冶金过程中复杂夹杂物和钢液化学平衡计算

CALCULATION OF CHEMICAL EQUILIBRIUM BETWEEN COMPLEX INCLUSIONS AND MOLTEN STEEL IN STEELMAKING

本文提出一个高温冶炼过程中预测非金属夹杂物沉淀的计算机程序。本研究中，多元硅酸盐溶体的Ｇｉｂｂｓ自由能由一个基于统计热力学的晶胞模型来计算，该晶胞模型按照氧与周围的阳离子构成的对称和非对称晶胞来描述硅酸盐熔体结构。假定高温冶炼时钢液与非金属夹杂物平衡，钢液中氧化物元素的活度由Ｗａｇｎｅｒ交互作用系数来计算，利用本程序可以估计炼钢时沉淀的非金属氧化物的成分，为调整冶炼工艺和提高产品质量提供指导，进一步可计算多元硅酸盐熔体的热力学性质。

A computer program for simulation of precipatation of nonmetallic inclusions in steel during pyrometallurgy process was developed. In the calculation, the Gibbs free energy of mixing of multicomponent silicate melts is calculated using a cell model based on chemical statistical thermodynamics. The silicate melts have been described in terms of an oxygen anion surrounded by two cations consisting of symmetric and asymmetric cell. The activities of oxide elements in steel are treated using Wagner's interaction coefficients. Under the assumption that the liquid is in equilibrium with nonmetallic inclusions, by use of this program one can estimate the composition of nonmetallic inclusions during steelmaking,and the properties of multicomponent silicates also can be calculated.