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Transport behavior of pressure-driven gas flow in a nanochannel and the variation of thermal accommodation coefficient

机译:压力驱动气流在纳米通道中的运输行为及热容纳系数的变化

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A three-dimensional molecular dynamics simulation of a rarefied gas flow confined between two parallel solid walls has been carried out to study the gas transport behavior in nanoscale pressure-driven flows. To simulate the effects of pressure-driven flows in nanoscale systems; a reservoir is created at the beginning of the channel. A force, in the form of gravity, is applied to every gas molecule occupying a specific region in the reservoir thereby facilitating to establish a streamwise inhomogeneous flow in a finite length nanochannel. Further, the model is tested for its structural stability and steady-state characteristics. The flow characteristics are evaluated at various bins (A, B, C, and D) along the length of the channel. The presence of a pressure drop established along the length of the channel results in a significant variation of flow properties in the channel. The characteristics of the system are further studied using the spatial distribution of flow properties. To investigate the streamwise variation, thermal accommodation coefficients (TACs) at various sections of the channel are calculated. The results indicate that the TACs vary along the length. Further, the effect of pressure drop on TACs is also analysed. The effect of confinement is also studied with velocity autocorrelation function (VACF) and mean squared displacement (MSD). The effect of confinement is evident in the fluid region away from the wall too.
机译:已经进行了三维分子动力学模拟,限制在两个平行的固体壁之间的稀有气体流动,以研究纳米级压力驱动流中的气体输送行为。模拟压力驱动流在纳米级系统中的影响;在频道开始时创建了一个水库。以重力的形式施加到储存器中占据特定区域的每个气体分子的力,从而促进在有限长度的纳米通道中建立流动不均匀的流动。此外,该模型用于其结构稳定性和稳态特性。沿着通道的长度在各种箱(A,B,C和D)上评估流动特性。沿着通道长度建立的压降的存在导致通道中的流动性能的显着变化。使用流动性质的空间分布进一步研究了系统的特性。为了研究流动变化,计算通道的各个部分处的热容纳系数(TAC)。结果表明,TACS沿着长度变化。此外,还分析了压降对TACS的影响。速度的效果也用速度自相关函数(VACF)和平均平均位移(MSD)进行了研究。限制的效果也在流体区域中远离壁。

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