NiMo加氢催化剂上1-甲基萘的饱和反应规律

 以NiMo/Al₂O₃为催化剂，1-甲基萘作为加氢反应的模型化合物，在高压加氢微反装置上考察了不同温度、压力下的反应规律，并利用Material studio模拟计算得出加氢反应过程中的反应自由能(ΔG)，得到了1-甲基萘加氢饱和的热力学反应网络和双环芳烃部分加氢生成甲基四氢萘较优的工艺条件。结果表明，在温度360℃、氢分压4.0 MPa下，1-甲基萘加氢饱和生成甲基四氢萘的选择性高达98.3%以上；适当增加氢分压对1-甲基萘加氢生成四氢萘类有利，而过高压力和温度会降低生成四氢萘类的选择性；热力学反应网络表明，生成四氢萘类的反应自由能要远低于进一步生成十氢萘的自由能，同时加氢优先发生在无烷基取代的芳环上，在压力为3.0~4.5 MPa、温度为330~370℃条件下，产物中5-甲基四氢萘与1-甲基四氢萘的质量分数比均接近2。

Hydrogenation Saturation Discipline of 1-Methyl Naphthalene Over Ni-Mo Catalyst

1-Methyl naphthalene(1-MN) was used as model compound to inspect the hydrogenation discipline over NiMo/Al2O3 catalyst in micro-reactor.The reaction free energy(ΔG) was calculated by Material studio simulation software and the thermodynamic reaction network of 1-MN hydrogenation was obtained.The processing conditions,such as temperature and H2 pressure,were investigated to achieve high methyl-tetralin selectivity.It was found that methyl-tetralin selectivity was high as 98.3% in 1-MN hydrogenation at the temperature of 360℃ and the H2 pressure of 4.0 MPa.Moderate H2 pressure favored the hydrogenation of 1-MN to tetralin.Too high H2 pressure and temperature inhibited the reservation of tetralin.ΔG of formation of tetralin was much less than that of further hydrogenation to decalin,and the hydrogenation of 1-MN occured preferentially in its aromatic ring without alkyl substituent.The mass fraction ratio of 5-methyl tetralin to 1-methyl tetralin was about 2 under the H2 pressure of 3.0-4.5 MPa and the temperature of 330-370℃.