Computational and Experimental Study of PVA with F127 and Citric Acid for Electrospinning

Despite the widespread application of electrospun membranes across various scientific fields, there remains a need for a deeper understanding of the molecular interactions between polymers and other compounds in precursor solutions for electrospinning. This study evaluates the molecular conformations of poly(vinyl alcohol) (PVA) with different degrees of hydrolysis (PVA87 and PVA99) and high molar mass, crosslinked with citric acid (CA), using molecular modeling. The solution properties, including rheology and conductivity, were compared to obtain electrospun nanofibers. Additionally, Pluronic-F127® (F127) was incorporated into the PVA/CA system for advanced applications. The molecular modeling results indicate that the degree of hydrolysis affects the intermolecular forces of PVA and the effective binding of CA to the polymer chain. The interactions within the PVA/CA/F127 system vary with the degree of hydrolysis. The high viscosity of PVA99, due to inter- and intramolecular bonds, negatively impacts fiber morphology and formation. Thermal and Raman analyses confirmed crosslinking. Under the conditions used, the PVA99/CA/F127 system is unsuitable for electrospinning. In contrast, the electrospinning and crosslinking of PVA87/CA/F127 with high molar mass yielded better results, enhancing the potential of these nanofibers for drug delivery applications.