Enhancing cellulose-stabilized multiphase/Pickering emulsions systems: A molecular dynamics perspective

Cellulose stabilized multiphase systems (CSMS) have garnered significant attention due to their ultra-stabilization mechanism and vast potential across different fields. CSMS have found valuable applications in scientific disciplines, including Food Science, Pharmaceutical Science, Material Science, and related fields, owing to their beneficial attributes such as sustainability, safety, renewability, and non-toxicity. Furthermore, MPS exhibit novel characteristics that enable multiple mechanisms to produce HIPEs, aerogels, and oleogels revealing undiscovered information. Therefore, to explore the undiscovered phenomena of MPS, molecular level insights using advanced simulation/computational approaches are essential. The molecular dynamics simulation (MDS), play a valuable role in analyzing the interactions of ternary interphase. The MDS have successfully quantified the interactions of MPS by generating, visualizing, and analyzing trajectories. Through MDS, researchers have explored CSMS at the molecular level and advanced their applications in 3D printing, packaging, preparation, drug delivery, encapsulation, biosensors, electronic devices, biomaterials, and energy conservation. This review highlights the remarkable advancements in CSMS over the past five years, along with contributions of MDS in evaluating the relationships that dictate the functionality and properties of CSMS. By integrating experimental and computational methods, we underscore the potential to innovate and optimize these multiphase systems for groundbreaking applications.