My Ph.D. research investigates the drying mechanisms of TEMPO-mediated oxidized cellulose nanofibrils (CNFs), well known for their mechanical strength and biocompatibility. These properties make CNFs ideal candidates for sustainable composites and biomedical devices. However, the interaction between CNFs and water, particularly at low humidity levels (<20% water content), presents unanswered questions that must be understood to optimize these materials for practical applications.This presentation will outline my interdisciplinary approach, which combines simulations and experimental techniques to explore the relationship between water and CNFs. This project specifically focuses on the impact of counterions, such as lithium (Li), sodium (Na), magnesium (Mg), and calcium (Ca), on these interactions. These counterions can significantly influence the relationship with water, the drying process, and the final properties of the material. Furthermore, the study considers the effect of confinement distances, which also plays a pivotal role in this subject.Progress in simulation work has already given valuable insights, which will guide the experimental phase of the project. The expected results aim to advance our understanding of how different cellulose charges, ion types, and accents of confinement influence water dynamics, contributing to the development of sustainable nanocellulose-based materials for diverse applications. The findings have the potential to significantly impact the use of nanocellulose in sustainable technologies, particularly in areas where water removal is critical, such as in the production of composites, films, and coatings.