Khodayari Ali, Vats Shameek, Mertz Grégory, Schnell Carla N, Rojas Carlos Fuentes, Seveno David
Department of Materials Engineering, KU Leuven, Kasteelpark Arenberg 44, Leuven 3001, Belgium.
Luxembourg Institute of Science and Technology (LIST), Rue Bommel 5, L-4940 Hautcharage, Luxembourg.
Carbohydr Polym. 2025 Jan 1;347:122698. doi: 10.1016/j.carbpol.2024.122698. Epub 2024 Sep 7.
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.
纤维素纳米晶体(CNCs)和纤维素微纤丝(CMFs)是很有前景的材料,具有显著增强电纺纳米纤维机械性能的潜力。然而,优化它们与这些纳米纤维整合的关键方面仍然是一个挑战。在这项工作中,我们提出了一种制备和静电纺丝纤维素溶液的方法,旨在克服现有挑战并实现CNCs在纳米纤维中的优化掺入。使用实验和模拟(分子动力学)相结合的方法探索了静电纺丝的溶液参数。实验结果强调了聚合物溶液浓度对纤维形态的影响,进一步凸显了优化的必要性。模拟突出了影响CNCs和CMFs排列的复杂因素,包括醋酸纤维素(CA)聚合物链的分子量、静电场和湿度。此外,还努力研究了CNCs/CMFs的排列速率和质量优化。据预测,纯CNCs从静电排列中获益更多,而较低分子量的CA能实现更好的CNC/CMF排列。