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.

对限制在两个平行固体壁之间的稀薄气体流进行了三维分子动力学模拟，以研究纳米级压力驱动流中的气体传输行为。模拟纳米尺度系统中压力驱动流动的影响；在通道的开始处创建一个水库。一种力，以重力的形式, 应用于占据储层中特定区域的每个气体分子，从而有助于在有限长度的纳米通道中建立流向非均匀流动。此外，还测试了模型的结构稳定性和稳态特性。沿通道长度在不同的区间（A、B、C 和 D）处评估流动特性。沿通道长度建立的压降的存在导致通道中流动特性的显着变化。利用流动特性的空间分布进一步研究了系统的特性。为了研究流向变化，计算了通道不同部分的热调节系数 (TAC)。结果表明 TAC 沿长度变化。更多，还分析了压降对 TAC 的影响。还使用速度自相关函数 (VACF) 和均方位移 (MSD) 研究了限制的影响。在远离壁的流体区域中，限制效应也很明显。