Dynamic behaviors of interfacial water on the self-assembly monolayer (SAM) heterogeneous surface

Autor:	Xinwen Ou, Ranran Tian, Meng-Bo Luo, Jingyuan Li, Guorong Hu
Rok vydání:	2020
Předmět:	010304 chemical physics Chemistry Hydrogen bond Diffusion General Physics and Astronomy 010402 general chemistry 01 natural sciences 0104 chemical sciences Molecular dynamics Chemical engineering 0103 physical sciences Monolayer Molecule Bound water Physical and Theoretical Chemistry
Zdroj:	The Journal of Chemical Physics. 153:124705
ISSN:	1089-7690 0021-9606
DOI:	10.1063/5.0019135
Popis:	Dynamic behaviors of water molecules near the surface with mixed hydrophobic and hydrophilic areas are studied by molecular dynamics simulation. More specifically, the diffusion coefficient and hydrogen bond lifetime of interfacial water on the self-assembly monolayer composed of hydrophobic and hydrophilic groups and their dependence on the mixing ratio are studied. The diffusion dramatically slows down, and the hydrogen bond lifetime considerably increases when a few hydrophilic groups are added to the hydrophobic surface. When the percentage of hydrophilic groups increases to 25%, the behavior of interfacial water is similar to the case of the pure hydrophilic surface. The sensitivity to the hydrophilic group can be attributed to the fact that the grafted hydrophilic groups can not only retard the directly bound water molecules but also affect indirectly bound water by stabilizing hydrogen bonds among interfacial water molecules.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::58b94e755743add3b558588eeabb933d https://doi.org/10.1063/5.0019135 Zobrazit plný text záznamu