(573c) Characterization of Multi-Scale Polymer Structure Evolution through Multivariate Decomposition of Process-Dependent Scattering Data
AIChE Annual Meeting
2009
2009 Annual Meeting
Computing and Systems Technology Division
Multiscale Modeling for Product Design
Thursday, November 12, 2009 - 1:20pm to 1:45pm
In this work, we have developed a novel generalized multivariate data decomposition approach and applied it to the study of multi-scale polymer structural evolution using scattering data. The method, based on Network Component Analysis (NCA), decomposes each experimental signature included in a large process-dependent dataset into the weighted sum of a reduced set of component signatures. These components represents scattering signatures from multiple independent structural units, while the weights can be correlated to the volume fraction of each unit in a single sample. This coarse-graining approach has been applied to the decomposition of small and wide-angle X-ray scattering data to study the time and temperature-controlled structural variation of branched polyethlyene copolymer samples at multiple characteristic length scales.