Structural behavior of an anomalous fluid under hydrophobic, hydrophilic and heterogeneous confinement

8th Brazilian Meeting on Simulational Physics

Barbosa, Rafael De C.^1 ; Krott, Leandro B.^2 ; Barbosa, Marcia C.^1

Instituto de Física, Universidade Federal Do Rio Grande Do sul, Caixa Postal 15051, Porto Alegre

RS

91501-970, Brazil^1

Centro Araranguá, Universidade Federal de Santa Catarina, Rua Pedro João Pereira, 150, Araranguá

SC

88900-000, Brazil^2

关键词: Amphiphilics;    Contact layers;    Length scale;    Liquid water;    Molecular dynamics simulations;    Parallel plates;    Structural anomaly;    Structural behaviors;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/686/1/012004/pdf
DOI  :  10.1088/1742-6596/686/1/012004

来源: IOP

【 摘 要 】

We perform molecular dynamics simulations of an anomalous fluid confined between parallel plates. The effects of the confinement on the structural behavior of the fluid when the plates are hydrophobic, hydrophilic and amphiphilic were investigate. The anomalous fluid was modeled using a two length scales potential, that exhibits density, diffusion and structural anomalies like observed in liquid water. We show that this fluid at the contact layer exhibits the formation of a solid/amorphous phase for temperatures at which the bulk system is liquid.