A Model of Polymeric Nanopropulsion Engine
A Model of Polymeric Nanopropulsion Engine
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DOI：
10.1021/ma0706125
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发表时间：
2007-06
期刊：
影响因子：
5.5
通讯作者：
J. Carrillo;Junhwan Jeon;A. Dobrynin
中科院分区：
文献类型：
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作者：
J. Carrillo;Junhwan Jeon;A. Dobrynin
我们已经进行了分子动力学模拟，并开发了一个纳米推进发动机的缩放模型。该发动机由一个类似于催化剂的小孔组成，催化剂位于喷嘴的封闭端。喷嘴浸入作为聚合反应“燃料”的单体溶液中。该发动机可以被认为是喷射推进发动机的类似物，其在溶液中分泌聚合物并利用聚合物粘弹性进行运动。使用缩放分析，我们已经建立了喷嘴的速度是成比例的链的聚合速率与比例系数由喷嘴的几何形状，喷嘴的摩擦系数，和喷嘴内的聚合物链的动力学。分子动力学模拟的结果与标度模型的预测非常吻合。
We have performed molecular dynamics simulations and developed a scaling model of a nanopropulsion engine. The engine consists of a nozzlelike pore with catalytic sites located at the closed end of the nozzle. The nozzle is immersed in a solution of monomers that serves as a "fuel" for the polymerization reaction. The engine can be thought of as an analogue of the jet propulsion engine that secretes polymers in a solution and utilizes polymer viscoelasticity for its motion. Using scaling analysis, we have established that the nozzle velocity is proportional to the chain's polymerization rate with the proportionality coefficient being determined by the nozzle geometry, the nozzle friction coefficient, and the dynamics of the polymer chains inside the nozzle. The results of the molecular dynamics simulations are in remarkable agreement with the predictions of the scaling model.