Abstract
A comprehensive thermodynamic model of KF-CrF3 system was established. The intermediate phases K2Cr5F17, KCrF4, K2CrF5 and K3CrF6 were described by the stoichiometric compound model and the liquid phase by associated solution model. All the model parameters were optimized by the experimental phase equilibria data assisted by the first-principles prediction within the framework of the calculation of phase diagram(CALPHAD) method. It is demonstrated that the calculated results are fairly consistent with the experimental data, thus we obtained a set of self-consistent and reliable thermodynamic parameters which could well describe the phase equilibria and thermodynamic properties of KF-CrF3 system.
Similar content being viewed by others
References
Abram T., Ion S., Energy Policy, 2008, 36(12), 4323
LeBlanc D., Nucl. Eng. Des., 2010, 240(6), 1644
Rosenthal M., Kasten P., Briggs R., Nucl. Appl. Technol., 1970, 8(2), 107
LeBlanc D., Report for US Thorium Alliance, 2009, http://www.torium.Se/res/Documents/dleblancnewvisionge nivpdf. Pdf.
Hargraves R., Moir R., Am. Sci., 2010, 98(4), 304
Furukawa K., Arakawa K., Erbay L. B., Ito Y., Kato Y., Kiyavitskaya H., Lecocq A., Mitachi K., Moir R., Numata H., Pleasant J. P., Sato Y., Shimazu Y., Simonenco V. A., Sood D. D., Urban C., Yoshioka R., Energy Convers. Manag., 2008, 49(7), 1832
Renault C., Hron M., Konings R., Holcomb E. D., The Molten Salt Reactor(MSR) in Generation IV: Overview and Perspectives, GIF Symposium, Paris, 2009, 191
Yildiz B., Kazimi M., Int. J. Hydrog. Energy, 2006, 31(1), 77
Forsberg C., Peterson P., Zhao H., J. Sol. Energ., 2007, 129(2), 141
Misra A., Whittenberger J., National Aeronautics and Space Administration Memorandum 89913, 1987, http://ntrs.nasa.gov/archive/ nasa/casi.ntrs.nasa.gov/19870014593.pdf
Forsberg C., Renault C., Le Brun C., Merle-Lucotte E., Ignatiev V., Liquid Salt Applications and Molten Salt Reactors, International Congress on Advances in Nuclear Power Plants, Nice, 2007, 63
Sridharan K., Anderson M., Corradini M., Allen T., Olson L., Ambrosek J., Ludwig D., Nuclear Energy Research Initiative Final Report No.DE-FC07-05ID14675, University of Wisconsin System, Madison, 2008
Seregin M., Parshin A., Kuznetsov A., Ponomarev L., Mel’nikov S., Mikhalichenko A., Rzheutskii A., Manuilov R., Radiochemistry, 2011, 53(5), 491
Seregin M., Parshin A., Kuznetsov A., Ponomarev L., Mel’nikov S., Mikhalichenko A., Rzheutskii A., Manuilov R., Radiochemistry, 2011, 53(1), 69
Rosenthal M., Haubenreich P., Briggs R., ORNL Report No.4812, Oak Ridge, Tennessee, 1972
Richardson L., Vreeland D, Manly W., ORNL Report No.1491, Oak Ridge, Tennessee, 1953
Olson L., Ambrosek J., Sridharan K., Anderson M., Allen T., J. Fluorine Chem., 2009, 130(1), 67
Shaffer J., ORNL Report No. 4616, Oak Ridge, Tennessee, 1971
Jordan W., Cromer S., Miller A., ORNL Report No.2157, Oak Ridge, Tennessee, 1956
Jordan W., Cromer S., Strough R., Miller A., Savolainen A., ORNL Report No.1816, Oak Ridge, Tennessee, 1955
Saunders N., Miodownik A., CALPHAD(Calculation of Phase Diagrams): A Comprehensive Guide, Elsevier Science Ltd., Oxford, 1998, 1
Chang Y., Chen S. L., Zhang F., Yan X. Y., Xie F. Y., Schmid-Fetzer R., Oates W., Prog. Mater. Sci., 2004, 49(3/4), 313
Liu Z. K., J. Phase Equlib. Diff., 2009, 30(5), 517
Kozak A., C. R. Acad Sci. Paris, 1969, 268(Series C), 416
Georg K., Jürgen F., Phys. Rev. B, 1996, 54(16),11169
Blöchl E., Phys. Rev. B, 1994, 50(24), 17953
Perdew J., Chevary J., Vosko S., Jackson J., Pederson M., Singh D., Fiolhais C., Phys. Rev. B., 1992, 46(11), 6671
Yin H. Q., Wang K., Liu W. G., Xie L. D., Han H., Wang W. F., Chem. J. Chinese Universities, 2014, 35(12), 2668
Glushko Thermocenter of the Russian Academy of Sciences, IVTAN Association, HSC/DATABASES/MainDB6.REF, Moscow, 1996
Zhang S. J., Brubaker C., Jiang C., Yang M., Zhong Y., Han Q.Y., Liu Z. K., Mater. Sci. Eng. A, 2006, 418(1/2), 161
Dinsdale T., Calphad, 1991, 15(4), 317
Cancarevic M., Zinkevich M., Aldinger F., Calphadb, 2007, 31(3), 330
Robelin C., Chartrand P., J. Chem. Thermodyn., 2011, 43(3), 377
Redlich O., Kister A., Ind. Eng. Chem., 1948, 40(2), 345
Arroyave R, Walle A., Liu Z. K., Acta Mater., 2006, 54(2), 473
Author information
Authors and Affiliations
Corresponding author
Additional information
Supported by the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XD02002400).
Rights and permissions
About this article
Cite this article
Yin, H., Wang, K., Xie, L. et al. Thermodynamic modeling of KF-CrF3 binary system. Chem. Res. Chin. Univ. 31, 461–465 (2015). https://doi.org/10.1007/s40242-015-4319-8
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s40242-015-4319-8