Nano Crystalline Cellulose – Optical and Structural Properties by Molecular Dynamic Simulations

Kadiri Y., Simon D., Picard G., Ghozayel F., Lebreux J.-D.
Ahuntsic College, CA

Keywords: molecular dynamic simulations, nano crystalline cellulose, optical, self-organization, structural properties

Structural and optical properties of Nano Crystalline Cellulose (NCC) in liquid solutions and in nematic films were investigated by large-scale molecular dynamics (MD) simulation using empirical Coulombian interaction potentials. The latter was modified by taking into account measurement of the density in the stable liquid at room temperature and atmospheric pressure.

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Journal: TechConnect Briefs
Volume: 2, Nanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational
Published: June 21, 2010
Pages: 745 - 748
Industry sectors: Advanced Materials & Manufacturing | Sensors, MEMS, Electronics
Topic: Informatics, Modeling & Simulation
ISBN: 978-1-4398-3402-2