Benchmarking forcefields for molecular dynamics simulations of polyamide-based reverse-osmosis membranes
Subhamoy Mahajan, Eric M.V. Hoek, Jeffrey R. McCutcheon, Ying Li
Topics & Concepts
Reverse osmosisBenchmarkingMembranePolyamideMolecular dynamicsOsmosisMaterials scienceChemical engineeringProcess engineeringChemistryEngineeringPolymer chemistryBusinessComputational chemistryMarketingBiochemistryMembrane Separation TechnologiesNanopore and Nanochannel Transport StudiesMembrane-based Ion Separation Techniques