Mechanical characterization of nanoporous two-dimensional Ti3C2 MXene membranes

Adsorption-driven reverse osmosis separation of ethanol/water using zeolite nanosheets

“…Finally, a NEMD simulation, with the last configuration of the EMD simulation as the starting point, is carried out with applied pressures of 200 MPa and 0.1 MPa on the pistons of the feed-side and the permeate-side, respectively, to simulate the RO process. It should be noted that adopting such a large transmembrane pressure has been a common practice in the computational field to explore new membrane materials for filtration applications 51,[53][54][55] in order to accelerate permeation events within the rather short simulation time of tens of nanoseconds for more accurate statistics. As shown in Fig.…”