School of Mathematics and Statistics, Xinyang Normal University, Xinyang, Henan, China.
College of Mechanical Engineering, Changzhou University, Changzhou, Jiangsu, China.
Sci Rep. 2022 Jan 10;12(1):396. doi: 10.1038/s41598-021-04391-5.
Mathematically formulating nanochannel flows is challenging. Here, the values of the characteristic parameters were extracted from molecular dynamics simulation (MDS), and directly input to the closed-form explicit flow factor approach model (FFAM) for nanochannel flows. By this way, the physical nature of the simulated system in FFAM is the same with that in MDS. Two nano slit channel heights respectively with two different liquid-channel wall interactions were addressed. The flow velocity profiles across the channel height respectively calculated from MDS and FFAM were compared. By introducing the equivalent value [Formula: see text], FFAM fairly agrees with MDS for all the cases. The study values FFAM in simulating nanochannel flows.
用数学方法来描述纳流是具有挑战性的。在这里，特征参数的值从分子动力学模拟（MDS）中提取出来，并直接输入到纳流的封闭形式显式流动因子方法（FFAM）模型中。通过这种方式，FFAM 中模拟系统的物理性质与 MDS 中的相同。研究了两个具有不同液体-通道壁相互作用的纳米狭缝通道高度。从 MDS 和 FFAM 分别计算的通道高度的流速分布进行了比较。通过引入等效值[公式：见文本]，FFAM 在所有情况下都与 MDS 相当吻合。该研究用 FFAM 来模拟纳流。
