Crystallization behavior of polyvinylidene fluoride (PVDF) in NMP/DMF solvents: a molecular dynamics study

Abstract

In this study, the crystallization behavior of polyvinylidene fluoride (PVDF) in NMP/DMF solvent at 9 to 67 weight percent (wt%) was analyzed by molecular dynamics (MD) simulation.

Boron Nitride Nanotube-Aligned Electrospun PVDF Nanofiber-Based Composite Films Applicable to Wearable Piezoelectric Sensors

“…These forms can vary depending on the selected solvent, PVDF concentration, and the solution preparation temperature. 23,24 The phase of PVDF is determined by the trans or gauche links in the chain, and β, γ, and δ phases with trans links exhibit piezoelectric characteristics. In these phases, the electroactive characteristics are defined by the polar structure of β, γ, and δ, where a nonzero dipole moment results from all the dipoles being parallel.…”

“…Among these five phases, α, β, and γ (Figure S1) are the most commonly known ones. These forms can vary depending on the selected solvent, PVDF concentration, and the solution preparation temperature. , The phase of PVDF is determined by the trans or gauche links in the chain, and β, γ, and δ phases with trans links exhibit piezoelectric characteristics. In these phases, the electroactive characteristics are defined by the polar structure of β, γ, and δ, where a nonzero dipole moment results from all the dipoles being parallel. − Among these, a significant dipole moment that can create a high amount of spontaneous polarization can only be induced by the all-trans planar zigzag conformation of the β phase.…”

Formation and saturation of β-phase of PVDF in DMF solvent: a comprehensive study

“…Similar studies were carried out where the formation of the β phase in PVDF has been done with DMF and other solvents [32][33][34][35][36] . In a molecular dynamics based study carried out by Park et al 32 the crystallization behaviour of PVDF at different concentrations of 9 to 67 weight percent (%) of PVDF were studied in the solvents NMP and DMF (the number of NMP and DMF molecules were kept xed at 1030 and 1395).…”

“…Similar studies were carried out where the formation of the β phase in PVDF has been done with DMF and other solvents [32][33][34][35][36] . In a molecular dynamics based study carried out by Park et al 32 the crystallization behaviour of PVDF at different concentrations of 9 to 67 weight percent (%) of PVDF were studied in the solvents NMP and DMF (the number of NMP and DMF molecules were kept xed at 1030 and 1395). It was seen that, in both the solvents, as the PVDF content increased, the β phase increased; however, PVDF showed better crystallization behaviour with DMF than that with NMP, which resulted in higher β phase formation with DMF.…”

Molecular simulation of bulk and confined (1,1,1,3,3-pentafluorobutane)

“…There are also a lot of computational works on the properties of PVDF with different FFs for the case of long molecules (to name a few, see [15][16][17]). However, one can see that all works deal either with small molecules like PFB (see [13] for other small molecules), or very long molecules (for instance, 100 monomers of CF 2 -CH 2 ).…”