Krott Leandro B, Barbosa Marcia C
Instituto de Física, Universidade Federal do Rio Grande do Sul, 91501-970, Porto Alegre, Rio Grande do Sul, Brazil.
Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Jan;89(1):012110. doi: 10.1103/PhysRevE.89.012110. Epub 2014 Jan 9.
Molecular dynamic simulations were employed to study a waterlike model confined between hydrophobic and hydrophilic plates. The phase behavior of this system is obtained for different distances between the plates and particle-plate potentials. For both hydrophobic and hydrophilic walls, there are the formation of layers. Crystallization occurs at lower temperature at the contact layer than at the middle layer. In addition, the melting temperature decreases as the plates become more hydrophobic. Similarly, the temperatures of maximum density and extremum diffusivity decrease with hydrophobicity.
采用分子动力学模拟研究了限制在疏水板和亲水板之间的类水模型。针对板间不同距离和粒子 - 板势，获得了该系统的相行为。对于疏水壁和亲水壁，都会形成层。在接触层比中间层在更低温度下发生结晶。此外，随着板变得更疏水，熔化温度降低。同样，最大密度温度和极值扩散率随疏水性降低。
