噻吩-正辛烷-二甲基亚砜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 THIOPHENE-OCTANE-DIMETHYL SULFOXIDE

作　　者：米冠杰[1] 张文林[1] 陈娜[1] 侯凯湖[1] 

机构地区：[1]河北工业大学化工学院,天津300130

出　　处：《石油炼制与化工》2006年第10期32-35,共4页Petroleum Processing and Petrochemicals

基　　金：天津市自然科学基金(043613211)。

摘　　要：利用气相色谱法测定了常压下,40,50,60℃时噻吩-正辛烷-二甲基亚砜体系的液-液平衡数据,采用标准曲线法定量。用Hand公式对所得相平衡数据进行了关联,获得了可供工业连续萃取过程设计使用的关联式。用NRTL模型对所测数据进行了热力学关联,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,其中噻吩在萃余相中的质量分数的平均绝对偏差小于0．005 0。Quantitative liquid-liquid equilibrium （LLE）data of a ternary system, thiophene- octane-dimethyl sulfoxide, at 40, 50, 60 ℃ and atmospheric pressure were determined by gas chromatography using standard curve method. The LLE data were correlated by Hand equation to obtain a practical formula for the design of industrial continuous extraction process. NRTL model was also used to correlate the LLE data, and the model parameters were determined by the simplex optimization method and imitative Newton method with an objective function of minimizing mole fraction deviation. The rule of thermodynamic equilibrium, minimum Gibbs free energy in an equilibrium closed system, was used to deal with the multi-root in correlation. The predicted data were in accordance with the experimental data,e, g. an average absolute deviation of thiophene mass fraction in raffinate was less than 0.0050.

关 键 词：噻吩 辛烷 二甲基亚砜 液液平衡 测量 模型 

分 类 号：O642.42[理学—物理化学]