Molecular dynamics study on the adsorption of Poly(N-vinylcaprolactam) and PAM on the surface of Na Montmorillonite

June 24, 2024June 24, 2024 Discipline: Engineering

The study aims at using molecular dynamics simulation to broaden our knowledge of the
interfacial interaction of PNVCL and PAM on the surface of NaMMT, investigate the
adsorption similarities and differences of PNVCL and PAM on the surface of NaMMT at
different temperatures, study the competitive adsorption relationship between PNVCL and PAM
at different temperatures and reveals its adsorption law. Study the adsorption law of PNVCL
with different adsorption groups on clay surfaces at different temperatures and reveal their
key differences and connections with PAM. The simulations will be carried out using the large-scale atomic molecule massively
parallel simulator (LAMMPS) developed by Sandia National Laboratories

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