Microtech2010 2010

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

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

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