Specific features of the localization of coumarin and xanthene dye molecules in ionic surfactant micelles of sodium n-dodecyl sulphate and cetyltrimethylammonium bromide have been studied by molecular dynamics simulation. It is shown that the change in the microenvironment of a dye molecule in a micelle after its protonation (deprotonation) depends on both the nature of such a dye and the sign of the micelle charge. It was established that the presence of a long hydrocarbon chain in a dye molecule does not prevent its movement during (de)protonation.

中文翻译：

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疏水化香豆素和呫吨酸碱指示剂在胶束中的定位

通过分子动力学模拟研究了香豆素和呫吨染料分子在正十二烷基硫酸钠和十六烷基三甲基溴化铵离子表面活性剂胶束中的定位特性。结果表明，胶束中染料分子在其质子化（去质子化）后的微环境变化取决于这种染料的性质和胶束电荷的符号。已经确定，染料分子中长烃链的存在不会阻止其在（去）质子化过程中的运动。