Adsorption of amphiphilic graft copolymers in solvents selective for the grafts on a lyophobic surface: a coarse-grained simulation study

被引:12
|
作者
Posel, Zbysek [1 ,2 ]
Svoboda, Martin [2 ,3 ]
Limpouchova, Zuzana [4 ]
Lisal, Martin [2 ,3 ]
Prochazka, Karel [4 ]
机构
[1] Univ JE Purkyne, Fac Sci, Dept Informat, Ceske Mladeze 8, Usti Nad Labem 40096, Czech Republic
[2] Inst Chem Proc Fundamentals CAS, Vvi, Dept Mol & Mesoscale Modelling, Rozvojova 135-1, Prague 16502 6, Prague, Czech Republic
[3] Univ JE Purkyne, Fac Sci, Dept Phys, Ceske Mladeze 8, Usti Nad Labem 40096, Czech Republic
[4] Charles Univ Prague, Fac Sci, Dept Phys & Macromol Chem, Albertov 6, Prague 12843 2, Czech Republic
关键词
DISSIPATIVE PARTICLE DYNAMICS; MONTE-CARLO; MESOSCOPIC SIMULATION; ONE POLYELECTROLYTE; POLYMER ADSORPTION; PLANAR SURFACES; SOLID-SURFACES; DRUG-DELIVERY; BRUSHES; BLOCK;
D O I
10.1039/c7cp08327k
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The sorption of graft copolymers on surfaces attractive only for the backbone and its effect on the conformational behavior of adsorbed/desorbed chains in solvents good for the grafts and poor for the backbone was studied by coarse-grained computer simulations. It was found that the sorption and conformational behavior are very complex and are results of an intricate interplay of solvent quality (polymer-solvent interactions) and solvent strength (polymer-surface vs. solvent-surface interactions). Increasing grafting density and length of grafts protect the backbone against adsorption, but the behavior is non-trivial. A decrease in solvent quality promotes the adsorption, because it lowers the overall solubility, but the backbone collapses and the probability of backbone-surface contacts decreases, which simultaneously hinders the adsorption. The results of simulations are presented in the form of phase diagrams depicting the decisive features of the conformational and sorption behavior.
引用
收藏
页码:6533 / 6547
页数:15
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