Z. Kou: Molecular Simulations of Crystalline Cellulose Interfacial Interactions
Fri, 21 Mar
|Aalto University
This thesis uses molecular modeling to study interactions of cellulose nanocrystals (CNCs) with water, ions, and ignin-carbohydrate complexes (LCCs), providing insights to better control CNC-based material properties.
Time & Location
21 Mar 2025, 12:00 – 15:00 EET
Aalto University, Undergraduate Centre, Lecture hall E - Y124, Otakaari 1, 02150 Espoo, Finland
About the Event
Content of the thesis:
Crystalline nanocellulose, especially cellulose nanocrystals (CNCs), is widely used in many fields, such as pharmaceutical and biomedicine materials, paper making and alimentation industries, in reinforcement of polymer composites, but also as support matrices and packaging materials. The interactions between CNC surfaces and other materials can influence the properties of CNC based materials, which can widen the usage of CNC materials.
In this thesis, CNC interactions with water, ions, and lignin-carbohydrate complexes (LCCs) are studied as these are key components affecting the properties of CNC materials but also the wood-like and wood-based materials. Molecular modelling and theory-based findings highlight specifically the important role of hydration in the interactions but also the molecular sizes of both the adsorbing species and the crystalline cellulose surfaces. The thesis and its findings can help understanding and controlling the properties of CNC-based materials.
Opponent: Prof. Markus Miettinen, University of Bergen, Norway
Supervisor: Prof. Maria Sammalkorpi, Aalto University School of Chemical Engineering
Link to electronic thesis: LINK
Link to the remote defence: LINK