一种计算热化学平衡态的新算法

介绍了一种计算热化学平衡态的新算法－元素势能法。这种方法采用最小Ｇｉｂｂｓ函数的概念，来计算处于平衡态时的物质组成、绝热火焰温度和产物的热物性，无须考虑各物质间的化学反应类型和相应的平衡常数，对于复杂的燃烧系统，特别对于以碳氢燃料组成的燃烧系统，计算量将大大减少，计算结果与传统方法的结果十分吻合与传统方法相比，这种方法更加精确和高效。

Determination of Thermal-Chemical Equilibrium State

A method is introduced for determining the thermal chemical equilibrium state. By using the concept of minimum Gibbs function, the mol fraction of every species, adiabatic flame temperature, properties of products in the equilibrium can be calculated, regardless of specifying the chemical reaction equations and the corresponding equilibrium constant. The results are successfully compared with those of traditional equilibrium calculation and the proposed method is proved to be more accurate and efficient.