title: Origins of entropy change for the amphiphilic molecule in micellization: a molecular dynamics study.
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.
authors.affiliation: Key Lab of Colloid and Interface Chemistry, Shandong University, Jinan 250100, China. shilingyuan@sdu.edu.cn.
authors.forename: Guokui
authors.initials: G
authors.lastname: Liu
authors.affiliation: Key Lab of Colloid and Interface Chemistry, Shandong University, Jinan 250100, China. shilingyuan@sdu.edu.cn.
authors.forename: Yaoyao
authors.initials: Y
authors.lastname: Wei
authors.affiliation: Key Lab of Colloid and Interface Chemistry, Shandong University, Jinan 250100, China. shilingyuan@sdu.edu.cn and Chemistry Engineering Department, Zibo Vocational Institute, Zibo 255314, China.
authors.forename: Fengfeng
authors.initials: F
authors.lastname: Gao
authors.affiliation: Key Lab of Colloid and Interface Chemistry, Shandong University, Jinan 250100, China. shilingyuan@sdu.edu.cn.
authors.forename: Shiling
authors.initials: S
authors.lastname: Yuan
authors.affiliation: Key Lab of Colloid and Interface Chemistry, Shandong University, Jinan 250100, China. shilingyuan@sdu.edu.cn.
authors.forename: Chengbu
authors.initials: C
authors.lastname: Liu