摘要
苯酚氧化羰基化合成碳酸二苯酯反应体系中,副产物水在汽液两相中的分配比例对反应催化性能影响较大。以碳酸二甲酯数据为基准,采用Joback方法估算碳酸二苯酯的临界性质,采用Edmister方程估算碳酸二苯酯的偏心因子,利用SRK状态方程法和Redlich依赖关系混合规则求取汽液两相的逸度系数,进而运用VB.NET计算机语言模拟推算碳酸二苯酯-苯酚-水-反应气(CO、O_2)多元体系在高压下的汽液平衡。结果表明,反应中汽液两相的摩尔比为1∶6.5,说明水基本为液相,因此,影响催化剂的可能性很大,为降低水含量有利于提高催化性能提供了理论根据。
The influence of distribution ratio of co-product water in the gas and liquid is considerable on the synthesis of diphenyl carbonate by oxidative carbonylafion of phenol. The critical properties and eccentric factor of diphenyl carbonate had obtained based on Johack method and Edmister rule. The fugacity coefficient of the gas and liquid had gained by using SRK and Redlich mix rule. The vapor-liquid equilibrium system of diphenyl carbonate-phenol-water-reaction gas （ CO, O2 ） at high pressure was predicated through the VB. NET computer language. The results show that the molar ratio of water in the gas and liquid was 1： 6. 5, meaning that water mainly existed in the liquid in the reaction and it is possible for the properties of catalyst influenced by water. The VLE calculation provided the theory basis for the improvement of the catalytic activities by reducing the water content of the system.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2008年第9期1111-1114,共4页
Computers and Applied Chemistry
基金
国家自然科学基金资助项目(20506018)．
关键词
碳酸二苯酯
苯酚
氧化羰基化
汽液平衡
高压
水
diphenyl carbonate, phenol, oxycarbonylation, VLE, high pressure, water
