Abstract
Cellulose nanocrystals (CNCs) and cellulose microfibrils (CMFs) are promising materials with the potential to significantly enhance the mechanical properties of electrospun nanofibers. However, the crucial aspect of optimizing their integration into these nanofibers remains a challenge. In this work, we present a method to prepare and electrospin a cellulosic solution, aiming to overcome the existing challenges and realize the optimized incorporation of CNCs into nanofibers. The solution parameters of electrospinning were explored using a combined experimental and simulation (molecular dynamics) approach. Experimental results emphasize the impact of polymer solution concentration on fiber morphology, reinforcing the need for further optimization. Simulations highlight the intricate factors, including the molecular weight of cellulose acetate (CA) polymer chains, electrostatic fields, and humidity, that impact the alignment of CNCs and CMFs. Furthermore, efforts were made to study CNCs/CMFs alignment rate and quality optimization. It is predicted that pure CNCs benefit more from electrostatic alignment, while lower molecular weight CA enables better CNC/CMF alignment.
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