丁基硫醚-正辛烷-二甲基亚砜三元体系液液平衡数据的测定与关联

Determination and correlation of liquid-liquid equilibrium data for the ternary system of n-dibutyl sulfide-octane-dimethyl sulfoxide

利用平衡釜法测定了常压下,313.15 K、323.15K、333.15 K时丁基硫醚-正辛烷-二甲基亚砜体系的液液平衡数据.用NRTL模型对所测数据进行了热力学关联,采用液液平衡模型,对液相非理想性进行了校正,关联时采用封闭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了计算,计算值与实测值的平均偏差较小,其中丁基硫醚质量分数的平均偏差小于0.5%.

Liquid-liquid equilibrium（LLE） data of n-dibutyl sulfide-octane-dimethyl sulfoxide of ternary system at 313.15 K,323.15 K,333.15K and atmospheric pressure were determined by using equilibrium kettle.The distribute relation of n-dibutyl sulfide 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 frac-tion 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 n-dibutyl sulfide mass fraction was about 0.5%.