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采用MOSCED模型,计算得到TiCl4-CH2Cl2二元系中TiCl4和CH2Cl2的无限稀释活度系数分别为1.151和1.114。并根据此数值,采用Wilson模型,计算了TiCl4-CH2Cl2二元系的活度系数。结果表明,TiCl4的活度系数随混合物中TiCl4的摩尔分数的增大而减小,CH2Cl2的活度系数随混合物中TiCl4的摩尔分数的增大而增大。采用试差法根据相平衡原理及TiCl4-CH2Cl2二元系的活度系数计算得到了TiCl4-CH2Cl2二元系的汽液平衡数据,并绘制了TiCl4-CH2Cl2二元系的T-x-y图和y-x图,其误差为10%左右。TiCl4-CH2Cl2二元系的汽液平衡数据表明,TiCl4和CH2Cl2混合物的初步分离可以通过蒸馏实现,而要实现深度分离则需采用精馏的方法,分离所需的理论塔板数为4。TiCl4-CH2Cl2二元系的无限稀释活度系数和拉曼光谱表明,TiCl4和CH2Cl2混合不形成共沸物,混合过程中没有新化合物生成,只是简单的溶解。
The MOSCED model was used to calculate the infinite dilution activity coefficients of TiCl4 and CH2Cl2 in TiCl4-CH2Cl2 binary system were 1.151 and 1.114 respectively. Based on this value, the activity coefficient of TiCl4-CH2Cl2 binary system was calculated by Wilson’s model. The results show that the activity coefficient of TiCl4 decreases with the increase of the mole fraction of TiCl4 in the mixture, and the activity coefficient of CH2Cl2 increases with the mole fraction of TiCl4 in the mixture. According to the principle of phase equilibrium and the activity coefficient of TiCl4-CH2Cl2 binary system, the vapor-liquid equilibrium data of TiCl4-CH2Cl2 binary system were obtained by trial and error method. The Txy and TiX diagrams of TiCl4-CH2Cl2 binary system were drawn, The error is about 10%. The vapor-liquid equilibrium data for the TiCl4-CH2Cl2 binary system indicate that the initial separation of the mixture of TiCl4 and CH2Cl2 can be achieved by distillation, whereas for deep separation the rectification is required and the number of theoretical plates required for the separation is 4. The infinite dilution activity coefficient and Raman spectrum of TiCl4-CH2Cl2 binary system indicate that TiCl4 and CH2Cl2 do not form an azeotrope when mixed, and no new compounds are formed during the mixing process, but only simple dissolution.