ROLE OF WATER IN MODIFYING INTERSTRAND INTERACTIONS IN CELLULOSE FIBERS

这个子项目是众多研究子项目之一

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. 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.