Public defence in Chemistry, MSc Zhennan Kou

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

Thesis defender:  Zhennan Kou
Opponent: Prof. Markus Miettinen, University of Bergen, Norway
Custos: Prof. Maria Sammalkorpi, Aalto University School of Chemical Engineering

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.

Keywords: cellulose, nanocrystalline cellulose, lignin-carbohydrate complexes, cellulose surface interactions, molecular dynamics simulations

Thesis available for public display 10 days prior to the defence at Aaltodoc. 

Contact information: 
zhennan.kou@aalto.fi
https://www.aalto.fi/en/department-of-chemistry-and-materials-science/soft-materials-modelling
https://www.libercentre.fi/