纳米管内受限流体的微观静力学特性
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国家自然科学基金资助项目(50276071);重庆大学自然基金资助项目


Microscopical static properties of the confined fluids in nanometer tubes
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    摘要:

    利用分子动力学模拟方法对纳米圆形管内流体微观静力学特性进行了研究.采用修正的LennardJones势能函数描述流体间及流体与固壁间原子的相互作用,并通过在势能函数中所引入的可调参数α改变流体与壁面间的浸润强度,最后借用密度分布、双体分布函数和轴向速度分布展现受限流体的微观特性.模拟结果表明,壁面对流体约束作用的强弱很大程度上影响着管内流体沿径向不同位置的微观分布,改变着流体在不同径向区域的微观表征相和原子的运动特征.

    Abstract:

    The static properties of the confined in the nanometer cylinder tubes are investigated by molecular dynamics simulation. The modified LennardJones potential function is adopted to describe the interaction between fluidfluid and fluidsolid. In which, the introduced parameter α can be adjusted to change the wetting intensity between the fluids and solid solid wall. Furthermore, the microscopic properties of the fluids in the nanometer tube are characterized by the density distribution, the pair distribution function and the axial velocity distribution. The results show that the interaction strength of the atoms between the fluids and solid wall has a significant influence on the microscopic properties of the fluids as well changes the microscopic state in the different radial region and the motional properties of the atoms consisted of the fluids in the tube.

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刘娟芳,李勤,梁鑫俐.纳米管内受限流体的微观静力学特性[J].重庆大学学报,2010,33(8):91-95.

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  • 收稿日期:2010-03-11
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