苯酚+环己酮固液平衡的热力学计算  

Thermodynamics Calculations of Solid-Liquid Equilibrium in Phenol+Cyclohexanone System

作　　者：罗三来[1] 王秀芳[1] 谭载友[1] 

机构地区：[1]广东药学院药科学院,广州510006

出　　处：《化学通报》2010年第6期524-529,共6页Chemistry

基　　金：国家自然科学基金项目(50802017)资助

摘　　要：对苯酚+环己酮低温固液平衡体系,直接由相图和基本热力学数据,计算体系热力学性质。使用Gibbs-Duhem方程和四参量GE方程,在220.00～241.00K区间,计算了8个温度的两组元活度系数和GE方程,在241.00K,x2=0.5、GE=783.69J/mol,SE=97.11/(mol.K),HE=24186.69J/mol。241.00K相合熔点化合物的离解平衡ΔrGm=1982.93J/mol,ΔrHm=5753.241J/mol,ΔrSm=15.65J/(mol.K)。体系偏离于规则溶液模型。在化合物存在相区,离解反应的反应焓变和熵变均可视之为常量。液相区不会存在稳定的化合物。By using four parameter G^E equation and Gibbs-Duheme equation,the activity coefficient and G^E equation were calculated at eight temperatures for phenol ＋ cyclohexanone system.At 241.00K,x2 = 0.5,G^E = 783.69J /mol,SE = 97.11J /（mol.K）,HE = 24186.69J /mol.For the congruently addition compound dissociation equilibrium at 241K,ΔrGm = 1982.93J /mol,ΔrHm = 5753.241J /mol,ΔrSm = 15.65J /（mol.K）.Phenol ＋ cyclohexanone system can not be treated as regular solution,at x2 = 0.123 ～ 0.851 region ΔrHm ΔrSm were counted for the congruently melting addition compound dissociation reaction,which almost not change,so the compound is not stable in liquid phase.

关 键 词：固液平衡 活度系数 超额吉布斯自由能 相合熔点化合物 苯酚+环己酮 

分 类 号：O642.42[理学—物理化学]