LAUSR

To achieve a realistic model of a carbon nanotube (CNT) membrane, a good understanding of the effects associated with CNT deformations is a key issue. In this study, using molecular dynamics simulation, argon flow through elliptical CNTs is studied. Two armchair CNTs (6, 6) and (10, 10) were considered. The results demonstrated non-uniform dependency of the flow rate to eccentricity of the tube, leading to an unexpectedly increased flow rate in some cases. The effects of tube size, temperature, and pressure gradient are investigated, and longitudinal variations of the interatomic potential and average axial velocity in different segments of the cross section are presented to justify the abnormal behavior of the flow rate with eccentricity. The results showed a significant deviation from the macroscale expectations and approved elliptical deformation as a non-negligible change in the overall flow rate, which should be considered in predictive models of CNT membranes.