Smectic structure of Nano Crystalline Cellulose Established by Large-Scale Parallel Molecular Dynamic Simulations

, ,

Keywords: , , ,

Structural and optical properties of Nano Crystalline Cellulose (NCC) in liquid solutions and in solid films were investigated by large-scale parallel molecular dynamics (MD) simulation using empirical Coulombian interaction potentials. Our calculations give a good description of the self-organization of NCC in liquid solution and in solid films and allow us to question the NCC nematic structure theory and propose an alternative structure theory.

PDF of paper:

Journal: TechConnect Briefs
Volume: 2, Nanotechnology 2011: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational
Published: June 13, 2011
Pages: 631 - 634
Industry sector: Advanced Materials & Manufacturing
Topic: Informatics, Modeling & Simulation
ISBN: 978-1-4398-7139-3