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Origins of entropy change for the amphiphilic molecule in micellization: a molecular dynamics study
Guokui Liu1, Yaoyao Wei1, Fengfeng Gao2
1Key Lab of Colloid and Interface Chemistry, Shandong University, Jinan 250100, China. shilingyuan@sdu.edu.cn.
Abstract:
The micellization of amphiphilic molecules is an important phenomenon in the natural world. However, the origin of entropy change during micellization is still unclear. Molecular dynamics simulation was applied to study configurational entropy change of amphiphilic molecules in micellization. The entropy change of polar heads, hydrophobic chains, vibration, translation and rotation are discussed. Analyses provide a clear physical picture of the entropy increase in micellization, and thus foundations for further study.
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