摘要
研究并建立了网络化的复杂化学平衡计算系统,可以进行复杂化学反应平衡组成计算以及用于分析温度、压力对平衡组成的影响。系统不但具有多种平衡组成计算模式和三种新型通用有效的计算方法,而且具有多样化的结果显示方式,能够直接对计算结果进行评价。经过多种复杂体系的计算比较,提出了算法选用的建议。
The computation system of complex chemical equilibrium based on web was studied and established in this paper. Using this system, can compute the composition of complex chemical equilibrium and analyze the composition how to change with temperature and pressure. There were different mode of computation and three universal algorithms. The display mode of results also was varied. And the evaluation of results can be given directly. By computation and comparison, some advice about algorithm selection was given.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2003年第6期867-871,共5页
Computers and Applied Chemistry
