棕榈酸异丙酯合成反应的热力学分析  

Thermodynamic Analysis of Isopropyl Palmitate Synthesis

作　　者：付丽丽[1,2] 蒋登高[1] 

机构地区：[1]郑州大学化工与能源学院,河南郑州450001 [2]河南省产品质量监督检验院,河南郑州450004

出　　处：《高校化学工程学报》2016年第2期398-403,共6页Journal of Chemical Engineering of Chinese Universities

摘　　要：针对＂两步法＂合成棕榈酸异丙酯反应体系,采用Joback基团贡献法、Yoneda基团贡献法及Tyagi方程估算了相关物质的热力学数据,并结合有关文献,计算得到了该反应体系的反应焓变Δ_rH_m^θ、反应熵变Δ_rS_m^θ、反应吉布斯自由能变Δ_rG_m^θ及反应平衡常数K^θ。通过分析该反应热力学性质,结合两步反应的Δ_rG_m^θ数值特点,得到一定条件下酰氯化为吸热反应,单独存在时较难进行,醇解为放热反应,且反应可进行完全。由于两步反应是耦合的,依据近似原则和勒夏特列平衡移动原理,酰氯化反应在适当条件下可正常进行,且反应过程中可促使平衡向正向移动,有助于反应进行完全。Thermodynamics of isopropyl palmitate synthesis via a two-step noncatalytic method including acylation and alcoholysis reactions was studied. The thermophysical properties of palmitic acid, palmitoyl chloride and isopropyl palmitate were calculated by Tyagi equation, Joback method and Yoneda method. Δ_rH_m^θ, Δ_rS_m^θ, Δ_rG_m^θ, and K^θ were estimated and these data were analyzed at different temperatures. The results show that the acylation reaction is endothermic and difficult to achieve separately under standard conditions, while the alcoholysis reaction is exothermic and can be fully preceded separately. Considering the thermodynamics of the whole two-step reaction, the acylation reaction can happen following the approximate principle and Le Chatelier′s Principle.

关 键 词：棕榈酸异丙酯 棕榈酸酰氯 基团贡献法 热容 

分 类 号：TQ013.1[化学工程]