Abstract
ABSTRACTNanochannels modified with stimuli-responsive copolymer brushes offer a smart nanovalve mechanism. The potential application of these special nanovalves is wide-ranging and includes the areas of drug delivery and signal transduction, as well as molecular machines. In this study, molecular dynamics simulations were performed to study nanovalve systems that use thermo-responsive amphiphilic triblock copolymer brushes grafted onto the surface of the nanochannel. Varying the system temperature facilitated the extension/collapse transition of the copolymer brushes, which resulted in the opening/closing of the nanochannels. The results of the investigation of the effect of the grafting density and the composition of the copolymers on the conformational transition behavior showed that the composition of copolymer has a significant influence on the nanovalve system. A remarkable result is the effectiveness of the use of intermediate or relatively low grafting density in obtaining an ideal controlling effect on the nanochannels. Our work provides a fundamental understanding of nanovalves that utilize thermo-responsive copolymers, and guidance for the design of a smart nanochannel.
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