hudon, D. Kevorkov, P. Chartrand, I.-H. Jung, M. Medraj, “Experimental and thermodynamic study of the Mg-Sn-In-Zn quaternary system”, J Alloys Compd., 588 (2014) 75.

 

[4526]   J. Wang, N. Maio, P. Chartrand, I.-H. Jung, “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 (2013) 22-33.

 

[4527]   A. M. Nasiri, P. Chartrand, D. C. Weckman and Y. Zhou, “Thermochemical Analysis of Phases Formed at the Interface of a Mg alloy-Ni plated Steel Joint during Laser Brazing”, Metall. and Mater. Trans. A, 44 (2013) 1937-1946.

 

[4528]   L. Jin, D.  Kevorkov, M. Medraj and P.  Chartrand, “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 (2013) 166-195.

 

[4529]   A.E. Gheribi, S. Le Digabel., C. Audet and P. Chartrand. “Identifying Optimal Conditions for Magnesium Based Alloy Design Using the Mesh Adaptive Direct Search Algorithm”. Thermochimica Acta, 559 (2013) p. 107-110.

 

[4530]   J.-P. Harvey, A.E. Gheribi, and P. Chartrand, “Thermodynamic integration based on the classical atomistic simulations to determine the Gibbs free energy of condensed phases: calculation of the aluminum-zirconium system”, Phys. Rev. B., 86 (22), 224202 (22 p.), 2012.

 

[4531]   J.-P. Harvey, A.E. Gheribi, and P. Chartrand, “On the determination of the glass forming ability of AlxZr1-x alloys using molecular dynamics, monte carlo simulations and classical thermodynamics”, J. Applied Physics, 112, 073508, 2012.

 

[4532]   Y.-B. Kang, L. Jin, P. Chartrand, A. E. Gheribi, K. Bai and P. Wu, “Thermodynamic evaluations and optimizations of binary Mg-light Rare-Earth (La, Ce, Pr,Nd, Sm) Systems”, CALPHAD, 38, 100-116, 2012.

 

[4533]   J.-P. Harvey, A.E. Gheribi and P. Chartrand, “Accurate determination of the Gibbs energy of copper-zirconium melts using the thermodynamic integration method in Monte-Carlo simulations”, J. Chem. Phys., 135(8), 084502, 2011.

 

[4534]   Marie-Aline Van Ende, Taek-Soo Kim, Yonghwan Kim, In-Ho Jung, "Thermodynamic optimization of the Dy-Nd-Fe-B system and application to the recovery and recycling of rare earth metal from NdFeB magnet", Journal of Green Chemistry, 2014 (submitted).

 

[4535]   Junghwan Kim, Manas Paliwal, Zhou, Hanshin Kim, and In-Ho Jung, “Critical systematic evaluation and thermodynamic optimization of the Mn-RE system (RE = Tb, Dy, Ho, Er, Tm and Lu) with key experiments for the Mn-Dy system”, J. Phase Equilibria and Diffusion, 2014, vol. 35, pp. 670-694.

 

[4536]   Junghwan Kim and In-Ho Jung, “Critical evaluation and thermodynamic optimization of the Si-RE systems: Part II. Si-RE system (RE = Gd, Tb, Dy, Ho, Er, Tm, Lu and Y)”, J. Chem. Thermodynamics, 2015, vol. 81, pp. 273-297.

 

[4537]   Junghwan Kim and In-Ho Jung, “Critical evaluation and thermodynamic optimization of the Si-RE systems: Part I. Si-RE system (RE = La, Ce, Pr, Nd and Sm)”, J. Chem. Thermodynamics, 2015, vol. 81, pp. 253-272.

 

[4538]   Senlin Cui, Manas Paliwal and In-Ho Jung, “Thermodynamic Optimization of Ca-Fe-Si System and its Applications to Metallurgical Grade Si-Refining Process”, Metall. Mater. Trans. E, 2014 vol. 1, pp. 67-79.

 

[4539]   Magda Zydzik, Meghie Smids, Marie-Aline Van Ende and In-Ho Jung, “Critical thermodynamic evaluation and optimization of the Pb-Pr, Pb-Nd, Pb-Tb and Pb-Dy systems” Calphad, vol. 46, 2014, 1-17.

 

[4540]   J.H. Kim and I.-H. Jung, “Thermodynamic modeling of Mn-Y and Mn-Gd systems for application of RE in Mg alloy development”, Can. Metall. Quatery, 2013. Vol 53, pp. 312-320.

 

[4541]   B. Konar, J.H. Kim and I.-H. Jung, “Thermodynamic modeling of the Fe-Sm and Fe-Dy systems”, Can. Metall. Quatery, 2013, vol 52, pp. 321-328.

 

[4542]   A. Hussain, M.A. Van Ende, J. H. Kim and I.-H. Jung, “Thermodynamic modeling of Nd-X systems (X = Co, Cu, Ni)”, Calphad, 2013, vol. 41, pp. 26-41.

 

[4543]   M.A. Van Ende and I.-H. Jung, “Critical thermodynamic evaluation and optimization of the Fe-B, Fe-Nd, B-Nd and Nd-Fe-B systems”, J. Alloy. Compd. 2013, Vol. 548, pp. 133–1542.

 

[4544]   J.H. Kim and I.-H. Jung, “Critical systematic evaluation and thermodynamic optimization of the Mn-RE system: RE = La, Ce, Pr, Nd and Sm”, J. Alloy. Compd., 2012, vol. 525, pp. 191-201.

 

[4545]   D. Kang and I.-H. Jung, “Critical thermodynamic evaluation and optimization of the Ag–Zr, Cu–Zr and Ag–Cu–Zr systems and its applications to amorphous Cu–Zr–Ag alloys”, Intermetallics, 2010, vol. 18(5), pp. 815-823.

 

[4546]   I.-H. Jung and J. Kim, “Thermodynamic modeling of the Mg-Ge-Si, Mg-Ge-Sn, Mg-Pb-Si and Mg-Pb-Sn systems, J. Alloy. Compd., 2010, vol. 494, pp. 137-147.

 

[4547]   M. Paliwal and I.-H. Jung, “Thermodynamic modeling of Al-Bi, Al-Sb, Mg-Al-Bi and Mg-Al-Sb systems”, Calphad, 2010, vol. 34, pp. 51-63.

 

[4548]   M. Paliwal and I.-H. Jung, “Thermodynamic modeling of Mg-Bi and Mg-Sb systems and short-range-ordering behavior of the liquid solutions”, Calphad, 2009, vol. 33, pp. 744-754.

 

[4549]   D. Nassyrov and I.-H. Jung, “Thermodynamic modeling of the Mg-Ge-Pb system”, Calphad, 2009, vol. 33, pp. 521-529.

 

[4550]   I.-H. Jung, “Reassessment of the Fe-C-O equilibria”, ISIJ Inter., 2009, vol. 49, pp. 1272-1275.

 

[4551]   I.-H. Jung, D.H. Kang, W.J. Park, N. J. Kim and S.H. Ahn, “Thermodynamic modeling of the Mg-Si-Sn system”, Calphad, 2007, vol. 31, pp. 192-200.

 

[4552]   J.H. Kim and I.-H. Jung, "Thermodynamic modeling of the Mn-RE systems for the application of RE in Mg alloy development", 7449, 51st Annual Conference of Metallurgists, COM 2012, Niagara Falls, Canada, 2012.

 

[4553]   B. Konar, J.H. Kim and I.-H. Jung, “Thermodynamic modeling of the Fe-RE systems for the application of RE in FeNdB permanent magnet", 7447, 51st Annual Conference of Metallurgists, COM 2012, Niagara Falls, Canada, 2012.

 

[4554]   Z. Zhu and A. D. Pelton, “Critical Assessment and Optimization of Phase Diagrams and Thermodynamic Properties of RE-Zn Systems – Part I: Sc-Zn, La-Zn, Ce-Zn, Pr-Zn, Nd-Zn, Pm-Zn and Sm-Zn”, J. Chem. Thermodyn., accepted (2014).

 

[4555]   Z. Zhu and A. D. Pelton, “Critical Assessment and Optimization of Phase Diagrams and Thermodynamic Properties of RE-Zn Systems – Part II: Y-Zn, Eu-Zn, Gd-Zn, Tb-Zn, Dy-Zn, Ho-Zn, Er-Zn, Tm-Zn, Yb-Zn and La-Zn”, J. Chem. Thermodyn., accepted (2014).

 

[4556]   A.D. Pelton, Y.-B. Kang, P. Chartrand and Z. Zhu, “Themodynamic modeling and database development for Mg alloys” Proc. 9th Int’l Conf. on Mg alloys and their applications, ed. W.J. Poole and K. U. Kainer, Vancouver, pp 31-36 (2012).

 

[4557]   A. E. Gheribi, P. Chartrand, E. Bélisle, C. W. Bale, L. Jin and A.D. Pelton, “Identifying optimal conditions for Mg alloy design usign thermodynamic and properties databases, the FactSage software and the Mesh Adaptive Direct Searches algorithm”, Proc. 9th Int’l Conf. on Mg alloys and their applications, ed. W.J. Poole and K. U. Kainer, Vancouver, pp. 43-48 (2012).

 

[4558]   L. Jin, Y.-B. Kang, A.D. Pelton and P. Chartrand “Modeling of thermodynamic properties and phase equilibria in Mg-Re and Mg-Al-Re (Re=rare earth) systems”, Proc. 9th Int’l Conf. on Mg alloys and their applications, ed. W.J. Poole and K. U. Kainer, Vancouver, pp 149-154 (2012).

book chapters

[5001]        A.D. Pelton, chapter entitled "Phase Diagrams", in "Physical Metallurgy, 3rd edition", ed. R.W. Cahn and P. Haasen, pp 328‑81, North‑Holland, N.Y. (1983).

[5002]        J. Sangster and A.D .Pelton, Complete critical evaluations and calculations of thermodynamics and phase diagrams of 124 binary and 60 ternary systems, including introduction (7 pp) on coupled thermodynamic/phase diagram optimization, "Phase Diagrams for Ceramists", vol. 7, Amer. Ceram. Soc. (1989).

[5003]        A.D. Pelton, chapter 1 entitled "Thermodynamics and Phase Diagrams of Materials", in "Materials Science and Technology", vol. 5, ed. R.W. Cahn, P. Haasen, E.J. Kramer, VCH, Weinheim, Germany, pp. 1-76 (1991).

[5004]        A.D. Pelton, chapter "Phase Equilibria", in Encyclopedia of Applied Physics,  VCH, NY,  vol. 13, 297-322 (1995).

[5005]        A.D. Pelton, ch. 6: "Phase Diagrams", in "Physical Metallurgy", 4th edition, ed. R.W. Cahn and P. Haasen, North Holland, Amsterdam, vol. 1, pp. 471‑534, (1996).

[5006]        A.D. Pelton, section III-5 "Phase Relations", in "Pneumatic Steelmaking, vol. 3-Refractories", ed. M. Rigaud and R.A. Landy, Iron and Steel Society, Warrendale, PA, pp 83-91 (1996).

[5007]        A.D. Pelton, ch. 3 : "Solution Models", in "Advanced Physical Chemistry for Process Metallurgy", ed. N. Sano, W.‑K. Lu and P. Riboud, Academic Press, NY, pp. 87-117 (1997).

[5008]        A.D. Pelton, “Computational Thermodynamics”, Chapter 6 in “Computerized Physical Chemistry of Metallurgy & Materials”, Ed. Z. Qiao, Z. Xu and H. Liu, Metallurgical Industry Press, Beijing, pp. 147-161(1999).

[5009]        A.D. Pelton, "Chemical Thermodynamics and Nuclear Applications", Chapter in "Chemical Thermodynamics" pp. 145-158 ed. T. Letcher, IUPAC, Blackwell Science, London (1999).

[5010]        A.D. Pelton and C.W. Bale, Chapter on "Thermodynamics", pp. 25-42 in "Direct Reduced Iron", ed J. Feinman and D. R. MacRae, Iron and Steel Society, Warrendale, PA (1999).

[5011]        W.T. Thompson, M. H. Kaye, C.W. Bale and A. D. Pelton, chapter 7 entitled "Thermodynamics of Aqueous Corrosion – Pourbaix Diagrams for Multi-Element Systems", in "Uhlig's Corrosion Handbook, 2nd edition", ed. R. W. Revie, pp. 125-136, Wiley, NY (2000).

[5012]        A.D. Pelton, chapter entitled "Metal Extraction: Phase Diagrams", in "The Encyclopedia of Materials: Science and Technology", ed. K.H.G. Buschow, R.W. Cahn, M.C. Flemings, B. Ilschner, E.J. Kramer, and S. Mahajan, Elsevier, pp. 5358-5362 (2001).

[5013]        A.D. Pelton, chapter 1 entitled "Thermodynamics and Phase Diagrams of Materials", in "Phase Transformations in Materials", ed. G. Kostorz, Wiley-VCH, Weinheim, Germany, pp 1-80 (2001).

[5014]       A.D. Pelton, chapter entitled “Thermodynamics and Phase Diagrams” in “Physical Metallurgy 5th edition”, D. E. Laughlin and K. Hono (eds.), pp. 203-303 (2014).

[5015]    Jean Lehman, Klaus Hack, Marie-Aline Van Ende, Evgueni Jak, In-Ho Jung, “Computational thermodynamics” in Treatise on Process Metallurgy: Process Phenomena, Volume 2: Process Phenomena, Elsevier, 2014, 587-852.

[5016]    Elhachmi Essadiqi, In-Ho Jung, Mary Wells, “Twin Roll Casting - processing and process modelling” in “Advance in Mg wrought alloy development” Woodhead Publishing, 2012, pp. 212-303.

applications of factSage

[6001]        C.W. Bale and A.D. Pelton, "Calculation of Thermodynamic Equilibria in the Carbonate Fuel Cell", Proc. Symp. on Molten Carbonate Fuel Cell Technology, pp 81‑107, Electrochem, Soc., Pennington, N.J. (1984).

[6002]        M. Blander, S. Sinha, A.D. Pelton and G. Eriksson, "Calculations of the Influence of Additives on Coal Combustion Deposits", Symp. on Ash Deposition, Dallas, Am. Chem. Soc. (1989).

[6003]        Y. Dessureault and A.D. Pelton, "An Optimized Thermodynamic Database for Matte-Slag-Speiss-Metal Phases in Lead Smelting", Proc. Int'l. Symp. on Computer Databases, CIM, (1993).

[6004]        M. Blander, A.D. Pelton, R. Cole, J.A. Libera and K.W. Ragland, "Molten Sulfate-Carbonate Liquids in the Effluents of Wood Combustion for Power Production", Proc. 9th Int'l Symp. Molten Salts, Electrochem. Soc., Vol. 94-13, Pennington, NJ, pages 8-15 (1994).

[6005]        A.D. Pelton, C.W. Bale, P.K. Talley and W.T. Thompson, "Computer-Assisted Thermodynamic Calculations and Process Simulation in Steelmaking", Proc. Canada-Japan Sympos. on Steelmaking and Continuous Casting, CIM, Montreal (1994).

[6006]        P. Hudon, D.R. Baker, A.D. Pelton and P. Wu, "Disappearance of the Liquid-Liquid Miscibility Gap in the System CaO-MgO-SiO2 at High Pressure", Mineralogical Magazine, Proc. U.M. Goldschmidt Conf., Europ. Assoc. Geochem. and Geochem. Soc., Edinburgh, (1994).

[6007]        M. Blander, K.W. Ragland, R.L. Cole, J.A. Libera and A.D. Pelton, "The Inorganic Chemistry of Wood Combustion for Power Production", Biomass and Bioenergy, 8, 29-38 (1995).

[6008]        S. A. Decterov and A. D. Pelton, “Thermodynamic Calculation of Gas/Slag/Refractory Equilibria in Coal Gasification”. In: Ceramic Transactions, vol. 78: Corrosion of Materials by Molten Glass, Ed. G. Pecoraro, Amer. Ceram. Soc., pp. 91-103 (1996).

[6009]        E. Jak, S. Decterov, P.C. Hayes and A.D. Pelton, "Thermodynamic Modelling of the System Al2O3-SiO2-CaO-FeO-Fe2O3 to Predict the Flux Requirements for Coal Ash Slags", Fuel, 77, 77-84 (1997).

[6010]        M. Blander, A.D. Pelton and T. Milne, "The Inorganic Chemistry of the Combustion of Wheat Straw", Biomass and Bioenergy, 12, 295-8 (1997).

[6011]        A.D. Pelton, "Thermodynamic Databases and Equilibrium Calculations in Metallurgical Processes", Pure and Applied Chemistry, 69, 969-978 (1997).

[6012]        A.D. Pelton, "Thermodynamic Modelling and Phase Equilibrium Calculations in Nuclear Materials", Pure and Applied Chemistry, 69, 2245-2252 (1997).

[6013]        E. Jak, S. Decterov, P.C. Hayes and A.D. Pelton, "Thermodynamic Modelling of the System PbO-ZnO-FeO-Fe2O3-CaO-SiO2 for Zn/Pb Smelting", Proc.5th Int'l. Sympos.  Metall. Slags and Fluxes, AIME, Warrendale, PA, pp. 621-628 (1997).

[6014]        P. Chartrand, H. Mediaas, A.D. Pelton and O. Tkatcheva, “Thermodynamic Phase Diagram Calculations and Cryoscopic Measurements in the NaCl-CaCl2-MgCl2-CaF2 System”,Proc. Int'l Terje Østvold Symposium, Røros, Norway, Eds. H.Øye and A. Waernes, pp. 11-32, Inst. Inorganic Chem, NUST, Trondheim, Norway (1998).

[6015]        F. Kongoli, E. Grimsey, and A.D. Pelton "Model Prediction of the Liquidus Surface of Multi-Component Iron Silicate Smelting Slags Containing Magnesia and Calcia", Proc. EPD Congress 98, San Antonio, Texas, pp 821-845, Ed. B. Mishra, TMS-AIME, Warrendale, PA (1998).

[6016]        E.Jak, B. Zhao, P.C. Hayes, S. Decterov and A.D. Pelton, "Coupled Experimental and Thermodynamic Modelling Studies of the System PbO-ZnO-FeO-Fe2O3-CaO-SiO2-Al2O3", Proc. CIM. Zinc and Lead Proc. Sympos, eds. J. Dutrizac, J.A. Gonzalez, G.L. Bolton and P. Hancock, pp. 312-333, Calgary, Canad. Inst. Met., Montreal (1998).

[6017]        F. Kongoli, E. Grimsey and A.D. Pelton, Àpplication of the FACT Thermodynamic Database Computing System in Ni/Co Smelting and Converting Processes, pp 127-135 in "Computer Applications in Metallurgy and Materials Processing", Ed. S.A. Argyropoulos and M. Hasan, The Met. Soc. of CIM, Montreal (1998)

[6018]        A.D. Pelton, "Thermodynamic Modeling in Glass Melt Systems-Applications for the Glass Industry", Proc. HVG/NCNG Colloquium, "Melting Processes in Glass Furnaces", Verlag der Deutschen Glastechnischen Gesellschaft, Frankfurt/M., pp. 7-12 (1998).

[6019]        S. Decterov, A.D. Pelton and M. Zamalloa, "Databases and Software for Thermodynamic Simulation of Copper Smelting and Converting", in Copper 99-Cobre 99, Vol. VI, Eds. C. Diaz, C. Landolt and T. Utigard, TMS­‑­AIME, Warrendale, PA, pp. 293-307 (1999).

[6020]        E. Jak, S. Decterov, A.D. Pelton, J. Happ, and P.C. Hayes, "Thermodynamic Modelling of the System Al2O3-SiO2-CaO-FeO-Fe2O3 to Characterise Coal Ash Slags", Impact of Mineral Impurities in Solid Fuel Combustion'97, Ed. R.P. Gupta, T.F. Wall and L. Baxter, Kluwer Academic/Plenum, NY, pp. 723-733(1999).

[6021]        E. Jak, S. Decterov, B. Zhao, A.D. Pelton and P. Hayes, "Coupled Experimental and Thermodynamic Modelling Studies for Metallurgical Smelting and Coal Combustion Slag Systems", Met. & Mat. Trans., 31B, 621-630 (2000).

[6022]        M. Blander, L. Unger, A. Pelton and G.Eriksson, "Nucleation Constraints Lead to Molten Chondrule Precursors in the Early Solar System", J. Phys. Chem. B, 105, 11823-11827 (2001).

[6023]        H. Medias, P. Chartrand, O. Tkatcheva, A.D. Pelton, and T.Østvold "Thermodynamic Phase Diagram Calculation and Cryscopic Measurements in the NaCl-CaCl2-MgCl2-CaF2 System", Canad. Metall. Quart., 40, 33-45 (2001). Winner of best paper award 2001

[6024]        R.C. John, A.D. Pelton, A.L. Young, W.T. Thompson, I.G. Wright and T.M. Besmann, "Corrosion of Metals in Hot Corrosive Gases", Advanced Materials and Processes, 160, [3], 27-31 (2002).

[6025]        R.C. John, A.D. Pelton, A.L. Young, W.T. Thompson, I.G. Wright and T.M. Besmann, "Assessing Corrosion in Oil Refining and Petrochemical Processing", Proc. Symposium on High Temperature Corrosion in Energy Realted Systems, Angra dos Reis, Rio de Janeiro, (2002).

[6026]        I.-H. Jung, S. Decterov, A.D. Pelton, Y.-B. Kang and H.-G. Lee, "Critical Thermodynamic Evaluation and Optimization of the CaO-MnO-Al2O3-SiO2 System and Application to Inclusion Control", Proc. CIM Symposium, Ladle and Tundish Technology, Ed. K.S. Coley and G. Brooks, Canadian Institute of Metallurgy, Montreal, pp 131-147 (2002).

[6027]        R.C. John, A.D. Pelton, A. L. Young, W.T. Thompson, I.G. Wright, T.M. Besmann, and M.A. Harper,"Update on the ASSET Information System for High Temperature Corrosion", NACE‑Corrosion 2002, paper 02382, NACE International, Houston TX (2002).

[6028]        I.-H. Jung, S. Decterov and A.D. Pelton, "Computer Applications of Thermodynamic Databases to Inclusion Engineering", ISSTech 2003 Conference, Volume for Ironmaking/Process Tech./Wolf Sympos. Proceedings, pp 561-570, Iron & Steel Society, Warrendale, PA (2003)

[6029]        I.-H. Jung, S. Decterov and A.D. Pelton, "Computer Applications of Thermodynamic Databases to Corrosion of Refractories", Proc. UNITECR'03 Congress, Osaka, Japan, pp. 252-255 (2003).

[6030]        R.C. John, A.D. Pelton, A.L. Young, P. Spencer and W.T. Thompson, "Alloy Carburization at Temperatures of 1,200 – 2,100oF (650 – 1,150oC)", NACE – Corrosion 2003, paper 03474 (2003)

[6031]        R.C. John, A.D. Pelton, S. Decterov, A.L. Young, P. Spencer, W.T. Thompson, I.G. Wright and T.M. Besmann, "Predictions of Corrosion Products for Alloys Corroding in Complex Gases via Thermochemical Analyses", NACE-Corrosion 2003, paper 03501 (2003).

[6032]        R.C. John, A.D. Pelton, A.L. Young, W.T. Thompson, I.G. Wright and T.M. Besmann, "Assessing Corrosion in Oil Refining and Petrochemical Processing", Materials Research 7, [1]163-173, (2004).

[6033]        I.-H. Jung, S. Decterov and A.D. Pelton, "Computer Applications of Thermodynamic Databases to Inclusion Engineering", ISIJ International, 44 [3], 527-536 (2004).

[6034]        R.C. John, A.L. Young, A.D. Pelton and W.T. Thompson "Sulfidation Corrosion in the Presence of Oxidizing Gases", NACE-Corrosion 2004, paper 04532, 2004.

[6035]        R.C. John, A.D. Pelton, A. L. Young, W.T. Thompson, and I. G. Wright, "Predicting Equipment Lifetimes with High Temperature Corrosion Data", Proc. 6th Symposium on High Temperature Corrosion and Protection of Materials, Les Embiez, France (2004).

[6036]        R.C. John, A.D. Pelton, A.L. Young, W.T. Thompson, and I.G. Wright, "Energy Savings for Ethylene and other Petrochemical Processes by Management of Equipment Corrosion and Coke Deposition", Proc. AIChE meeting, New Orleans, LA (2004).

[6037]        M. Blander, A.D. Pelton, I.-H. Jung and R. Weber, "Non-equilibrium Concepts Lead to a Unified Explanation of the Formation of Chondrules and Chondrites", Meteoritics, 39, 1897-1910 (2004).

[6038]        J. L'Ecuyer, A. Mouton, A. Legros, A. Selmani, J. Currie and S. A. Decterov, ”Application of Selenium-Based Alloys for Digital Radiography”, Nuclear Instr. Methods Phys. Res. A, 380, 494-496 (1996).

[6039]        W.T. Chase, M. Notis & A.D. Pelton, "New Eh-Ph (Pourbaix) Diagrams of the Cu‑Sn System", Proc. ICOM Conservation Committee Working Group on Metals, Sept. 17-21, (2007), Amsterdam.

[6040]        R.C. John, A.D. Pelton, W.T. Thompson, A.L. Young and I.G. Wright, "ASSET Technology Update for Analyzing and Predicting Corrosion in High Temperature Gases", Proc. MS&T Conference, Cincinnati,  (2006).

[6041]        R. John, A. Pelton, A. Young, W. Thompson and I. Wright, "Managing and Assessing High Temperature Corrosion in the 21st Century", Proc. Stainless Steel World 2004, pp 1-10, 2004 KCl Publ. BV.,(2004).

[6042]        M. Blander, A.D. Pelton and I.-H. Jung, "A Model for the Formation of E‑Chondrites", Meteoritics and Planetary Science, 44, 531-544 (2009).

[6043]        D. Lindberg, R. Backman, M. Hupa, P. Chartrand,  ”A critical thermodynamic evaluation of the melting properties of alkali salt mixtures in the recovery boiler”, 2007 International Chemical Recovery Conference, Quebec City, Canada, May 29 – June 1, 47-50, 2007.

[6044]        D. Lindberg, P. Chartrand, R. Backman and M. Hupa, “A Thermodynamic and Phase Equilibrium Model for the Smelt in Recovery Boilers”, Annual Meeting Preprints – Pulp and Paper Tech. Ass. of Canada, 91st, Montreal, QC, Canada, Feb 8-10, B, 31-35, 2005.

[6045]        I.-H. Jung, S. A. Decterov and A. D. Pelton, “Computer Application of Thermodynamic Database to Corrosion of Refractories”, Taikabutsu Refractories, 56 (8), 382-386 (2004).

[6046]        E. Jak, P. Hayes, C. W. Bale and S. A. Decterov, “Application of FactSage thermodynamic modeling of recycled slags (Al2O3–CaO–FeO–Fe2O3–SiO2–PbO–ZnO) in the treatment of wastes from end-of-life-vehicles”, Z. Metallkd. 98 (9), 872-878 (2007).

[6047]        I.-H. Jung, S. A. Decterov, A. D. Pelton, “Physico-Chemical Modeling of Slags and Mattes for Co and Ni production”, Pyrometallurgy of Nickel and Cobalt 2009, Proc. 48th Annual Conf. of Metallurgists of CIM, Eds. J. Liu, J. Peacey, M. Barati, S. Kashani-Nejad, B. Davis, CIM, Sudbury, Ontario, Canada, pp. 317-329 (2009).

[6048]        S. A. Decterov, Y.-B. Kang and I.-H. Jung, “Thermodynamic Database for the Al-Ca-Co-Cr-Fe-Mg-Mn-Ni-Si-O-P-S System and Applications in Ferrous Process Metallurgy”, J. Phase Equilibria and Diffusion, 30 (5), 443–461 (2009).

[6049]        Youn-Bae Kang and Arthur Pelton, “Thermodynamic Databases and their Applications for Sulfur Control in Steelmaking”, Proc. Asia Steel Int’l Conference, Korean Inst. Metals & Materials, Seoul, S3-42 (2009).

[6050]        Y.-B. Kang and H.-G. Lee, "Thermodynamic Analysis of Mn-Depeleted-Zone Near Ti Oxide Inclusions for Intragranular Nucleation of Ferrite in Steel", ISIJ Int., 50, 501-508 (2010)

[6051]        J.C. Van Dyk, F.B. Waanders, S.A. Benson, M.L. Laumb and K. Hack, “Viscosity predictions of the slag composition of gasified coal, utilizing FactSage equilibrium modeling”, Fuel, 88, 67-74 (2009).

[6052]        K. Hack, “Computational thermodynamics: A mature scientific tool for industry and academia”, Pure and Applied Chemistry, 83(5), 1031-1044 (2011)

[6053]         K. Hack,”Rechnergestützte Thermodynamik – Ein neues Werkzeug für den Giesser”, Giesserei-Erfahrungsaustausch, Fachmagazin für Praktiker, 9-10 (2011)

[6054]        Hyun-Soo Kim, Youn-Bae Kang, Jang Gyu Kim and Yasushi Sasaki, “The Role of Iron Oxide Bearing Molten Slag in Iron Melting Process for the Direct Contact Carburization”, ISIJ Int., 51, 166-168 (2011).

[6055]        D. Lindberg, R. Backman, P. Chartrand and M. Hupa, “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 (2013).

[6056]        S. Besson, A. Pichat, E. Xolin, P. Chartrand and B. Friedrich, “Improving coalescence in Al- Recycling by salt optimization”, Proc. EMC 2011, Dusseldorf, Germany, June 26-29, GDMB ed., Clausthal-Zellerfeld, vol.3 (Light Metals), pp.759-774 (2011).

 

[6057]        M.-A. Coulombe, M. Lebeuf, P. Chartrand, B. Allard, and G. Soucy, “Carburation Phenomenons at the Cathode Block/Metal Interface”, Light Metals (Warrendale, PA, United States) (2010), p.811-816.

[6058]        A. Zoukel, P. Chartrand and G. Soucy, “Study of aluminum carbide formation in Hall-Heroult electrolytic cell”, Light Metals 2009, TMS, Feb. 2009, 1123-1128.

[6059]        D. Lindberg, R. Backman, M. Hupa, P. Chartrand,  ”A critical thermodynamic evaluation of the melting properties of alkali salt mixtures in the recovery boiler”, 2007 International Chemical Recovery Conference, Quebec City, Canada, May 29 – June 1, 47-50, 2007.

[6060]       Min-Kyu Paek, Jung-Mock Jang, Youn-Bae Kang, and Jong-Jin Pak, Thermodynamic behavior of Si in MnSi melts, Kor. J. Mater. Res., 50, 116121 (2012).

 

[6061]       Sun-Joong Kim, Jun Takekawa, Hiroyuki Shibata, Shin-ya Kitamura, Katsunori Yamaguchi, and Youn-Bae Kang,Influence of Partial Pressure of Sulfur and Oxygen on Distribution of Fe and Mn between Liquid Fe-Mn Oxysulfide and Molten Slag, Metall. Mater. Trans. B, 43, 10691077 (2012).

 

[6062]       Youn-Bae Kang, Taeyoung Kim, and Joonho Lee, Valorisation of Steelmaking Slag by Microwave Treatment, Ironmaking and Steelmaking, 39, 498503 (2012).

 

[6063]       Joo-Hyun Park, Jin-Gyun Park, Dong-Joon Min, Young-Eun Lee, and Youn-Bae Kang, In Situ Observation of Dissolution Phenomena of SiC Particles in CaOSiO2MnO Slag, J. Eur. Ceram. Soc., 30, 31813186 (2010).

 

[6064]       Joonho Lee, Eunju Kim, Taeyoung Kim, and Youn-Bae Kang, Thermodynamic Study for P Reduction from Slag to Molten Steel by using the Microwave Heating, Kor. J. Mater. Res., 20, 4246 (2010).

 

[6065]   I.-H. Jung, S. Cui, J. Lee, S. Park, “Thermodynamics in Mg recycling process”, JOM, 2013, vol. 65, pp. 1310-1316.

 

[6066]   A. Castellero, D.H. Kang, I.-H. Jung, G. Angella, M. Vedani and M. Baricco, “Rapid solidification of silver-rich Ag-Cu-Zr alloys”, J. Alloy. Compd., vol. 536, Supplement, pp. S148–S153

 

[6067]   Aguirre-Perales, L.Y., R.A.L. Drew, and I.-H. Jung, “The Effect of In-Situ Intermetallic Formation on Al-Sn Foaming Behavior”, Metall. Mater. Trans. A, 2014, vol. 45, 3714-3727.

 

[6068]   Seong-Min Jeong, Won-Seon Seo, In-Ho Jung, Kyung-Jin Lee, and Hae Jin Hwang, “Thermodynamic analysis of the synthesis of silicon carbide nanofibers from exfoliated graphite and amorphous silica”,  CrystEngComm, 2014, vol. 16, 2348-2351.

 

[6069]   J. Calvo, I.-H. Jung, A.M. Elwazri, D. Bai, and S. Yue, “Influence of the chemical composition on transformation behaviour of low carbon microalloyed steels”, Mat. Sci. Eng. A, 2009, vol. 520(1-2), pp. 90-96.

 

[6070]   S.S. Park, G.T. Bae, D.H. Kang, I.-H. Jung, K.S. Shin and N.J. Kim, “Microstructure and tensile properties of twin-roll cast Mg-Zn-Mn-Al alloys”, Scripta Mater., 2007, vol. 57, pp. 793-796.

 

[6071]   I.-H. Jung, D.H. Kang, W.-J. Park, N.J. Kim and S.H. Ahn, “Application of thermodynamic calculations to Mg alloy design − Mg-Sn based alloy development”, Int. J. Mat. Res. (formerly Z. Metallkd.), 2007, vol. 98, pp. 807-815.

 

[6072]   Y.-M. Kim and I.-H. Jung, “Design of new Mg lean alloys with high formability and strength using thermodynamic database”, 9th International Conference on Magnesium alloys and their Applications, Vancouver, BC, Canada, 2012, pp. 55-61.

 

[6073]   M. Paliwal, J. Kim, D.H. Kang and I.-H. Jung, “The recent developments in Mg-Sn based alloy thermodynamic database”, Magnesium Technology 2010, TMS, pp. 511-516.

 

[6074]   I.-H. Jung, D.H. Kang, N.J. Kim, W.-J. Kim and S.H. Ahn, "Thermodynamic modeling and its applications to Mg-Sn based alloy development", Magnesium Technology 2009, TMS, 2009, pp. 467-470.

 

[6075]   I.-H. Jung, W.-J. Park, S.H. Ahn, D.-H. Kang and N.J. Kim, “Thermodynamic modeling of the Mg-Sn-Zn-Al system and its application to Mg alloy design”, Magnesium Technology 2006, Texas, USA, 2006, pp. 457-461.

 

[6076]   M.-K. Cho, M.-A. Van Ende, T.-H. Eun and I.-H. Jung, “Investigation of slag-refractory interactions for the Ruhrstahl Heraeus (RH) vacuum degassing process in steelmaking”, J. Eur. Ceram. Soc., 2012, 32 (8), pp. 1503-1517.

 

[6077]   M.-K. Cho and I.-H. Jung, “Corrosion of nozzle refractories by liquid inclusion in high oxygen steels”, ISIJ Inter. 2012, vol. 52, pp. 1289-1296.

 

[6078]   J.H. Son, I.-H. Jung, S.M. Jung, H. Gaye and H.G. Lee, “Chemical reaction of glazed refractory with Al-deoxidized and Ca-treated molten steel”, ISIJ Inter., 2010, vol. 50, pp. 1422-1430.

 

[6079]   J.H. Park, M.O. Suk, I.-H. Jung, M. Guo and B. Blanpain, “Interfacial reaction between refractory materials and metallurgical slags containing fluoride” Steel Res. Int., 2010, vol. 81, pp. 860-868.

 

[6080]   S.-C. Park, I.-H. Jung, K.-S. Oh and H.-G. Lee, “Effects of Al on the evolution of non-metallic inclusions in the Mn-Si-Ti-Mg deoxidized steel during solidification: experiments and thermodynamic calculations” ISIJ Inter., 2004, vol. 44(6), pp. 1016-1023.

 

[6081]   J.H. Park, I.-H. Jung and S.-B. Lee, “Phase diagram study for the CaO-SiO2-Cr2O3-5mass%MgO-10mass%MnO system”, Met. Mater. Int., 2009, vol. 15, pp. 677-681.

 

[6082]   J.-H. Son, I.-H. Jung, S.-M. Jung, H. Gaye and H.-G. Lee, “Chemical reaction of glazed refractory with Al-deoxidized molten steel” ISIJ Inter., 2008, vol. 48, pp. 1542-1551.

 

[6083]   Y.B. Kang, C.H. Chang, S.C. Park, H.S. Kim, I.-H. Jung and H.G. Lee, “Thermodynamics of inclusions engineering in steelmaking and refining”, Iron and Steel Technology, 2006, no. 10, pp. 154-162.

 

[6084]   J.-H. Park, I.-H. Jung and H.-G. Lee: “Dissolution behavior of Al2O3 and MgO inclusions in the CaO-Al2O3-SiO2 slags: Formation of ring-like structure of MgAl2O4 and Ca2SiO4 around MgO inclusions”, ISIJ inter., 2006, vol. 46, pp. 1626-1634.

 

[6085]   C.-H. Chang, I.-H. Jung, S.-C. Park, H.-S. Kim and H.-G. Lee: “Effect of Mg on the evolution of non-metallic inclusions in the Mn-Si-Ti deoxidized steel during solidification: experiments and thermodynamic calculations” Ironmaking Steelmaking, 2005, vol. 32(3), pp. 251-257.

 

[6086]   D.-C. Park, I.-H. Jung, C.H. Rhee and H.-G. Lee: “Reoxidation of Al-Ti containing steels by CaO-Al2O3-MgO-SiO2 slag”, ISIJ Inter., 2004, vol. 44(10), pp. 1669-1678.

 

[6087]   Wan-Yi Kim and In-Ho Jung, “Critical Evaluation and Optimization of  the Li2OZrO2 and Li2OZrO2SiO2 systems, UNITECR 2013, Vancouver, Canada.

 

[6088]   Pierre Hudon, Wan-Yi Kim, Marie-Aline Van Ende, and In-Ho Jung, “Thermodynamic database for P2O5-containing slags and its application to the dephosphorization process”, AISTech 2014 Proceeding, AIST, pp. 1257-1268.

 

[6089]   Young-Min Kim and In-Ho Jung, “Thermodynamic Modeling of the MnO-B2O3-SiO2 System for the Oxidation of High-Strength Steels Containing Boron”, International symposium on new developments in advanced high strength steels, AISTech, Vale, Colorado, USA, June 26, 2013.

 

[6090]   I.-H. Jung, M.-A. Van Ende and W.-Y. Kim, “Thermodynamic database and kinetic simulation for BOF process", CAMP-ISIJ, vol 25, 2012, pp. 199-202.

 

[6091]   I.-H. Jung, P. Hudon, W.-Y Kim, M.-A. Van Ende, M. Rahman, G.G. Curiel and E.M. Khoonsari, “Thermodynamic database of P2O5-containing oxide system for De-P process in steelmaking (Paper No.: w130) ", Molten12, Beijing, China, 2012.

 

[6092]   J. Lehmann, I.-H. Jung and L. Zhang, “The main thermo-statistical models of metallurgical slags: Theory and applications (Paper No.: w158#)", Molten12, Beijing, China, 2012.

 

[6093]   I.-H. Jung, M.-A. Van Ende and D.-G. Kim, “Thermodynamic modeling of the F-containing oxide system and applications to refractory corrosion”, UNITECR 2011, Kyoto, Japan, 2011. Paper #1-E-15.

 

[6094]   M.-A. Van Ende, Y.-M. Kim, M.-K. Cho, J. Choi and I.-H. Jung, “Corrosion of RH bottom vessel refractories – Part I: kinetic model to predict slag and metal compositions during the RH process, UNITECR 2011, Kyoto, Japan, 2011. Paper #1-B1-4.

 

[6095]   I.-H. Jung, “Application of thermodynamic database to steelmaking processes”, Materials Science and Technology (MS&T) 2010, pp. 969-981.

 

[6096]   I.-H. Jung, P. Hudon, G. G. Curiel and M. Rahman, “Thermodynamic modeling of P2O5 containing system for De-P process in steelmaking: Preliminary thermodynamic modeling results”, CAMP-ISIJ, vol. 23, 2010, pp. 815-818.

 

[6097]   I.-H. Jung, “Thermodynamic modeling of CaF2 containing slag and its applications to steelmaking process”, 2010 AISTech proceeding-volume I, 2010, pp. 1211-1220.

 

[6098]   I.-H. Jung, M. Paliwal, Y.-M. Kim, S.-K. Lee and J.-S. Kim, "Thermodynamic analysis of the oxidation of high-strength steels", Asia-Pacific Galvanizing Conference, 2009, paper # A-34.

 

[6099]   I.-H. Jung, J.-H. Son, S.-M. Jung and H.-G. Lee, "Formation of ladle glaze and its influence on melt cleanliness", Asia Steel, 2009, paper # S3-02.

 

[6100]   I.-H. Jung, “Overview of the applications of thermodynamic database to steelmaking process”, Calphad, 2010, vol. 34, pp. 332-362.

 

[6101]   M.-A. Van Ende, Y.-M. Kim, M.-K. Cho, J.H. Choi and I.-H. Jung, “A kinetic model for the Ruhrstahl Heraeus (RH) degassing process”, Metall. Mater. Trans. B, 2011, vol. 42(3), pp. 477-489.

 

[6102]   Marie-Aline Van Ende, and In-Ho Jung, “Development of a thermodynamic database for mold flux and applications to the continuous casting process”, ISIJ Inter. Vol. 54, 2014, pp. 489-495.

 

[6103]   Marie-Aline Van Ende, and In-Ho Jung, “Development of a Thermodynamic Database for Mold Flux and Application to the Continuous Casting Process”, 2014, ECCC, Austria.

 

[6104]   Marie-Aline Van Ende, and In-Ho Jung, “Development of a Thermodynamic Database for Mold Flux and Application to the Continuous Casting Process for Steelmaking”, TMS2014, D. Robertson Symposium.

 

[6105]   Dmitri Nassyrov and In-Ho Jung, “A model for slag solidification”, AISTech 2014 Proceeding, AIST, pp. 1669-1680.

 

[6106]   M.-A. Van Ende, Y.-M. Kim, M.-K. Cho, J. Choi and I.-H. Jung, “A kinetic and thermodynamic model for the decarburization reaction in the RH vacuum degasser”, EOSC 2011, Stokholm, 2011, pp. 404-414.

 

[6107]   A.D. Pelton, M. Stamatakis, E. Kelepertziz and T. Panagou, "Origin and archaeo-metallurgy of a mixed sulphide ore for copper production on the island of Kea, Aegean Sea, Greece", Archaeometry, accepted for publication.

 

ChemSage development

[7001]        ChemSage - A Computer Program for the Calculation of Complex Chemical Equilibria.  G. Eriksson, K. Hack; Met. Trans. B, 21 B, 1990, 1013-1023.

[7002]        Thermodynamic Studies of High Temperature Equilibria.
G. Eriksson, E. Rosen; Chemica Scripta, 4, 1973, 193-194.

[7003]        Calculation of Phase Equilibria in Multicomponent Alloy Systems Using a Specially Adapted Version of the Program "SOLGASMIX". G. Eriksson, K. Hack, CALPHAD, 8, (1), 1984, 15.

[7004]        Extract from: Coupled Phase Diagrams and Thermochemical Data for Transition Metal Binary Systems – I;  L. Kaufman, H. Nesor; CALPHAD, 2, (1), 1978, 55.

[7005]        A Thermodynamic Analysis of the Cu-O System with an Associated Solution Model.
R. Schmid, Met. Trans. B, 14B, 1983, 473.

[7006]        A Regular Solution Model for Phases with Several Components and Sublattices, Suitable for Computer Applications. B. Sundman, J. Agren; J. Phys. Chem. Solids, 42, 1981, 297.

[7007]        A Study of the Sigma Phase in the Co-Cr-Fe System.
J. Zhangpeng, B. Jansson; TRITA-MAC-0189, RIT, Stockholm, May, 1981.

[7008]        Thermodynamic Model for very Non-Stoichiometnic Ionic Phases, Application to CeO2
M. Hillert, B. Jansson; TRITA-MAC-0272, RIT, Stockholm, Oct. 1985.

[7009]        A Two-Sublattice Model for Molten Solutions with Different Tendency for lonization.
M. Hillert, B. Jansson, B. Sundman, J. Agren; Met. Trans. A, 16A, 1985, 261.

[7010]        A Theoretical Evaluation of Chemical Ordering and Glass Transition in Liquid Mg-Sn Alloys.  B. Jonsson, J. Agren; Met. Trans. A, 17A, 1986, 607.

[7011]        The Prediction of Mineral Solubilities in Natural Waters: The Na-K-Mg-Ca-H-CI-SO4-OH-HCO3-CO3-CO2-H2O System to High Ionic Strengths at 25°C.
C. E. Harvie, N. Moeller, J. H. Weare; Geochem. Cosmochem. Acta, 48, 1984, 723.

[7012]        Conventional Chemical Potentials of Ions in Aqueous Solution.
O. Knacke, R. Schlim; Erzmetall, 37, (11), 1984, 544.

[7013]        Approximate Description of the Configurational Specific Heat During a Magnetic Order-Disorder Transformation.  G. Inden; Proceedings of CALPHAD V, Düsseldorf, 1976.

[7014]        Computer Calculation of the Free Energy Contributions due to Chemical and/or Magnetic Ordering.  G. Inden; Proceedings of CALPHAD V, Düsseldorf, 1976.

[7015]        A Model for Alloying Effects in Ferromagnetic Metals.
M. Hillert, M. Jarl; CALPHAD 2, (3), 1978, 227.

[7016]        A Thermochemical Database for Phase Equilibria in the System Fe-Mg-Si-0 at High Pressure and Temperature.  Y. Fei, S. Saxena; Phys. Chem. Min. 13, 1986, 311.

[7017]        The Chemical Equilibrium of Gaseous Systems.
R. Vonka, K. Holub; ReidI Publishing Company, Dordrecht, Holland, 1976, 162- 195.

[7018]        The Virial Coefficients of Pure Gases and Mixtures - A Critical Compilation.
J. H. Dymond, E. B. Smith; Clarendon Press, Oxford, 1980.

[7019]        Computer Simulation of Carbothermic Silica Reduction Processes.
T. Johansson, G. Eriksson; J. Elec. Chem. Soc. 131, 2, 1984, 365.

[7020]        A Modified Aggregation Model for the Calculation of Thermodynamic State Functions of Liquid Alloys.  M. Hoch, I. Arpshofen; Z. Metallkde., 75, (1984), 1, 23 (in German).

[7021]        Application of the Complex Model to Systems with an Asymmetric Miscibility Gap and with Two Miscibility Gaps.  M. Hoch; Z. Metallkde., 75, (1984), 4, 299.

[7022]        Application of the Hoch-Arpshofen Model to Ternary, Quaternary, and Larger Systems.
M. Hoch; CALPHAD, 11, (2), 1987, 219.

 

[7023]     Algebraic Representation of Thermodynamic Properties and the Classification of Solutions  O. Redlich and A.T. Kister; Industrial Engineering Chemistry, Feb 1948, p 345

 

[7024]     An Emperical Correlation of Second Virial Coefficients

Constantine Tsonopoulos, AIChE Journal, Vol 20(2), 1974, p 263

 

 

OPTIMISATION

[8001]        Parameter Estimation for Nonlinear Models - Convergence, Data and Parameter Uncertainty, and Constraints on Parameter Changes. W. B. Walton; Mathl. Comput. Modelling, 12, (2), 1989, 181.

[8002]        Analysis of Lippmann Diagrams: Binary Alkali Halide Systems.
E. Konigsberger; Monatshefte fur Chemie 121, (1990), 999.

[8003]        Analysis of Phase Diagrams: Employing Bayesian Excess Parameter Estimation.
E. Konigsberger, H. Gamsjager; Monatshefte fur Chemie 121, (1990), 119.

[8004]        Improvement of Excess Parameters from Thermodynamic and Phase Diagram Data by a Sequential Bayes Algorithm. E. Konigsberger; CALPHAD, 15, (1), 1991, 69.

[8005]        A New Optimization Routine for ChemSage.
E. Konigsberger, G. Eriksson; CALPHAD, 19, (2), 1995, 207.

 

 

SGTE CASEBOOK

[9001]        The SGTE-Casebook - Thermodynamics at work”
Edited by K. Hack,
The Institute of Materials, Materials Modelling Series, ISBN 0 901716 74X

 

Table of Contents:

 

Introduction


 Part I: Theoretical Background

 Basic Thermochemical Relationships

 Klaus Hack

 

 1. Thermochemistry of stoichiometric reactions

 2. Thermochemistry of complex systems

 

 Models and Data

 Klaus Hack

 

 1. Gibbs energy data for pure stoichiometric substances

 2. Gibbs energies for solution phases

 

 Graphical Representations of Equilibria

 Klaus Hack

 

 Summarising Mathematical Relationships between Gibbs Energy and other

 Thermodynamic Information

 Klaus Hack

 

 Part II: Applications in Materials Science and Processes

 Hot Salt Corrosion of Superalloys

 Tom I. Barry and Alan T. Dinsdale

 

 Computer Assisted Development of High Speed Steels

 Per Gustafson

 

 Using Calculated Phase Diagrams in the Selection of the Composition of Cemented

 WC Tools with a Co-Fe-Ni Binder Phase

 Armando Fernández Guillermet

 

 Prediction of Loss of Corrosion Resistance in Austenitic Stainless Steels

 Mats Hillert and Caian Qiu

 

 Calculation of Solidification Paths for Multicomponent Systems

 Bo Sundman and Ibrahim Ansara

 

 Prediction of a Quasiternary Section of a Quaternary Phase Diagram

 Mats Hillert and Stefan Jonsson

 

 Estimative Treatment of Hot Isostatic Pressing of Al-Ni Alloys

 Klaus Hack

 

 The Thermodynamic Simulation in the Service of the CVD Process. Application to

  the Deposition Of WSi2 Thin Films

 Constantin Vahlas, Claude Bernard and Roland Madar

 

 Calculation of the Concentration of Iron and Copper Ions in Aqueous Sulphuric Acid

 Solutions as a Function of the Electrode Potential

 Jürgen Korb and Klaus Hack

 

 Thermochemical Conditions for the Production of Low Carbon Stainless Steels

 Klaus Hack

 

 Application of Phase Equilibrium Calculations to the Analysis of Severe Accidents in

 Nuclear Reactors

 Richard G. J. Ball, Paul K. Mason and Mike A. Mignanelli

 

 Pyrometallurgy of Copper-Nickel-Iron Sulphide Ores: The Calculation of Distribution

 of Components between Matte, Slag, Alloy and Gas Phases

 Tom I. Barry, Alan T. Dinsdale, Susan M. Hodson, Jeff R. Taylor

 

 High-Temperature Corrosion of SiC in Hydrogen-Oxygen Environments

 Klaus G. Nickel, Hans L. Lukas and Günter Petzow

 

 The Carbon Potential during Heat Treatment of Steel

 Torsten Holm and John Ågren

 

 Preventing Clogging in a Continuous Casting Process

 Bo Sundman

 

 Evaluation of EMF from a Potential Phase Diagram for a Quaternary System

 Mats Hillert

 

 Part III: Towards Process Simulation

 Steady-State Calculations for Dynamic Processes

 Klaus Hack

 

  Diffusion in Multicomponent Phases

 John Ågren

 

 Production of Metallurgical Grade Silicon in an Electric Arc Furnace

 Gunnar Eriksson and Klaus Hack

 

 Multicomponent Diffusion in Compound Steel

 John Ågren