Structural properties-adsorption behavior relationship

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. 

In 1997 Esumi and Ueno [1] edited a book on the structure-performance relationships in surfactants, in which the authors stress the need to understand the properties and performance of surfactants at various interfaces such as air-liquid, liquid-liquid and solid-liquid. The book has a few chapters on adsorption theories and some information on the microstructure of nonionic surfactants in solution, some modeling aspects of the association and adsorption of surfactants, and several chapters on the particular behavior of specific surfactants (polymeric, gemini, bile acids, and others) in solution. No significant clear guidelines... 

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