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Thermodynamics of BaNd2O4 and phase diagram of the BaO–Nd2O3 system

Published online by Cambridge University Press:  16 July 2019

Weiping Gong  and
Alexandra Navrotsky
Weiping Gong*
Affiliation:
Laboratory of Electronic Functional Materials, Huizhou University, Huizhou, Guangdong 516001, People’s Republic of China; and School of Chemistry and Materials Engineering, Huizhou University, Huizhou, Guangdong 516001, People’s Republic of China
Alexandra Navrotsky*
Affiliation:
Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California Davis, Davis, California 95616, USA
*
a)Address all correspondence to these authors. e-mail: gwp@hzu.edu.cn
b)e-mail: anavrotsky@ucdavis.edu
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Abstract

The BaNd2O4 compound and the BaO–Nd2O3 system are of interest for electroceramics. In this work, we synthesized BaNd2O4 by solid-state reaction, measured its heat capacity from 573 to 1273 K by differential scanning calorimetry, and determined its enthalpy of formation from component oxides at 298 K by high-temperature oxide melt solution calorimetry to be −43.75 ± 4.68 kJ/mol. Our newly determined values and available literature data were employed to assess the phase equilibria in the BaO–Nd2O3 system using CALPHAD methodology. A self-consistent thermodynamic database and the calculated phase diagram of the BaO–Nd2O3 system are provided. The optimized thermodynamic parameters are in good agreement with available experimental data. BaNd2O4 is calculated to melt incongruently at 2177 K. This thermodynamic analysis is essential for the optimization of synthesis conditions for materials and for the evaluation of their stability under appropriate technological operating conditions.

Keywords

electronic materialscalorimetryphase equilibria
Type
Invited Paper
Information
Journal of Materials Research , Volume 34 , Issue 19: Focus Issue: Thermodynamics of Complex Solids , 14 October 2019 , pp. 3337 - 3342
Copyright
Copyright © Materials Research Society 2019 

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Footnotes

c)

This author was an editor of this journal during the review and decision stage. For the JMR policy on review and publication of manuscripts authored by editors, please refer to http://www.mrs.org/editor-manuscripts/.

References

Kobayashi, H., Ogino, H., Nakamura, K., Mori, T., Yamamura, H., and Mitamura, T.: Order-disorder transition of BaM2O4 (M: La, Nd, Sm, Gd, Ho, Y) bodies synthesized by sintering of BaCO3–M2O3 mixtures. J. Ceram. Soc. Jpn. 102, 583–586 (1994).CrossRefGoogle Scholar
Doi, Y., Nakamori, W., and Hinatsu, Y.: Crystal structures and magnetic properties of magnetically frustrated systems BaLn2O4 and Ba3Ln4O9 (Ln = lanthanide). J. Phys.: Condens. Matter 18, 333–344 (2006).Google Scholar
Besara, T., Lundberg, M.S., Sun, J.F., Ramirez, D., Dong, K.Y., Whalen, J.B., Vasquez, R., Herrera, F., Allen, J.R., Davidson, M.W., and Siegrist, T.: Single crystal synthesis and magnetism of the BaLn2O4 family (Ln = lanthanide). Prog. Solid State Chem. 42, 23–36 (2014).CrossRefGoogle Scholar
Puig, T., Martinez, B., Yu, R., Hu, A., Gomiz, V., Sandiumenge, F., and Obradors, X.: Critical currents in air processed NdBa2Cu3O7 melt-textured superconductors. Appl. Supercond. 6, 119–127 (1998).CrossRefGoogle Scholar
Chen, I-G., Chang, F-C., and Wu, M-K.: Enhancement of the superconducting properties of air-processed melt-growth Sm–Ba–Cu–O with the addition of Sm2BaO4. Supercond. Sci. Technol. 15, 717–721 (2002).CrossRefGoogle Scholar
Winnie, W-N., Lawrence, P.C., Boris, P., Michael, D.H., and Judith, K.S.: Crystal chemistry and phase equilibrium studies of the BaO(BaCO3)–1/2R2O3–CuOx systems in air: VI, R = neodymium. J. Am. Ceram. Soc. 77, 2354–2362 (1994).Google Scholar
Costa, G.A., Ferretti, M., Franceschi, E.A., and Olcese, G.L.: Thermal analysis in the M–Ba–Cu–O systems (M = Y, La, Pr) in relation to high Tc superconductor. Thermochim. Acta 133, 17–22 (1988).CrossRefGoogle Scholar
Wong-Ng, W., Cook, L.P., Suh, J., Coutts, R., Stalick, J.K., Levin, I., and Huang, Q.: BaO–Nd2O3–CuOx subsolidus equilibria under carbonate-free conditions at pO2 = 100 Pa and at pO2 = 21 kPa. J. Solid State Chem. 173, 476–488 (2003).CrossRefGoogle Scholar
Yamagata, N., Igarashi, K., Saitoh, H., and Okazaki, S.: Preparation of a voluminous composite oxide of BaLa2O4 and its catalytic performance for the oxidative coupling of methane. Bull. Chem. Soc. Jpn. 66, 1799–1806 (1993).CrossRefGoogle Scholar
Lopato, L.M.: Highly refractory oxide systems containing oxides of rare-earth elements. Ceram. Interfaces 2, 18–32 (1976).Google Scholar
Subasri, R. and Sreedharan, O.M.: Thermodynamic stabilities of Ln2BaO4 (Ln = Nd, Sm, Eu, or Gd) by CaF2-based Emf measurements. J. Alloys Compd. 274, 153–156 (1998).CrossRefGoogle Scholar
Vakhovskaya, Z.S., Voskov, A.L., Kovba, M.L., and Uspenskaya, I.A.: High-temperature thermodynamic properties of Ln2BaO4 (Ln = Nd, Gd, Dy, Ho, Er) compounds. J. Alloys Compd. 408–412, 257–259 (2006).CrossRefGoogle Scholar
Gong, W.P., Ushakov, S.V., Agca, C., and Navrotsky, A.: Thermochemistry of BaSm2O4 and thermodynamic assessment of the BaO–Sm2O3 system. J. Am. Ceram. Soc. 101, 5827–5835 (2018).CrossRefGoogle Scholar
Thermodynamic Properties of Minerals and Related Substances at 298 K and 1 Bar. US Geological Survey Bulletin 1452, Robie, R.A., Hemingway, B.S., and Fisher, J.R., eds. (United states government printing office, Washington, 1978).Google Scholar
Barin, I.: Thermochemical Data of Pure Substances, 3rd ed. (VCH, New York, 1995).CrossRefGoogle Scholar
Navrotsky, A.: Progress and new directions in calorimetry: A 2014 perspective. J. Am. Ceram. Soc. 97, 3349–3359 (2014).CrossRefGoogle Scholar
Hayun, S. and Navrotsky, A.: Formation enthalpies and heat capacities of rare earth titanates: RE2TiO5 (RE = La, Nd, and Gd). J. Solid State Chem. 187, 70–74 (2012).CrossRefGoogle Scholar
Levitskii, V.A.: Thermodynamics of double oxides. I. Some aspects of the use of calcium fluoride-type electrolyte for thermodynamic study of compounds based on oxides of alkaline earth metals. J. Solid State Chem. 5, 9–22 (1978).CrossRefGoogle Scholar
Kopp, H.: Investigations of the specific heat of solid bodies. Philos. Trans. R. Soc. London 155, 71–202 (1865).Google Scholar
Zinkevich, M.: Thermodynamics of rare earth sesquioxides. Prog. Mater. Sci. 52, 597–647 (2007).CrossRefGoogle Scholar
Andersson, J.Q., Helander, T., Hoglund, L., Shi, P., and Sundman, B.: Thermo-calc & dictra, computational tools for materials science. Calphad 26, 273–312 (2002).CrossRefGoogle Scholar
Andersson, J.Q., Guillermet, A.F., Gustafson, P., Hillert, M., Jansson, B., Jonsson, B., and Ågren, J.: A new method of describing lattice stabilities. Calphad 11, 93–98 (1987).CrossRefGoogle Scholar
Lysenko, V.A.: Thermodynamic calculations of phase equilibria in the barium-neodymium-oxygen system. Russ. J. Phys. Chem. 78, 577–578 (2004).Google Scholar
Redlich, O. and Kister, A.T.: Algebraic representation of thermodynamic properties and the classification of solutions. Ind Eng Chem 40, 345–349 (1948).CrossRefGoogle Scholar
Sundmsn, B., Jansson, B., and Andersson, J-O.: The thermo-Calc databank system. Calphad 9, 153–190 (1985).CrossRefGoogle Scholar
ASTM: Standard Test Method for Determining Specific Heat Capacity by Differential Scanning Calorimetry. Vol ASTM E1269-11 (ASTM International, West Conshohocken, PA, 2011).Google Scholar
Ditmars, D.A., Ishihara, S., Chang, S.S., Bernstein, G., and West, E.D.: Enthalpy and heat-capacity standard reference material: Synthetic sapphire (α-Al2O3) from 10 to 2250 K. J. Res. Natl. Bur. Stand. (U. S.) 87, 159–163 (1982).CrossRefGoogle Scholar
Navrotsky, A.: Progress and new directions in high-temperature calorimetry. Phys. Chem. Miner. 2, 89–104 (1977).CrossRefGoogle Scholar
Navrotsky, A.: Progress and new directions in high temperature calorimetry revisited. Phys. Chem. Miner. 24, 222–241 (1997).CrossRefGoogle Scholar