科研之友
微信
新浪微博
Facebook
分享链接
摘要
We use density functional theory to investigate adsorption of liquid mixtures on solid surfaces modified with end-grafted chains. The chains are modelled as freely joined spheres. The fluid molecules are spherical. All spherical species interact via the Lennard-Jones (12-6) potential. The Lennard-Jones (9-3) potential describes interactions of solvent molecules with the substrate. We study the relative excess adsorption isotherms, the structure of surface layer and its composition. The impact of the following parameters on adsorption is discussed: the grafting density, the grafted chain length, interactions of solvent molecules with grafted chains and with the substrate, and the presence of active groups in grafted chains. The theoretical results are consistent with experimental observations.
- 出版日期2016
