All-atom molecular dynamics study on the non-solvent induced phase separation: Thermodynamics of adding water to poly(vinylidene fluoride)/N-methyl-2-pyrrolidone solution.

The change in the thermodynamics when adding water in poly(vinylidene fluoride) (PVDF)/N-methyl-2-pyrrolidone (NMP) solution is studied from all atom molecular dynamics (MD) simulations. This is done by estimating the free energy of mixing of PVDF/NMP solution with increasing volume fraction of water (ϕ