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Comparison of Different Calculation Methods of the New Generation Geometric Model in Predicting the Density of NaCl–MgCl2–CaCl2 Systems

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Abstract

The new generation geometric model has been proposed to calculate the thermodynamic properties for multi-component systems in terms of the properties of their corresponding binaries, in which the “similarity coefficient” ξ has been introduced based on the “deviation sum of squares”, η 1. This function is the key conception of the new generation geometrical model. A different η function besides “deviation sum of squares” has been mentioned in the previous papers. However, discussion of the effect of η in the prediction is scarce. In this paper the density data of molten NaCl–MgCl2–CaCl2 systems were predicted via three different η parameters. It is found that different kinds of η functions yield different calculation results. The results show that the mean relative errors of three different η parameters were no more than 0.75 %, which is in an acceptable range. Therefore, the two methods proposed in this paper could be used for computing physicochemical properties. Three other η functions were also provided and discussed.

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References

  1. Chou, K.C.: A general solution model for predicting ternary thermodynamic properties. Calphad 19, 315–325 (1995)

    Article  CAS  Google Scholar 

  2. Chou, K.C., Wei, S.K.: A new generation solution model for predicting thermodynamic properties of a multicomponent system from binaries. Metall. Mater. Trans. B 28, 439–445 (1997)

    Article  Google Scholar 

  3. Živković, D., Du, Y., Talijan, N., Kostov, A., Balanović, L.: Calculation of thermodynamic properties in liquid phase for ternary Al–Ni–Zn alloys. Trans. Nonferrous Met. Soc. China 22, 3059–3065 (2012)

    Article  Google Scholar 

  4. Chen, Z., Liu, J., Yu, Z., Chou, K.C.: Electrical conductivity of CaCl2–KCl–NaCl system at 1080 K. Thermochim. Acta 543, 107–112 (2012)

    Article  CAS  Google Scholar 

  5. Hindler, M., Mikula, A.: Calorimetric investigations of liquid gold–antimony–tin alloys. Int. J. Mater. Res. 103, 858–865 (2012)

    Article  CAS  Google Scholar 

  6. Nikolaev, V., Satgaraev, A., Sultanova, R.: Predicting property isotherms of ternary mixtures on isotherms of the binary mixtures, presented by a non-stoichiometric model. J. Solution Chem. 41, 953–964 (2012)

    Article  CAS  Google Scholar 

  7. Zeng, H.H., Xiang, X.Z., Lei, S.M.: Formation enthalpies of yellow gold alloys with re addition calculated with Chou’ models. Adv. Mater. Res. 476, 89–93 (2012)

    Article  Google Scholar 

  8. Chou, K.C., Austin Chang, Y.: A study of ternary geometrical models. Ber Bunsen. Phys. Chem. 93, 735–741 (1989)

    Article  CAS  Google Scholar 

  9. Iloukhani, H., Khanlarzadeh, K.: Physicochemical properties of quaternary systems and comparison of different geometrical models. J. Chem. Eng. Data 56, 4244–4252 (2011)

    Article  CAS  Google Scholar 

  10. Zhang, G.H., Wang, L.J., Chou, K.C.: A comparison of different geometrical models in calculating physicochemical properties of quaternary systems. Calphad 34, 504–509 (2010)

    Article  CAS  Google Scholar 

  11. Kohler, F.: Estimation of the thermodynamic data for a ternary system from the corresponding binary systems. Monatsh. Chem. 91, 738–740 (1960)

    Article  CAS  Google Scholar 

  12. Muggianu, Y., Gambino, M., Bros, J.: A new solution model. J. Chim. Phys. 72, 83–88 (1965)

    Google Scholar 

  13. Zhang, G.H., Chou, K.C.: General formalism for new generation geometrical model: application to the thermodynamics of liquid mixtures. J. Solution Chem. 39, 1200–1212 (2010)

    Article  CAS  Google Scholar 

  14. Chou, K.C.: New generation solution geometrical model and its further development. Acta Metall. Sinica 33, 126–132 (1997). (in Chinese)

    Google Scholar 

  15. Grjotheim, K., Holm, J., Lillebuen, B., Øye, H.: Densities and excess molar volumes of binary and ternary melts of MgCl2, CaCl2 and AlkCl. Trans. Faraday Soc. 67, 640–648 (1971)

    Article  CAS  Google Scholar 

  16. Redlich, O., Kister, A.: Algebraic representation of thermodynamic properties and the classification of solutions. Ind. Eng. Chem. 40, 345–348 (1948)

    Article  Google Scholar 

  17. Janz, G.J., Allen, C.B., Bansal, N., Murphy, R., Tomkins, R.: Physical properties data compilations relevant to energy storage. II. Molten salts: data on single and multi-component salt systems. In: Rensselaer Polytechnic Inst., Cogswell Lab., Troy (1979)

  18. Janz, G.J., Tomkins, R.: Physical properties data compilations relevant to energy storage. IV. In: Molten salts: data on Additional single and multi-component salt systems. National Standard Reference Data System (1981)

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Acknowledgments

The authors wish to express thanks to the Chinese National Science Foundation (Grant No. 51174022) and the National Program on Key Basic Research Project of China (Grant No. 2012CB215405) for their kind financial support.

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Authors and Affiliations

  1. State Key Laboratory of Advanced Metallurgy, University of Science and Technology Beijing, Beijing, 100083, People’s Republic of China

    Zhi-Yuan Chen, Li-Jun Wang & Kuo-Chih Chou

  2. School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing, 100083, People’s Republic of China

    Zhi-Yuan Chen, Li-Jun Wang & Kuo-Chih Chou

  3. School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, People’s Republic of China

    Fu-Shen Li

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  1. Zhi-Yuan Chen
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  2. Li-Jun Wang
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  4. Fu-Shen Li
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Correspondence to Kuo-Chih Chou.

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Chen, ZY., Wang, LJ., Chou, KC. et al. Comparison of Different Calculation Methods of the New Generation Geometric Model in Predicting the Density of NaCl–MgCl2–CaCl2 Systems. J Solution Chem 43, 577–584 (2014). https://doi.org/10.1007/s10953-014-0147-6

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  • DOI: https://doi.org/10.1007/s10953-014-0147-6

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