【摘要】 利用平衡釜法测定了常压下,40、50、60℃时噻吩-正辛烷-环丁砜体系的液-液平衡数据。用Hand公式对所得相平衡数据进行关联,获得了噻吩在萃取相和萃余相中的分配关系和可供工业上设计连续萃取过程使用的关联式。用NRTL模型对所测数据进行热力学关联,建立了液-液平衡模型,获得了液相非理想性的校正。关联时采用敞开体系的热力学平衡准则——混合吉布斯自由能最小来解决其多解问题。用单纯形和拟牛顿优化法,选用摩尔分数目标函数求出了相应的模型参数。用该模型对该体系进行计算,计算值与实测值的平均偏差较小,其中噻吩质量分数的平均偏差小于0.5%。更多还原

【Abstract】 Liquid-liquid equilibrium(LLE) data of thiophene-octane-sulfolane of ternary system at 40,50,60℃ and atmospheric pressure were determined by using the method of equilibrium kettle.The equilibrium data were described by Hand equation.The distribute relation of thiophene between extract and raffinate and a practical formula of equilibrium data for industrial extraction were obtained.NRTL model was also used to correlate and calculate LLE data of system,and model parameters were determined by using the simplex optimization method and imitative Newton method with a minimized objective function of mole fraction deviation.The rule of thermodynamic equilibrium was used to deal with multi-roots problem in correlating process.Agreement between predicted and experimental data was satisfactory.The average deviation of thiophene mass fraction is about 0.5%.更多还原