Nano Science and Technology Institute
Nanotech 2010 Vol. 2
Nanotech 2010 Vol. 2
Nanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational
Chapter 10: Computational Methods, Simulation & Software Tools

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

Authors:Y. Kadiri, D. Simon, G. Picard, F. Ghozayel, J.-D. Lebreux
Affilation:Ahuntsic College, CA
Pages:745 - 748
Keywords:nano crystalline cellulose, molecular dynamic simulations, self-organization, optical, structural properties
Abstract: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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