The molecular interaction volume model is utilized to analyze the composition dependence of thermodynamic properties like Gibbs excess free energy of mixing, free energy of mixing, activity coefficients, activity, microscopic properties such as concentration fluctuations, short-range order parameter and diffusivity ratio of Cd-Tl melts at 750 K. The required interaction parameters are evaluated by Newton-Raphson method using the observed data of activity coefficients of constituent atoms in the infinite dilute solution region. The computed data for excess free energy of mixing, Gibbs free energy of mixing, activity, activity coefficients and concentration fluctuations exhibit excellent harmony with the analogous experimental data for Cd-Tl melts at 750 K. The observed asymmetries in excess free energy of mixing, free energy of mixing and concentration fluctuations for Cd-Tl melts at 750 K are successfully explained. The short-range order parameter and diffusivity relative to the composition for Cd-Tl melts at 750 K are theoretically predicted. The results illustrate the segregating character of Cd-Tl melts at 750 K. Further, the thermodynamic, microscopic and transport properties of Cd-Tl melts at 650 K, 750 K, 850 K, 950 K and 1050 K are predicted theoretically. The segregating behavior of Cd-Tl melts decreases with the elevation in temperature from 650 - 1050 K.
References
[1]
Dinsdale, A.T. (1991) SGTE Data for Pure Elements. Calphad, 15, 317-425. https://doi.org/10.1016/0364-5916(91)90030-n
[2]
Pelton, A.D. (1988) The Cd-Na (Cadmium-Sodium) System. Bulletin of Alloy Phase Diagrams, 9, 41-46. https://doi.org/10.1007/bf02877458
[3]
Hultgren, R., Desai, P.D., Hawkins, D.T., Gleiser, M. and Kelley, K.K. (1973) Selected Values of the Thermodynamic Properties of Binary Alloys. Metal Park (Ohio), ASM.
[4]
Singh, R.N. and Sommer, F. (1997) Segregation and Immiscibility in Liquid Binary Alloys. Reports on Progress in Physics, 60, 57-150. https://doi.org/10.1088/0034-4885/60/1/003
[5]
Liu, Y.J., Yu, D. and Ge, Y. (2009) Thermodynamic Optimization of the Cd-Na and Cd-Tl Binary Systems. Journal of Alloys and Compounds, 473, 60-64. https://doi.org/10.1016/j.jallcom.2008.05.106
[6]
Awe, O.E. (2018) Thermodynamic Investigation of Thermophysical Properties of Thallium-Based Liquid Alloys. Physics and Chemistry of Liquids, 57, 296-310. https://doi.org/10.1080/00319104.2018.1443453
[7]
Tao, D.P. (2000) A New Model of Thermodynamics of Liquid Mixtures and Its Application to Liquid Alloys. ThermochimicaActa, 363, 105-113. https://doi.org/10.1016/s0040-6031(00)00603-1
[8]
Ding, G.H., Liang, L.M., Meng, P., Wang, L., Wang, Y.X., Wang, Y.J., et al. (2019) Application of the Molecular Interaction Volume Model to the Assessment of Thermodynamic Properties of Liquid Zn-Bi Alloys. MetallicMaterials, 57, 55-60. https://doi.org/10.4149/km_2019_1_55
[9]
Yang, H.W., Tao, D.P. and Zhou, Z.H. (2008) Prediction of the Mixing Enthalpies of Binary Liquid Alloys by Molecular Interaction Volume Model. ActaMetallurgicaSinica (EnglishLetters), 21, 336-340. https://doi.org/10.1016/s1006-7191(08)60056-3.
[10]
Liang, L.M., Ding, G.H., Wang, Y.X. and Liu, Y. (2021) Thermodynamic Properties of Liquid Zn-Cd Alloys Investigated by the Molecular Interaction Volume Model. PhysicsandChemistryofLiquids, 59, 706-715. https://doi.org/10.1080/00319104.2020.1808655
[11]
Awe, O.E. and Oshakuade, O.M. (2017) Theoretical Prediction of Thermodynamic Activities of Liquid Au-Sn-X (X=Bi, Sb, Zn) Solder Systems. Physica B: Condensed Matter, 507, 84-94. https://doi.org/10.1016/j.physb.2016.11.035
[12]
Roy, N.K., Vrind, N., Sahu, R.K., Mandal, J. and Jha, I.S. (2025) Prediction of the Alloying Behaviour of Ni-Pd Melts by Molecular Interaction Volume Model. IOP Conference Series: Materials Science and Engineering, 1334, Article 012005. https://doi.org/10.1088/1757-899x/1334/1/012005
[13]
Sah, S.K., Jha, I.S. and Koirala, I. (2023) Theoretical Examination of Some Thermodynamic Properties in In-Bi-Sn Liquid Alloy and Its Sub-Binary Systems. Journal of Electronic Materials, 52, 6350-6359. https://doi.org/10.1007/s11664-023-10571-y
[14]
Odusote, Y.A., Popoola, A.I., Adedayo, K.D. and Ogunjo, S.T. (2017) Thermodynamic Properties of Al in Ternary Lead-Free Solder Al-Sn-Zn Alloys. Materials Science-Poland, 35, 583-593. https://doi.org/10.1515/msp-2017-0080
[15]
Sah, S.K., Jha, I.S. and Koirala, I. (2024) Thermodynamic Activity in Zn-Cu-Sn-In Liquid Solder Alloys: A Comprehensive Analysis Using the Molecular Interaction Volume Model. Welding International, 38, 265-276. https://doi.org/10.1080/09507116.2024.2325151
[16]
Bhatia, A.B. and Thornton, D.E. (1970) Structural Aspects of the Electrical Resistivity of Binary Alloys. Physical Review B, 2, 3004-3012. https://doi.org/10.1103/physrevb.2.3004
[17]
Bhatia, A.B. and Hargrove, W.H. (1974) Concentration Fluctuations and Thermodynamic Properties of Some Compound Forming Binary Molten Systems. Physical Review B, 10, 3186-3196. https://doi.org/10.1103/physrevb.10.3186
[18]
Warren, B.E. (1969) X-Ray Diffraction. Addison-Wesley Publishing Company.
[19]
Cowley, J.M. (1950) An Approximate Theory of Order in Alloys. Physical Review, 77, 669-675. https://doi.org/10.1103/physrev.77.669
[20]
Singh, R.N. (1987) Short-Range Order and Concentration Fluctuations in Binary Molten Alloys. Canadian Journal of Physics, 65, 309-325. https://doi.org/10.1139/p87-038
[21]
Darken, L.S. (1967) Thermodynamics of Binary Metallic Solutions. Transactions of the Metallurgical Society of AIME, 239, 80-89.
[22]
Singh, A.P., Chaudhary, R.P., Kumari, R., Jha, I.S. and Mandal, J. (2022) Stability of NaK Liquid Alloys at Different Temperatures. Materials Today: Proceedings, 66, 2251-2258. https://doi.org/10.1016/j.matpr.2022.06.097
[23]
Darken, L.S. (1948) Diffusion, Mobility and Their Interrelation through Free Energy in Binary Metallic Systems. Transactions of AIME, 175, 184-201.
[24]
Iida, T. and Guthrie, R.I.L. (1988) The Physical Properties of Liquid Metals. Oxford University Press.
[25]
Chaudhary, R.P., Mandal, J. and Jha, I.S. (2022) Concentration Dependence of the Bulk and Surface Properties of Liquid AlZn Alloys at 1000 K. MaterialsToday: Proceedings, 59, 397-404. https://doi.org/10.1016/j.matpr.2021.11.358
[26]
Singh, A.P., Chaudhary, R.P., Hussain, M.M., Mandal, J. and Jha, I.S. (2025) Theoretical Study of the Stability of CdSn Liquid Alloy at Different Temperatures. Diffusion Foundations and Materials Applications, 37, 37-51. https://doi.org/10.4028/p-efgqf5
[27]
Jha, I.S., Singh, R.N., Srivastava, P.L. and Mitra, N.R. (1990) Stability of HgNa and HgK Liquid Alloys. Philosophical Magazine B, 61, 15-24. https://doi.org/10.1080/13642819008208649
[28]
Abodunrin, O.W. and Ajayi, A.A. (2022) Calculation of Excess Stability Functions of Four Binary Alloys. Jordan Journal of Physics, 14, 193-200.
[29]
Shrestha, G.K., Singh, B.K., Jha, I.S., Singh, B.P. and Adhikari, D. (2017) Optimization Method for the Study of the Properties of Al-Sn Binary Liquid Alloys. PhysicaB: CondensedMatter, 514, 1-7. https://doi.org/10.1016/j.physb.2017.03.005
