ROLE OF WATER IN MODIFYING INTERSTRAND INTERACTIONS IN CELLULOSE FIBERS

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This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. As a result of hurricane damage to their facility in New Orleans, Drs. French and Johnson were reassigned to the USDA facility in Athens, Georgia. We initiated a project that employs MD and PMF simulations to examine the structure and strength of cellulose microfibers as a function of the number of strands in the model fiber. During their period of displacement from New Orleans, Dr. Johnson worked at the CCRC where he gained training in the practical and theoretical aspects of solvated MD simulations. This work is continuing with simulations of cellulosic fibers using our recently-reported TIP-5P  consistent GLYCAM parameters.