Correct Expressions of Enthalpy of Mixing and Excess Entropy from MIVM and Their Simplified Forms

作者: Dong-Ping Tao

DOI: 10.1007/S11663-015-0460-5

关键词: Entropy (energy dispersal)Chemical substanceGibbs free energyTernary operationCoordination numberImaginationMaterials scienceThermodynamicsEnthalpy of mixingBinary number

摘要: In this work, the author pointed out that empirically to compare molecular interaction volume model (MIVM) with thermodynamic definition of excess Gibbs energy would result in incorrect expressions enthalpy mixing and entropy. The correct molar partial enthalpies entropies from MIVM are consistent thermodynamically suggested for replacing their past ones. simplification Zi = Z 10 is verified be feasible by average errors fitting binary liquid alloys M-P (M Cr, Fe, Mn) predicting ternary Fe-Cr-P Fe-Mn-P using two coordination numbers phosphorus ZP 3.04 8.96. Further, simplified forms proposed easily properties a multicomponent system preliminarily tested coordinated mutually Au-Cu, Cd-Zn, Ca-Zn, Ni-Pb.

参考文章(20)
Edmundo Gomes de Azevedo, J. M. Prausnitz, Ruediger N. Lichtenthaler, Molecular Thermodynamics of Fluid-Phase Equilibria ,(1969)
Sophie Poizeau, Donald R. Sadoway, Application of the molecular interaction volume model (MIVM) to calcium-based liquid alloys of systems forming high-melting intermetallics. Journal of the American Chemical Society. ,vol. 135, pp. 8260- 8265 ,(2013) , 10.1021/JA4013886
George Kaptay, On the Tendency of Solutions to Tend Toward Ideal Solutions at High Temperatures Metallurgical and Materials Transactions A-physical Metallurgy and Materials Science. ,vol. 43, pp. 531- 543 ,(2012) , 10.1007/S11661-011-0902-X
A. I. Zaitsev, Zh. V. Dobrokhotova, A. D. Litvina, B. M. Mogutnov, Thermodynamic properties and phase equilibria in the Fe–P system J. Chem. Soc., Faraday Trans.. ,vol. 91, pp. 703- 712 ,(1995) , 10.1039/FT9959100703
Hong Wei Yang, Dong Ping Tao, Prediction of the Mixing Enthalpies of the Al-Cu-Ni-Zr Quaternary Alloys by the Molecular Interaction Volume Model Metallurgical and Materials Transactions A. ,vol. 39, pp. 945- 949 ,(2008) , 10.1007/S11661-008-9474-9
A.I. Zaitsev, A.D. Litvina, N.E. Shelkova, B.M. Mogutnov, Association in ternary metallic melts Fe-Mn-Si, Fe-Cr-P and Fe-Mn-P Thermochimica Acta. ,vol. 314, pp. 307- 315 ,(1998) , 10.1016/S0040-6031(98)00265-2
Christopher W. Bale, Arthur D. Pelton, The unified interaction parameter formalism: Thermodynamic consistency and applications Metallurgical and Materials Transactions A-physical Metallurgy and Materials Science. ,vol. 21, pp. 1997- 2002 ,(1990) , 10.1007/BF02647247