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Doctoral Defence of Zhennan Kou




Zhennan Kou defended his doctoral dissertation on Friday 21.3.2025 at Aalto University.


Title of the thesis: Molecular Simulations of Crystalline Cellulose Interfacial Interactions


Opponent: Prof. Markus Miettinen, University of Bergen, Norway


Supervisor: Prof. Maria Sammalkorpi, Aalto University


The summary 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 in understanding and controlling the properties of CNC-based materials.


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