Molecular dynamics simulation and DFT calculations on the oil-water mixture separation by single-walled carbon nanotubes
Zeng Liang, Zhonghui Zhang, Chunyu Zhou, Mengde Liao, Chufeng Sun
Topics & Concepts
PhysisorptionAdsorptionCarbon nanotubeMolecular dynamicsMaterials scienceChemical engineeringNanotechnologyWastewaterMoleculeSelective adsorptionOrganic chemistryChemistryComputational chemistryEnvironmental scienceEnvironmental engineeringEngineeringCarbon Nanotubes in CompositesNanopore and Nanochannel Transport StudiesElectrohydrodynamics and Fluid Dynamics