磺化度对十二醇聚氧乙烯醚磺酸钠/油/水界面层影响的动力学模拟  

Dynamic Simulation of the Effect of Sulfonation Degree on Sodium Alcohol Ethoxylated-Sulfonate/Oil/Water Interfacial Layer

作　　者：何秀娟 沈之芹 虞辰敏 金军 沙鸥 李应成 He Xiujuan;Shen Zhiqin;Yu Chenmin;Jin Jun;Sha Ou;Li Yingcheng(Sinopec Key Laboratory of Surfactant for Enhanced Oil Recovery,Sinopec Shanghai Research Institute of Petrochemical Technology Company Limited,Shanghai 201208,China)

机构地区：[1]中石化(上海)石油化工研究院有限公司中国石化三采用表面活性剂重点实验室,上海201208

出　　处：《化学世界》2023年第4期272-277,共6页Chemical World

基　　金：国家科技重大专项(No.2016ZX05017005-007)资助项目。

摘　　要：采用粗粒化分子动力学方法研究了十二醇聚氧乙烯醚磺酸钠(AES)在油水界面的微观结构,分析了十二醇聚氧乙烯醚(AEO)质量分数的影响。AES/AEO复合体系中,当磺化度≥90%时,AEO以单分子分散在AES之间,不影响油水界面层厚度和界面层中油水的分布;磺化度降至80%时,AEO分子间出现零星的聚集,界面层厚度略有降低,但界面层中水和油的体积不变;磺化度降低到65%及以下,AEO分子间聚集,以分子团簇分散在AES之间,界面层厚度和界面层中水分子的体积分数显著降低,亲水亲油平衡性被破坏。The structure of sodium alcohol ethoxylated-sulfonate(AES)at the oil-water interface was investigated by coarse-grained dynamic simulation.The Influence of sulfonation degree of alcohol polyether(AEO)on interfacial structure and properties was analyzed.In AES/AEO mixture,when the sulfonation degree is above 90%,AEO molecules were uniformly distributed in the surface area in such a way that they were far from each other,which does not affect the thickness and properties of oil/water interface.As the sulfonation degree decreased to 80%,there was a sporadic aggregation of AEO and the thickness of interfacial layer decreased slightly,but the content of water and oil in the interfacial layer remained.As the sulfonation degree further declined to 65%or even lower,AEO molecules aggregated significantly,the interface thickness was much thinner,and the volume fraction of water molecules in the interfacial layer reduced sharply,leading to the break of the hydrophilic hydrophobic balance.

关 键 词：十二醇聚氧乙烯醚磺酸钠 十二醇聚氧乙烯醚 磺化度 油/水界面 粗粒化模拟 

分 类 号：O647[理学—物理化学]