糠醛液相原位加氢反应的热力学适配性分析

糠醛加氢脱氧可以转化为2-甲基呋喃等高值化学品。基于吉布斯自由能最小化原理,选取甲醇、乙醇为供氢剂,应用Aspen Plus软件对"醇-水-糠醛"液相原位加氢体系进行了热力学计算,以分析供氢反应与加氢反应热力学上的适配性。结果表明:制氢反应的适宜温度在500 K以上,而加氢反应更适合在低温下进行;甲醇作为供氢剂与糠醛液相原位加氢有好的适配性。分析反应条件对糠醛液相原位加氢平衡产物的影响发现,反应温度、压力及供氢剂用量都对产物分布有一定的影响,其中当原位供氢不足时易发生糠醛脱羰生成呋喃反应,供氢充足时糠醛加氢的主要产物为2-甲基呋喃和2-甲基四氢呋喃。

Thermodynamic suitability analysis of liquid phase in-situ hydrogenation reaction of furfural

Furfural hydrodeoxygenation can be transformed into high value-added chemicals such as 2-methylfuran.Methanol and ethanol were selected as hydrogen donors,the thermodynamic calculation of“alcohol-water-furfural”liquid phase in-situ hydrogenation system was carried out by using Aspen Plus software to analyze the thermodynamic compatibility between hydrogen supply reaction and hydrogenation reaction based on the minimization principle of Gibbs free energy.The research results show that the suitable temperature for hydrogen production is above 500 K,while the hydrogenation reaction is suitable for low temperature.Methanol as a hydrogen donor has good compatibility with furfural liquid-phase in-situ hydrogenation.The effects of reaction conditions on the equilibrium products of liquid phase in-situ hydrogenation of furfural were analyzed.It is found that the reaction temperature,pressure and the amount of hydrogen donor have some effects on the product distribution.When the in-situ hydrogen supply is insufficient,the decarbonylation of furfural to furan is easy to occur.When the hydrogen supply is sufficient,the main products of furfural hydrogenation are 2-methylfuran and 2-methyltetrahydrofuran.