1a.Objectives (from AD-416)
Create atomistic and coarse-grain models of cotton fiber and fabrics with water and simulate motion of water.
1b.Approach (from AD-416)
Models of cellulose crystals developed at SRRC will be forwarded to the cooperators who will modify them or create other similar models to mimic cotton fibers or fabrics. These models will then be subjected to molecular dynamics simulations with water present.
Progress is detailed in the individual SCAs that apply (6435-44000-072-02S [University of Georgia] and 6435-44000-072-3S [Tulane]. The students from both universities prepared and gave presentations for the 2010 Beltwide Cotton Conferences. At SRRC, work selected the model crystals for the above studies, assisted molecular dynamics studies of cellulose in water, and carried out the theoretical component of highly precise studies of water interacting with a carbohydrate composed of glucose.
The methods used to monitor activities for this agreement were annual reports, technical visits/e-mails/interactions, presentations at scientific and industry meetings, and publications.