A series of NVT constant MD calculations (T = 298.15 K) show that liquid ethanol molecules on a charged hydroxylated silicon dioxide (SiO2) surface form molecular clusters via hydrogen bonds with an anisotropic shape along the axis normal to the solid surface. The features of ethanol clusters induced by positively charged SiO2 surface agree well with those of ethanol surface macroclusters.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces
- Condensed Matter Physics