A Simulation of Adsorption of Ampholytic Diblock Copolymers Confined in the Metal Crystal

Yang Yang, Bosen Chai, Peng Li, Yuxin Cui
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Abstract

The diblock copolymer chain was flexible in the simulation system. The copolymer chain adsorption on the face center cubic metal crystal surface was researched by MD simulation. The adsorption density has been distinguished by the ratio of A-block beads to B-block beads. The counterions were added to the system which carry the opposite charges to B-block beads. The results show that the strongly binding between B-block and counterions, formed clusters. The copolymer is adsorbed on the bottom surface, which formed a copolymer brush.
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双嵌段共聚物在金属晶体中的吸附模拟
在仿真系统中,双嵌段共聚物链具有柔性。通过MD模拟研究了共聚物链在面中心立方金属晶体表面的吸附。吸附密度由a -嵌段微球与b -嵌段微球的比例来区分。反离子被加入到系统中,它们携带相反的电荷到b块珠上。结果表明,b -嵌段与反离子之间的强烈结合形成了簇。共聚物被吸附在底面,形成共聚物刷。
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