THERMODYNAMIC DATABASES AND EQUILIBRIUM CALCULATIONS IN METALLURGICAL PROCESSES

摘要

Thermodynamic database computing systems consist of a suite of Gibbs energy minimization programs for the calculation of multiphase multicomponent equilibria coupled with extensive databases for pure substances and multicomponent solutions. The solution databases contain model parameters which are generally obtained by optimization of thermodynamic and phase diagram data of binary and ternary subsystems. The development of large databases is discussed for alloys, slags and glasses, salt solutions, mattes, ceramic solutions, etc. Emphasis is placed upon the proper choice of a model which correctly reflects the structure of the solution. Examples are given of calculations in which these databases are employed to simulate metallurgical and chemical processes such as continuous Pb smelting, ash formation during wood combustion for power generation and refractory corrosion in coal gasification. [References: 28]