The thermochemistry library ChemApp and its applications

References

[1] G.Eriksson, K.Hack: Metall. Trans. B21 (1990) 1013.Search in Google Scholar

[2] G.Eriksson, H.Sippola, B.Sundman, in: A. Jokilaakso (Ed.), Proceedings of the Colloquium on Process Simulation, Espoo, Finland, Helsinki University of Technology (1994) 67 (Report TKK-V-B99).Search in Google Scholar

[3] G.Eriksson, P.Spencer, H.Sippola, in: A. Jokilaakso (Ed.), Proceedings of the 2nd Colloquium on Process Simulation, Espoo, Finland, Helsinki University of Technology (1995) 113 (Report TKK-V-B104).Search in Google Scholar

[4] G.Eriksson, K.Hack, S.Petersen, in: J.Hirsch (Ed.), Werkstoffwoche 996, Symposium 8: Simulation, Modellierung, Informationssysteme, DGM Informationsgesellschaft, Frankfurt, Germany (1997) 47 (ISBN 3-88355-236-4).Search in Google Scholar

[5] http://www.gtt-technologies.de/chemapp.Search in Google Scholar

[6] C.Bale, P.Chartrand, S.Degterov, G.Eriksson, K.Hack, R.Mahfoud, J.Melançon, A.Pelton, S.Petersen: CALPHAD26 (2002) 189.Search in Google Scholar

[7] http://www.crct.polymtl.ca/.Search in Google Scholar

[8] http://www.spencergroupintl.com/.Search in Google Scholar

[9] http://www.sgte.org/.Search in Google Scholar

[10] P.Koukkari, R.Pajarre, K.Hack: Z. Metallkd.92 (2001) 1151.Search in Google Scholar

[11] P.Koukkari, R.Pajarre: CALPHAD30 (2006) 18.Search in Google Scholar

[12] P.Koukkari, R.Pajarre, K.Hack: Int. J. Mater. Res. (this issue) (2007).Search in Google Scholar

[13] O.Redlich, A.T.Kister: Ind. Eng. Chem.40 (1948) 345.Search in Google Scholar

[14] A.Pelton: CALPHAD12 (1988) 127.10.1016/0364-5916(88)90015-6Search in Google Scholar

[15] M.Hoch, I.Arpshofen: Z. Metallkd.75 (1984) 23.Search in Google Scholar

[16] M.Hoch: Z. Metallkd.75 (1984) 299.10.1515/ijmr-1984-750408Search in Google Scholar

[17] M.Hoch: CALPHAD11 (1987) 219.10.1016/0364-5916(87)90040-XSearch in Google Scholar

[18] B.Sundman, J.Ågren: J. Phys. Chem. Solids42 (1981) 297.Search in Google Scholar

[19] J.Zhangpeng, B.Jansson: TRITA-MAC Report 0189, Materials Research Center, The Royal Institute of Technology, Stockholm, Sweden (1981).Search in Google Scholar

[20] M.Hillert, B.Jansson: TRITA-MAC Report 0272, Materials Research Center, The Royal Institute of Technology, Stockholm, Sweden (1985).Search in Google Scholar

[21] J.Lacaze, B.Sundman: Metall. Trans. A22 (1991) 2211.Search in Google Scholar

[22] W.Oates, G.Eriksson, H.Wenzl: J. Alloys Compounds220 (1995) 48.Search in Google Scholar

[23] B.Sundman: CALPHAD15 (1991) 109.10.1016/j.calphad.2004.10.001Search in Google Scholar

[24] Y.Dessureault, A.Pelton: J. Chim. Phys.88 (1991) 1811.Search in Google Scholar

[25] A.Pelton, S.Degterov, G.Eriksson, C.Robelin, Y.Dessureault: Metall. Mater. Trans. B31 (2000) 651.Search in Google Scholar

[26] H.Gaye, J.Lehmann, T.Matsumiya, W.Yamada: Fiche de recherche EGN 194, IRSID, Maizières-lès-Metz, France (1992).Search in Google Scholar

[27] A.Pelton, M.Blander: Metall. Trans. B17 (1986) 805.Search in Google Scholar

[28] M.Blander, A.Pelton: Geochim. Cosmochim. Ac.51 (1987) 85.Search in Google Scholar

[29] A.Pelton, G.Eriksson, A.Romero-Serrano: Metall. Trans. B24 (1993) 817.Search in Google Scholar

[30] P.Chartrand, A.Pelton: Metall. Mater. Trans. A32 (2001) 1397.Search in Google Scholar

[31] A.Pelton, P.Chartrand, G.Eriksson: Metall. Mater. Trans. A32 (2001) 1409.Search in Google Scholar

[32] A.Pelton: (Private communication).Search in Google Scholar

[33] A.Pelton, C.Bale: Metall. Trans. A17 (1986) 1211.Search in Google Scholar

[34] C.Davies: Ion Association, Butterworths, London (1962).10.1149/1.2426129Search in Google Scholar

[35] J.Tanger, H.Helgeson: Am. J. Sci.288 (1988) 19.Search in Google Scholar

[36] C.Harvie, N.Møller, J.Weare: Geochim. Cosmochim. Ac.48 (1984) 723.Search in Google Scholar

[37] I.Grenthe, A.Plyasunov, K.Spahiu, in: I.Grenthe, I.Puigdomenech (Eds.), Modelling in Aquatic Chemistry, Paris, OECD NEA (1997) 325.Search in Google Scholar

[38] H.Helgeson, D.Kirkham, G.Flowers: Am. J. Sci.281 (1981) 1249.Search in Google Scholar

[39] A.Belonoshko, S.Saxena: Geochim. Cosmochim. Ac.56 (1992) 3611.Search in Google Scholar

[40] C.Tsonopoulos: AIChE J.20 (1974) 263.10.1002/aic.690200209Search in Google Scholar

[41] P.Koukkari, K.Penttilä, K.Hack, S.Petersen, in: Y.Bréchet (Ed.), EUROMAT 99, Microstructures, Mechanical Properties and Processes: Computer Simulation and Modelling, Vol. 3, Wiley-VCH, Weinheim (2000) 323.Search in Google Scholar

[42] S.Petersen, K.Hack, P.Monheim, U.Pickartz: Int. J. Mater. Res. (this issue) (2007).Search in Google Scholar

[43] http://www.gtt-technologies.de/chemsheet.Search in Google Scholar

[44] http://www.gtt-technologies.de/simusage.Search in Google Scholar

[45] K.Penttilä: M.S. Thesis, Helsinki University of Technology, Department of Chemical Technology (1996).Search in Google Scholar

[46] http://balas.vtt.fi/.Search in Google Scholar

[47] S.Kaijaluoto, A.Kalliola, R.Pajarre, P.Koukkari, K.Penttilä: 8th Annual GTT-Technologies Workshop, GTT-Technologies, Herzogenrath, Germany, http://www.gtt-technologies.de/ (2006).Search in Google Scholar

[48] R.Backman, G.Eriksson, K.Sundström, in: A. Jokilaakso (Ed.), Proceedings of the 3rd Colloquium on Process Simulation, Espoo, Finland, Helsinki University of Technology (1996) 357 (Report TKK-V-B117).Search in Google Scholar

[49] R.John, A.Pelton, A.Young, W.Thompson, I.Wright, in: E. Opila, M. McNallan, D. Shores, D. Shifle (Eds.), Proceedings of High Temperature Corrosion and Materials Chemistry III, Washington DC (U.S.A.), ECS PV 2001–12, The Electrochemical Society (2001) 49.Search in Google Scholar

[50] R.John, A.Pelton, A.Young, W.Thompson, I.Wright, T.Besmann: Mater. Res.7 (2004) 163.Search in Google Scholar

[51] M.Braun, S.Kleditzsch, S.Martens: 7th Annual GTT-Technologies Workshop, GTT-Technologies, Herzogenrath, Germany, http://www.gtt-technologies.de/ (2005).Search in Google Scholar

[52] M.Braun, S.Kleditzsch, R.Scharler, I.Obernberger, M.Forstner, M.Jöller, G.Hofmeister: Prog. Comput. Fluid. Dy.6 (2006) 272.Search in Google Scholar

[53] G.Hassall, K.Bain, R.Young, M.Millman: Ironmak. Steelmak.25 (1998) 273.Search in Google Scholar

[54] G.Hassall, K.Bain, N.Jones, M.Warman: Ironmak. Steelmak.29 (2002) 383.Search in Google Scholar

[55] C.Treadgold: Ironmak. Steelmak.30 (2003) 120.10.1179/030192303225001685Search in Google Scholar

[56] European Community Research Fund for Coal and Steel, Project No. 7210-PR/331.Search in Google Scholar

[57] F.Verhaeghe: M.S. Thesis, Katholieke Universiteit Leuven, Department of Metallurgy and Materials Engineering, Leuven, Belgium (2003).Search in Google Scholar

[58] F.Verhaeghe, B.Blanpain, P.Wollants, in: Proceedings of the Third International Conference on CFD in the Minerals and Process Industries, CSIRO, Melbourne, Australia (2003) 449.Search in Google Scholar

[59] S.Arnout, F.Verhaeghe, B.Blanpain, P.Wollants, R.Hendrickx, G.Heylen: Steel Res. Int.77 (2006) 317.Search in Google Scholar

[60] S.Arnout: M.S. Thesis, Katholieke Universiteit Leuven, Department of Metallurgy and Materials Engineering, Leuven, Belgium (2004).Search in Google Scholar

[61] K.Verscheure, M.Van Camp, B.Blanpain, P.Wollants, P.Hayes, E.Jak, in: M. Nilmani, W.J. Rankin (Eds.), Proceedings of the John Floyd International Symposium on Sustainable Developments in Metals Processing, Melbourne, Australia (2005) 237.Search in Google Scholar

[62] K.Verscheure, M.Van Camp, B.Blanpain, P.Wollants, P.Hayes, E.Jak, K.Arenberg, in: Proceedings of EMC 2005 (2005).Search in Google Scholar

[63] K.Verscheure, M.Van Camp, B.Blanpain, P.Wollants, P.Hayes, E.Jak, in: F.Kongoli, R.Reddy (Eds.), Sohn International Symposium – Advanced Processing of Metals and Materials, Volume 1 – Thermo and Physicochemical Principles: Non-Ferrous High-Temperature Processing, Vol. 1, TMS (The Minerals, Metals & Materials Society) (2006) 361.Search in Google Scholar

[64] K.Verscheure, M.Campforts, F.Verhaeghe, E.Boydens, M.Van Camp, B.Blanpain, P.Wollants: Metall. Mater. Trans. B37(December 2006) 929.10.1007/BF02735015Search in Google Scholar

[65] M.Campforts, K.Verscheure, F.Verhaeghe, T.Van Rompaey, E.Boydens, B.Blanpain, P.Wollants, in: F.Kongoli, R.Reddy (Eds.), Sohn International Symposium – Advanced Processing of Metals and Materials, Volume 4 – New, Improved and Existing Technologies: Non-Ferrous Materials Extraction and Processing, Vol. 4, TMS (The Minerals, Metals & Materials Society) (2006) 309.Search in Google Scholar

[66] J.Liu, M.Guo, P.Jones, F.Verhaeghe, B.Blanpain, P.Wollants: J. European Ceram. Soc.27 (2007) 1961.Search in Google Scholar

[67] L.Holappa, M.Hämäläinen, M.Liukkonen, M.Lind, in: Sixth International Conference on Clean Steel, Balatonfüred, Hungary, 2002 (2002) 116.Search in Google Scholar

[68] H.Sippola, K.Fagerlund, in: A. Jokilaakso (Ed.), Proceedings of the Colloquium on Process Simulation, Espoo, Finland, Helsinki University of Technology (1994) 201 (Report TKK-V-B99).Search in Google Scholar

[69] P.Tan, I.Hurtado, D.Neuschütz, G.Eriksson: Environ. Sci. Technol.35 (2001) 1867.Search in Google Scholar

[70] P.Tan, I.Hurtado, D.Neuschütz: Chemosphere46 (2002) 1287.Search in Google Scholar

[71] C.Mueller, B.Skrifvars, R.Backman, M.Hupa: Prog. Comput. Fluid. Dy.3 (2003) 112.Search in Google Scholar

[72] C.Mueller, M.Selenius, M.Theis, B.Skrifvars, R.Backman, M.Hupa, H.Tran: P. Combust. Inst.30 (2004) 2991.Search in Google Scholar

[73] M.Liebetruth: Mathematische Modellierung des Mineralansatzverhaltens disperser Brennstoffe, Fortschritt-Berichte VDI, Reihe 6, Vol. 508, VDI Verlag (2003).Search in Google Scholar

[74] M.Hecken, U.Renz: 4th Annual GTT-Technologies Workshop, GTT-Technologies, Herzogenrath, Germany, http://www.gtt-technologies.de/ (2002).Search in Google Scholar

[75] M.Hecken: Numerische Simulation von Aschefilmen in Schmelz-feuerungen, Dissertation, RWTH Aachen, Fakultät für Maschinenwesen (2003).Search in Google Scholar

[76] E.Jak, A.Kondratiev, D.Saulov, P.Hayes, in: Proceedings of the 21st International Pittsburgh Coal Conference, Sep. 13–17, 2004, Osaka, Japan (2004) (Papers no. 2–4, ISBN 1-890977-21-7).Search in Google Scholar

[77] H.Watanabe: FactSage/ChemApp Users Meeting, Research Center of Computational Mechanics, Inc., Tokyo, Japan (2004).Search in Google Scholar

[78] M.Forstner, G.Hofmeister, M.Jöller, J.Dahl, M.Braun, S.Kleditzsch, R.Scharler, I.Obernberger: Prog. Comput. Fluid. Dy.6 (2006) 248.Search in Google Scholar

[79] K.Schulze, G.Hofmeister, M.Jöller, R.Scharler, I.Obernberger, R.Korbee, M.Cieplik, in: Impacts of Fuel Quality on Power Production, Snowbird, Utah (U.S.A.) (2006) 7.95–7.113 (Conference).Search in Google Scholar

[80] R.Scharler, M.Jöller, G.Hofmeister, M.Braun, S.Kleditzsch, I.Obernberger, in: 22. Deutscher Flammentag, Braunschweig, VDI-Berichte, Vol. 1888, VDI-Verlag (2005) 493.Search in Google Scholar

[81] M.Weghaus, H.Nordsieck, R.Warnecke, in: VDI-Wissensforum (Ed.), Beläge und Korrosion, Verfahrenstechnik und Konstruktion in Großfeuerungsanlagen, Seminar, 25.–26. April 2006, Würzburg, VDI-Verlag (2006).Search in Google Scholar

[82] T.Kawano, S.Hirohama: FactSage/ChemApp Users Meeting, Research Center of Computational Mechanics, Inc., Tokyo, Japan (2004).Search in Google Scholar

[83] M.Yokota: 7th Annual GTT-Technologies Workshop, GTT-Technologies, Herzogenrath, Germany, http://www.gtt-technologies.de/ (2005).Search in Google Scholar

[84] V.Trindade, U.Krupp, P.Wagenhuber, H.-J.Christ: Mater. Corros.56 (2005) 785.Search in Google Scholar

[85] U.Krupp, V.Trindade, P.Schmidt, H.-J.Christ, U.Buschmann, W.Wiechert: Mater. Corros.57 (2006) 263.Search in Google Scholar

[86] V.Trindade: Hochtemperaturoxidation chromlegierter Stähle und von Nickel-Basislegierungen: Experimentelle Untersuchung und Computersimulation, Dissertation, Universität Siegen, Fachbereich Maschinenbau (2006).Search in Google Scholar

[87] V.Trindade, U.Krupp, H.-J.Christ, M.Monteiro, F.Rizzo: Materialwiss. Werkst.36 (2005) 471.Search in Google Scholar

[88] U.Krupp, V.Trindade, P.Schmidt, H.-J.Christ, U.Buschmann, W.Wiechert: Defect Diffus. Forum237 (2005) 946.Search in Google Scholar

[89] L.Heikinheimo, D.Baxter, K.Hack, M.Spiegel, M.Hämäläinen, U.Krupp, K.Penttilä, M.Arponen: Mater. Corros.57 (2006) 230.Search in Google Scholar

[90] D.Baxter, L.Heikinheimo (Eds.), OPTICORR Guide Book – Optimisation of in-service performance of boiler steels by modelling high temperature corrosion, VTT Tiedotteita – Research Notes, Vol. 2309, VTT, Espoo, Finland (2005).Search in Google Scholar

[91] E.Königsberger, G.Eriksson: J. Solution Chem.28 (1999) 721.Search in Google Scholar

[92] E.Königsberger, G.Eriksson, P.May, G.Hefter: Ind. Eng. Chem. Res.44 (2005) 5805.Search in Google Scholar

[93] M.Manninen, U.Ojaniemi, K.Penttilä: 8th Annual GTT-Technologies Workshop, GTT-Technologies, Herzogenrath, Germany, http://www.gtt-technologies.de/ (2006).Search in Google Scholar

[94] H.Moog, S.Keesmann: GRS Bericht225, Gesellschaft für Anlagen und Reaktorsicherheit (GRS) mbH, GRS mbH, Braunschweig, Germany (2007).Search in Google Scholar

[95] M.Xie, H.Moog, W.Wang, H.-J.Herbert, H.Shao, O.Kolditz, in: The Mechanical Behaviour of Salt – Understanding of THMC Processes in Salt, Proceedings of the 6th Conference on the Mechanical Behavior of Salt 6SALTMECH69, Hannover, Germany, May 22–25, 2007, Taylor & Francis, London, UK (2007) 277 (ISBN 13: 978-0-415-44398-2).Search in Google Scholar

[96] F.Werunsky, Z.Hou, H.Moog, in: The Mechanical Behaviour of Salt – Understanding of THMC Processes in Salt, Proceedings of the 6th Conference on the Mechanical Behavior of Salt 6SALTMECH69, Hannover, Germany, May 22–25, 2007, Taylor & Francis, London, UK (2007) 269 (ISBN 13: 978-0-415-44398-2).Search in Google Scholar

[97] http://www.rockflow.de/.Search in Google Scholar

[98] C.McDermott, G.Kosakowski, R.Mettier, H.Moog, O.Kolditz, in: Proceedings of the Thirty-Second Workshop on Geothermal Reservoir Engineering Stanford University, Stanford, California, USA, SGP-TR-183 (2007).Search in Google Scholar

[99] E.Kothe, F.Palfner, R.Espinosa: Abschlussbericht, Reaktorsicherheitsforschungs-Vorhaben-Nr. 1501092, Brandenburgische Technische UniversitätCottbus (2001).Search in Google Scholar

[100] M.Nie: Temporary Melt Retention in the Reactor Pit of the European Pressurized Water Reactor (EPR), Dissertation, Universität Stuttgart, Fakultät für Maschinenbau (2005).Search in Google Scholar

[101] T.Tanaka, K.Hack, S.Hara: CALPHAD24 (2000) 465.Search in Google Scholar

[102] R.Pajarre, P.Koukkari, T.Tanaka, J.Lee: CALPHAD30 (2006) 196.Search in Google Scholar

[103] I.Vladimirov, S.Christie, E.Jak, in: Proceedings of the 18th International Pittsburgh Coal Conference, December 4–7, 2001, Newcastle, NSW, Australia (2001) (ISBN 1-890977-18-7).Search in Google Scholar

[104] E.Jak, A.Kondratiev, S.Christie, P.Hayes: Metal. Trans. B34 (2003) 595.Search in Google Scholar

[105] A.Kondratiev, E.Jak: Met. Trans. B36 (2005) 623.Search in Google Scholar

[106] F.Nörtemann: 7th Annual GTT-Technologies Workshop, GTT-Technologies, Herzogenrath, Germany, http://www.gtt-technologies.de/ (2005).Search in Google Scholar

[107] K.Greven, M.Fackeldey, A.Ludwig, T.Kraft, M.Rettenmayr, P.Sahm, in: B. Thomas, C. Beckermann (Eds.), Modeling of Casting, Welding, and Advanced Solidification Processes VIII (Proceedings of the Eighth International Conference on Modeling of Casting, Welding and Advanced Solidification Processes San Diego, California, USA), Minerals, Metals, & Materials Society (1998) 187.Search in Google Scholar

[108] M.Schneider, G.Gottstein, L.Löchte, J.Hirsch: Mater. Sci. Forum396 (2002) 637.Search in Google Scholar

[109] M.Schneider: Modellierung und Validierung zeitabhängiger mikrochemischer Prozesse in Aluminium Knetlegierungen, Dissertation, RWTH Aachen, Fakultät für Georessourcen und Materialtechnik (2006).Search in Google Scholar

[110] K.Hack, P.Cerfontaine, E.Fried, T.Kuhlen, C.Bischof, D.Senk, A.Babich: Int. J. Mater. Res. (this volume) (2007).Search in Google Scholar