Authors: Y. Kadiri, D. Simon, G. Picard, F. Ghozayel, J.-D. Lebreux
Affilation: Ahuntsic College, Canada
Pages: 745 - 748
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.