A modified least squares algorithm to treat associations in liquid alloys

作者: S. Srikanth , K.T. Jacob

DOI: 10.1016/0364-5916(89)90015-1

关键词:

摘要: The associated model for binary systems has been modified to include volume effects and excess entropy arising from preferential interactions between the associate free atoms or atoms. Equations thermodynamic mixing functions have derived. An optimization procedure using a conjugate gradient method used evaluate enthalpy interaction energies, energy of dissociation complex, its temperature dependance size associate. expression concentration—concentration structure factor [Scc (0)] deduced solution model. analysis applied liquid Ga-Te alloys at 1120 K, believed contain Ga2Te3 associates. It is observed that incorporating terms describes properties system satisfactorily.

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