CELL 152 |
| Many of the physical, chemical and biological properties of cellulose depend on the interaction of cellulose-based products with a number of external agents. In order to understand the fundamental of such interactions, a detailed atomic model of the crystalline and amorphous structures of cellulose, together with that of the interacting species is highly desirable. To reach this goal, molecular modelling is a powerful tool as it reveals not only the geometry of the interactions at the atomic scale, but also yields the energies associated with the interactions. This presentation will successively focus on the modelling of: (i) the association of the cellulose chains in the crystalline and amorphous phases, (ii) the external morphology of the cellulose fibers and finally (iii) the interaction of cellulose fibers with selected polymers. The validity of the modelling will be confirmed by systematically comparing the predicted data with measured ones. |
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Structure and Properties of Cellulosic Polymers, Assemblies, and Nanocomposites
1:00 PM-4:45 PM, Monday, April 7, 2008 Morial Convention Center -- Rm. R07, Oral
Division of Cellulose & Renewable Materials |