Gibbs反应器模型及其计算机实现.pdfVIP

24 6 动 力 工 程 Vol. 24 No. 6 2004 12 POWER ENGINEERING Dec. 2004 : 1000-6761( 2004) 06-0902-06 Gi s 黄　河, 　李　政, 　倪维斗 ( , 100084) : Gi s 反应器属于理论型设备, 主要用于计算静态化学 衡时混合物的组成及相关物性。 由于其实现过程中牵涉大量迭代工作, 故只能在计算机上进行。文中从质量 衡, 能量 衡和 Gi s 自由能三 个方面对Gi s 反应器的原理进行推导和分析, 并解决在实际求解过程中的相关 数学问题, 对非线性方程组的求解和算法优化做出进 一步讨论, 揭示完整的计算机实现过程。表1 参8 : 动力机械工程; Gi s 反应器; 化学 衡; 仿真; 非线性方程组; 迭代; Jaco ian 矩阵 : T K01: A The Gibbs Reactor Model and It s Realizat ion on t he Computer , , - H UA N G H e L I Zheng N I Wei dou ( , , 100084, ) Department of Thermal Engineering T singhua University Beijing China Abstract: The Gi s reactor is a virtual device, w hich is used to compute the components ratio and related characteristics of the mixture w hen static chemical alance is reached T he simulation can only. e per- formed on the computer, since its realization involves a large amount of iterative w orks. T he principle of the Gi s reactor is developed and analyzed ased on the mass alance, the energy alance and the mini- mum Gi s free energy . T he related mathematical pro lems arose from practice have een solved. Further - discussion on the solving of non linear equations and algorithm optimization is proposed to reveal the w hole realization process on the computer. Ta le 1 and refs 8. Key words: pow er and mechanical engineering; Gi s reactor; chemical alance; simulation; non-linear e- ; ; quations iteration Jaco ian , Gi s 1 , - , , Gi