催化氧化邻羟基甲苯制备邻羟基苯甲醛的热力学分析  

Thermodynamic analysis of o-hydroxytoluene catalytic oxidation to prepare o-hydroxybenzaldehyde

作　　者：王维洁[1] 佘远斌[1,2] 冯瑛琪[1] 杨柳[1] 

机构地区：[1]北京工业大学绿色化学与精细化工研究所,北京100124 [2]中南民族大学化学与材料科学学院催化材料科学国家民委-教育部共建暨湖北省重点实验室,湖北武汉430074

出　　处：《化工学报》2013年第10期3520-3526,共7页CIESC Journal

基　　金：国家自然科学基金项目(21036009;21276006;21076004);北京市人才强教绿色化工创新团队计划项目(PHR201107104)~~

摘　　要：邻羟基苯甲醛（o-hydroxybenzaldehyde，OHBA）是重要的有机合成中间体，广泛应用于医药工业、农药、食品香料与香精、电镀、石油化工和合成纤维等领域。目前合成邻羟基苯甲醛的方法很多，从原料的角度主要可以分为以邻羟基苯甲醇、邻羟基苯甲酸、苯酚和邻羟基甲苯为原料的合成方法。其中由于邻羟基甲苯廉价易得，Catalytic oxidation of o-hydroxytoluene （ ONT ） is the main process to synthesize o-hydroxybenzaldehyde （OHBA）,but the key problem is how to improve selectivity and yield of target product. In order to make more effective use of resources, the thermodynamic properties of o- hydroxytoluene oxidation were analyzed. The basic thermodynamic data of the reaction products were estimated through several group-contribution methods. According to the basic thermodynamic principles, the relationships between reaction temperature and reaction enthalpy change, reaction Gibbs free energy change, and reaction equilibrium constant were established. The calculation results were as follows： R1 ： △rH298 = -- 158.36 kJ · mo1-1, △rG298 = - 170.93 kJ · mol 1; R2：△rH298 = -- 214. 53 kJ · mo1-1 , △ArG298=-163. 56 kJ · mol-1; R3,△rH298 = --259. 35 kJ · mol 1 △RG298 = -260.27 kJ · mol-1 In the researched reaction temperature range, all the reaction steps were exothermic reactions and could proceed spontaneously, and a higher reaction temperature went against the reaction procedure. The thermodynamic analysis results provided the basic data for research on improving selectivity of target product, and could guide optimizing reaction conditions and commercialization.

关 键 词：邻羟基甲苯 邻羟基苯甲醛 催化氧化 基团贡献法 热力学 

分 类 号：O642.4[理学—物理化学]