Molecular transport at nanoscale is one of the key scientific questions for material-oriented chemical engineering which focuses in advance nanomaterial.Based on intermolecular interactions and combined with molecular simulation,the theoretical model can be finally built to realize the quantitively prediction of the behavior of fluid molecular transport at nanoscale with the help of molecular thermodynamics modeling method.The cases listed in this work performed the preliminary studies to understand how to investigate the molecular transport behavior at nanoscale based on intermolecular interactions.First,unique microstructures consisted by fluid molecules at nanoscale were analyzed by molecular simulation.Understanding the microstructures is the base to realize regulation and prediction of molecular transport at nanoscale for nanoporous membrane and catalysis material design and application.
NETL
NSTL
万方数据
维普
