摘要
PPEC(Programming Package of Equilibria Cal culation)是一个多相多组分化学平衡计算程序包,它包括有 RVCS 法,SVMP 法,M-SVMP 法和 GCG 法四种有效的通用计算方法,可以良好地处理复杂的冶金体系化学平衡计算。本文中介绍在体系中含有六十多种物质、四十多个物相,理想体系或非理想体系的一些应用实例.例如:钢水利用 Al、Si 脱硫、化学气相沉积 Al_2_3,火法炼铅过程等冶金复杂体系化学平衡计算的示例。该程序包可为指定体系推荐最佳计算方法、自动求取独立反应式、计算反应进度等。
PPEC(Programming Package for Multiphase Multicomponent Chemical Equilibria Calcuation)contains four generalized programs for the multiphase and multicomponent chemical equilibrium calculation based upon the principle of minimizing the Gibb's free energy of the whole system It can be used not only for the ideal system,but also for the nonideal system with auto- matically choosing the best method,and is possible to link with a series of well-known activity calculation equations,e.g.,UNIFAC,UNIQUAC,NR- TL,and Wilson equation There are also possibilities of affiliating with some other system to intensify its own functions and act as a very strong supporter for larger systems.It includes the following functions: 1.Automatical selection of the important independent reaction set in a very complicated system; 2.Automatical balance of independent reactions; 3.Artificial intelligence of selecting the best method for a specific system; 4.Expandable possibilities; 5.More interfaces with practical problems. This paper also presents three complicated metallurgical thermodynamic problems being calculated by using PPEC such as the system containing more than 60 components and dozens of phases,the system of steel desulfurization treatment using Al and Si,the system of chemical deposition of some spe- cies,a new lead refining process development,ete.In addition to the calcu- lation function there are some artificial intelligent functions for the con- venience to serve users,e.g.recommending the most suitable method for any designated system,automatically searching a set of independent reaction equation and finding out the extents of proccess reaction equation,etc.
出处
《化工冶金》
CSCD
北大核心
1989年第2期61-67,共7页
关键词
冶金
化学平衡
计算
复杂体系
Chemical equilibria
Generalized optimization
Thermodynamic calculation
Metallurgical process
