Effects of different atomistic water models on the velocity profile and density number of Poiseuille flow in a nano-channel: Molecular Dynamic Simulation

摘要: In the current study, five different atomistic water models (AWMs) are implemented, order to investigate impact of AWMs treatment on velocity profile and density number. For this purpose, Molecular dynamics simulation (MDS) Poiseuille flow in a nano-channel is conducted. Considered SPC/E, TIP3P, TIP4P, TIP4PFQ TIP5P. To assessment ability each model prediction profile, it compared with analytic profile. Furthermore, MDS results number evaluated by real non-dimensional value for (Rho*). Based computational results,predicted from appropriate accordance solution based Navier–Stokes equations. addition, SPC/E TIP4P prepare best recommended where averaged magnitude across essential. jump TIP5P revealed vicinity walls. However, approximately similar quantity detected all near Finally, numerical related show, has higher compliance intended Rho*, thus suggested, plays an important role our MDS.