可用于乳化炸药的Gemini表面活性剂水溶液聚集形态模拟研究  

Simulation on Aggregation Morphology of Gemini Surfactants for Emulsion Explosive in Aqueous Solution

作　　者：杜栓丽[1] 王晶禹[1] 何爽[1] 朱佳平[1] 任君[1] 胡志勇[1] 曹端林[1] 

机构地区：[1]中北大学化工与环境学院,山西太原030051

出　　处：《含能材料》2011年第1期28-32,共5页Chinese Journal of Energetic Materials

基　　金：山西省科技攻关项目(项目编号20100321079-01)

摘　　要：利用Material Studio 4.3中的颗粒耗散动力学(DPD)方法对可用于乳化炸药的不同结构Gemini表面活性剂在水中的聚集体形态进行了模拟。模拟结果表明:联接基的结构对Gemini表面活性剂聚集体形态影响较大。随着表面活性剂浓度的增加,聚集体由球形向棒状再向层状转变;随疏水链长度增加,容易形成大而致密的胶束。联接基的结构对Gemini表面活性剂聚集体形态影响较大。当疏水链较短时,两聚Gemini表面活性剂形成球形胶束的能力高于三聚Gemini表面活性剂;当疏水链较长时,三聚Gemini表面活性剂更易形成棒状胶束,具有更高的形成大胶团的能力。Aggregation morphology in aqueous solution on Gemini surfactants usable for emulsion explosive was simulated using the dissipative particles dynamics （DPD） of Material Studio 4.3. Results show that the effect of the structure of spacer group on the aggregation morphology of Gemini surfactants was obvious. The aggregation firstly was transformed from spherical micelles to rod-like micelles,then to lamellar with the increase of the concentration of surfactants. The large and compact micelle was easy to be formed as the increase of the length of hydrophobic carbon chain. When the length of carbon chain was shortened, the trimeric Gemini surfactant was more difficult to form micelles than dimeric Gemini surfactants. When the length of carbon chain was stretched,the trimeric Gemini surfactants was easy to form the rod-like micelles as well as the larger size micelles.

关 键 词：物理化学 颗粒耗散动力学(DPD) GEMINI表面活性剂 聚集体 形态 模拟 

分 类 号：TQ560.1[化学工程—炸药化工]