Coarse-grained simulation, surface

The thermodynamic effects of finite size and the kinetic barriers, AG, for the formation of vapor phase have been fully developed [41-46]. Macroscopic thermodynamics predicts that when we have two non-polar surfaces immersed in a liquid and bring them closer together, at a critical distance, Dc, liquid will be replaced by vapor (2). Due to a considerable free energy barrier for confinement-induced evaporation, however, the liquid phase is often metastable below Dc [36, 41, 43, 45, 47]. Coarse-grained simulations confirmed [45] macroscopic scaling predictions [48, 49] ... 

In this section, we present the coarse-grained simulation work of protein adsorption, interfacial behavior, and surface wettability. 

Some coarse-grained simulation methods have been estabHshed to understand the structure—property relationships of material interfaces, which include BD, dissipative particle dynamics (DPD), and CGMD based on MARTINI force field, and many efforts have focused on the protein adsorption, interfacial behavior and surface wettabihty, and so on. 

Quan X, DongJ, ZhouJ Effect of topology of hydrophobic surfaces on their wetting states by coarse-grained simulations, Acta Chim Sin 72 1075—1078, 2014. 

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