正辛烷脱氢生成直链烯烃的热力学分析

计算了不同反应条件下正辛烷脱氢生成直链烯烃的主反应热力学平衡参数。计算结果显示，ΔH随温度上升变化不大，正辛烷脱氢反应的平衡常数较小。反应平衡时的产物中，1 辛烯含量最少，顺 4 辛烯次之；产品中绝大部分是双键位于第2到第4碳的烯烃，并且反式辛烯的物质的量大于相应的顺式。温度是一个很敏感的热力学参数，随着温度的升高，正辛烷的平衡转化率呈较大幅度的增加；增加体系压力和氢/烃摩尔比可以明显降低正辛烷的平衡转化率，同时这些参数处于较低值时的影响较大。

A Thermodynamic Analysis on Dehydrogenation of n-Octane to Octenes

Thermodynamic equilibrium parameters of n octane dehydrogenation to octenes were calculated in detail. The calculated results showed that ΔH of n octane dehydrogenation changed little with the increase of temperature and the equilibrium constants were small. In the equilibrium products the amount of 1 octene was the least, the amounts of 2 to 4 octenes were the most, and the mole number of trans octene was more than that of the corresponding cis octene. Reactant temperature was a very sensitive thermodynamic parameter. As temperature increased, the equilibrium conversion of n octane relatively substantially increased. The equilibrium conversion was significantly reduced with the increases of the pressure and the molar ratio of H2 to n octane, at lower values of which the equilibrium conversion was more sensitive.