【摘 要】
：
With scaling theory and molecular dynamics simulations,we study the function of nanopores which are decorated with polymer brushes as selective and switchab
【机 构】
：
厦门大学物理系,厦门大学软物质研究院
【出 处】
：
第十一届全国软物质与生命物质物理学术会议
论文部分内容阅读
With scaling theory and molecular dynamics simulations,we study the function of nanopores which are decorated with polymer brushes as selective and switchable channels.In good solvent,the brush is swollen,the nanopore closed and acting as a semipermeable gate,which grants passage for small molecules,while blocking the diffusive motion of bulky macromolecules or nanoparticles.The addition of a co-solvent induces a collapse transition of the brush,opening the channel for large particles.The molecular dynamics simulations quantify the conditions under which the gate is closed or open,as well as the diffusive fluxes of nanoparticles of different diameters.Simulations of particle inclusion yield free energy profiles and estimates for the diffusive fluxes when the probabilities are prohibitively low for direct simulations.Scaling theory reveals the parameter ranges in which the nanopore is able to deliver its functionality as a switchable gate.
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