Nuclear Science and Techniques

《核技术》(英文版) ISSN 1001-8042 CN 31-1559/TL     2019 Impact factor 1.556

Nuclear Science and Techniques ›› 2018, Vol. 29 ›› Issue (2): 18 doi: 10.1007/s41365-018-0364-6


Wetting behaviors of methanol, ethanol, and propanol on hydroxylated SiO2 substrate

Xue-Chuan Nie 1,2, Bo Zhou 3, Chun-Lei Wang 1, Hai-Ping Fang 1   

  1. 1 Division of Interfacial Water and Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China
    2 University of Chinese Academy of Sciences, Beijing 100049, China
    3 School of Electronic Engineering, Chengdu Technological University, Chengdu 611730, China
  • Contact: Chun-Lei Wang
  • Supported by:

    This study was supported by the National Natural Science Foundation of China (Nos. U1532260, 11674345, and 11504032), Key Research Program of Chinese Academy of Sciences (Nos. KJZD-EW-M03 and QYZDJ-SSW-SLH019), Youth Innovation Promotion Association CAS (Grant Number 2014233), Shanghai Supercomputer Center of China, Computer Network Information Center of Chinese Academy of Sciences, and Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase).

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Xue-Chuan Nie, Bo Zhou, Chun-Lei Wang, Hai-Ping Fang. Wetting behaviors of methanol, ethanol, and propanol on hydroxylated SiO2 substrate.Nuclear Science and Techniques, 2018, 29(2): 18     doi: 10.1007/s41365-018-0364-6


Water molecules could form a liquid droplet on the water monolayer on a specific solid surface, which has been referred to as ‘‘ordered water monolayer that does not completely wet water’’ at room temperature. In contrast to the water molecules, the family of alcohol molecules has the same OH polar head and various lengths of their hydrophobic nonpolar tail; the length of the hydrophobic tail can affect the hydrophobic effect. In this study, using molecular dynamics simulations, we investigated the wetting behaviors of methanol, ethanol, and propanol molecules adsorbed on a SiO2 surface. The results showed that the methanol, ethanol, and propanol molecules could form an ordered monolayer on the SiO2 surface and a droplet on top of this monolayer, with different contact angles. The differences in the contact angles were attributed to the differences in the interactions between the alcohol monolayer and droplet.

Key words: Wetting behavior, Alcohol, SiO2, Molecular dynamics simulation