正己烷耦合甲醇芳构化反应热力学计算

以抽余油中代表性化合物正己烷为模型化合物，进行了正己烷耦合甲醇芳构化反应热力学计算。结果表明：正己烷耦合甲醇芳构化反应体系中，甲醇芳构化和芳烃甲基化反应是放热反应，而正己烷芳构化反应为吸热反应，反应中存在热量耦合互补；甲醇芳构化反应较正己烷芳构化反应更易发生，甲醇及正己烷裂解反应，正己烷加氢生成戊烯的反应均不能自发进行，甲醇可自发生成乙烯和丙烯；升高反应温度可促进初始C—C的生成。

Thermodynamic calculation of aromatics reaction of n-hexane coupled methanol

Thermodynamic calculation of aromatics reaction of n-hexane coupled methanol was investigated with n-hexane as model compound. The results showed that in aromatics reaction of n-hexane coupled methanol，the reaction of methanol aromatization and aromatic methylation were exothermic reaction， the n-hexane aromatization reaction was endothermic reaction， thermal coupling and complementation took place in the reaction. The aromatization reaction of methanol was more likely to occur than that of n-hexane， the pyrolysis reaction of methanol and n-hexane ， the hydrogenation reaction of n-hexane to pentene could not occur spontaneously， while methanol could produce ethylene and propylene spontaneously， and the initial C—C increased with the reaction temperature.