Jakobtorweihen, SvenSvenJakobtorweihenVerbeek, M. G.M. G.VerbeekLowe, C. P.C. P.LoweKeil, FrerichFrerichKeilSmit, BerendBerendSmit2023-04-032023-04-032005-07-22Physical Review Letters 95 (4): 044501 (2005-07-22)http://hdl.handle.net/11420/15106The influence of flexible walls on the self-diffusion of CH4 in an isolated single walled carbon nanotube, as an example, is studied by molecular dynamics simulations. By simulating the carbon nanotube as a flexible framework we demonstrate that the flexibility has a crucial influence on self-diffusion at low loadings. We show how this influence can be incorporated in a simulation of a rigid nanotube by using a Lowe-Andersen thermostat which works on interface-fluid collisions. The reproduction of the results of a flexible carbon nanotube by a rigid nanotube simulation is excellent.en0031-900720054Journal Article10.1103/PhysRevLett.95.044501Other