SIMULATING THE SELF-ASSEMBLY OF GEMINI (DIMERIC) SURFACTANTS
SIMULATING THE SELF-ASSEMBLY OF GEMINI (DIMERIC) SURFACTANTS
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DOI：
10.1126/science.266.5183.254
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发表时间：
1994-10-14
期刊：
影响因子：
56.9
通讯作者：
ZANA, R
中科院分区：
文献类型：
--
作者：
KARABORNI, S;ESSELINK, K;ZANA, R
众所周知，表面活性剂分子形成的聚集体的形态和动力学会对生物学、家庭清洁和土壤清理的性能产生强烈影响。分子动力学模拟用于研究一类表面活性剂（双子或二聚表面活性剂）的形态和动力学，它们在多种工业应用中具有潜在的重要性。模拟结果表明，这些表面活性剂形成的结构和动态特性与单链表面活性剂截然不同。在相同的重量分数下，单链表面活性剂形成球形胶束，而双子表面活性剂（其两个头基通过短疏水间隔基偶联）形成线状胶束。不同表面活性剂浓度下的模拟表明形成了不同的结构。对双子表面活性剂意想不到的粘度行为的另一种解释。
The morphologies and dynamics of aggregates formed by surfactant molecules are known to influence strongly performance properties spanning biology, household cleaning, and soil cleanup. Molecular dynamics simulations were used to investigate the morphology and dynamics of a class of surfactants, the gemini or dimeric surfactants, that are of potential importance in several industrial applications. Simulation results show that these surfactants form structures and have dynamic properties that are drastically different from those of single-chain surfactants. At the same weight fraction, single-chain surfactants form spherical micelles whereas gemini surfactants, whose two head groups are coupled by a short hydrophobic spacer, form thread-like micelles. Simulations at different surfactant concentrations indicate the formation of various structures, suggesting. an alternative explanation for the unexpected viscosity behavior of gemini surfactants.