苯酚原位催化加氢过程的热力学研究  

THERMODYNAMIC ANALYSIS ON IN-SITU HYDROGENATION OF PHENOL

作　　者：谢佳屹 乔俊香 郑奎 张士秋 Xie Jiayi;Qiao Junxiang;Zheng Kui;Zhang Shiqiu(School of Environment and Resource,Southwest University of Science and Technology,621000,Mianyang,Sichuan,China;Analytical and Testing Center,Southwest University of Science and Technology,621000,Mianyang,Sichuan,China;School of Chemistry,Chemical Engineering and Materials Science,Shandong Normal University,250014,Jinan,China;National&Local Joint Engineering Research Center of Biomass Resource Utilization,Nankai University,300350,Tianjin,China)

机构地区：[1]西南科技大学环境与资源学院,四川绵阳621000 [2]西南科技大学分析测试中心,四川绵阳621000 [3]山东师范大学化学化工与材料科学学院,济南250014 [4]南开大学生物质资源化利用国家地方联合工程研究中心,天津300350

出　　处：《山东师范大学学报（自然科学版）》2023年第1期32-41,共10页Journal of Shandong Normal University(Natural Science)

基　　金：山东省自然科学基金资助项目(ZR2021QB216);大学生创新创业训练计划资助项目(202210619013);西南科技大学博士基金资助项目(21ZX7131)。

摘　　要：生物质能是环境友好的可再生能源之一,可为解决化石能源超量消耗带来的能源危机与环境问题提供重要支撑.生物油作为生物质能典型代表之一,具有替代石油的巨大潜力.然而,生物油因理化性质较差而无法直接被工业利用,需进行催化加氢以提升品质.本文以苯酚为生物油模型化合物,基于异丙醇-水液相重整反应体系,耦合液相催化加氢反应,选用Aspen plus软件对全反应过程进行热力学计算.结果表明:随着反应温度的增加,异丙酸-水液相重整产氢反应(APRI)和苯酚-水液相重整产氢反应.(APRP)两个反应均为吸热反应,其吉布斯自由能均减少;较高的反应温度可降低APRI和APRP的吉布斯自由能,使其自发进行;在低温下,APRI在热力学上是有利的,在温度超过340℃时,反应体系更利于APRI.Biomass energy is one of the environment-friendly renewable energies,which can solve the energy crisis and environmental problems caused by the excessive consumption of fossil energies.As one of the typical representatives of biomass energy,bio-oil has great potential to replace petroleum.However,due to the poor physicochemical properties of bio-oil,it cannot be directly used in modern industry,which should be catalytic hydrogenated to improve its quality.In this paper,phenol was used as the model compound of bio-oil,based on isopropyl alcohol-water reforming system and the coupled liquid phase catalytic hydrogenation reaction,and Aspen plus software was used to calculate the thermodynamics of the whole reaction.The results show that both APRI and APRP are endothermic reactions and their Gibbs free energy decreases with the increase of reaction temperature.Higher reaction temperature can reduce the Gibbs free energy of APRI and APRP and make them proceed spontaneously.APRI is thermodynamically favorable at low temperatures,and the reaction system is more favorable to APRI at temperatures above 340℃.

关 键 词：苯酚 原位催化加氢 热力学计算 异丙醇 

分 类 号：TQ2[化学工程—有机化工]