山梨醇与对甲基苯甲醛合成山梨醇缩醛反应的热力学分析  

Thermodynamic analysis of sorbitol acetalation reaction with paramethylbenzaldehyde to nucleator

作　　者：王万林[1] 史建公 王桂荣[1] 

机构地区：[1]河北北方学院应用化学研究所,河北张家口075000 [2]中石化催化剂北京燕山分公司,北京102400

出　　处：《计算机与应用化学》2011年第9期1153-1157,共5页Computers and Applied Chemistry

基　　金：河北省科技攻关项目(06215125);张家口市科学技术研究与发展计划(No0911008B-5)

摘　　要：分析和计算山梨醇与对甲基苯甲醛合成山梨醇缩醛反应的热力学对于开发该反应的催化剂和反应工艺具有重要意义。首次利用Benson法计算了山梨醇一缩对甲基苯甲醛(MPBS)、山梨醇二缩对甲基苯甲醛(DPBS)和山梨醇三缩对甲基苯甲醛(TPBS)的热力学参数,建立了MPBS、DPBS和TPBS的热容与温度的关系方程。在此基础上,利用Kirchhoff方程,分别建立了山梨醇与对甲基苯甲醛缩合为MPBS、DPBS和TPBS 3个反应的焓变与温度的关系方程,计算表明在300 K～1000 K温度范围内,山梨醇与对甲基苯甲醛缩合生成MPBS、DPBS和TPBS的3个反应均为放热反应。Dibenzylidene sorbitol acetals（＂DBS＂）, subistituted DBS, such as can be made with alkyl substituted aromatic aldehydes, and related acetals have found utility as nucleating agents, clarifying agents, gelling agents, processing aids, and strength modifiers in polyolefin resins, polyester resins, deodorant, and antiperspirant compositions; hydrocarbon fuels; waste liquids, especially those containing organic impurities ;and paint. How to analyse and calculate the reaction thermodynamic data of sorbitol acetalation with aromatic aldehydes has a very important role in determining the reaction conditions and selecting the catalyst. But so far, the thermodynamics for synthesizing sorbitol acetals from sorbitol and aromatic aldehydes have not been reported, because of the lack of thermodynamic data of sorbitol acetals. Thermodynamic parameters of monoparabenzylidenesorbitol （MPBS）, diparabenzylidenesorbitol（DPBS）, and triparabenzylidenesorbitol（TPBS） were calculated by Benson method firstly in the article, the relationship equation between heat capacity and temperature of MPBS, DPBS and TPBS were established respectively. Meanwhile, on the basis of above data and equations, the fomulas between the reaction enthalpy changes and temperature ofMPBS, DPBS and TPBS synthesized by sorbitol and benzaldehyde were gained according to Kirchhoff＇s law. The calculation results indicated that the above three reactions were all exothermic within the range of 300 K-1000 K.

关 键 词：热力学 成核剂:山梨醇缩醛 山梨醇 对甲基苯甲醛 

分 类 号：O625.1[理学—有机化学]