摘要
综述了含化学反应的相平衡求解方法，并对其现状作了分析。从应用角度看，Ｇｉｂｂｓ自由能最小法是使用最悠久的方法，比较成熟，但收敛慢，对初值要求高，虽然作了一些改进，对复杂体系的计算仍难有通用性，Ｋ－值法收敛快，对于受约束的反应系统和非等温等复杂问题的处理更为直观简便，计算机程序编制也更容易，特别是ＫＺ法使用了内外两层循环，从而有可能将其通用化。
Phase equilibria with chemical reactions play an important role in chemical, hydrometallurgical and petroleum industries. They can be classified into three types: non homogeneous reactions, chemical physical model for describing the non ideality of multiple phase, and phase equilibria with the metathetical reactions in a phase. For the calculations of different kinds of phase equilibria with chemical reactions, a generalized algorithm was required. The latest progresses in the algorithms, Gibbs energy and K value algorithms, solving chemical equilibria and phase equilibria were reviewed. In view of the applications, the K value algorithm could be conventionally generalized for solving phase equilibria with chemical reactions, which has been verified with the calculations of vapor liquid equilibria and solid liquid equilibria for electrolyte solutions with chemical reactions using the “inner outer K value” algorithm developed by the authors.
出处
《南京化工大学学报》
1996年第4期121-126,共6页
Journal of Nanjing University of Chemical Technology(Natural Science Edition)
基金
国家自然科学基金
国家教委青年教师基金
关键词
化学反应
相平衡
计算
chemical reaction phase equilibrium algorithm
