Abstract
We evaluate the contribution made by multivariate curve resolution-alternating least squares (MCR-ALS) for resolving gel permeation chromatography-Fourier transform infrared (GPC-FT-IR) data collected on butadiene rubber (BR) and styrene butadiene rubber (SBR) blends in order to access in-depth knowledge of polymers along the molecular weight distribution (MWD). In the BR-SBR case, individual polymers differ in chemical composition but share almost the same MWD. Principal component analysis (PCA) gives a general overview of the data structure and attests to the feasibility of modeling blends as a binary system. MCR-ALS is then performed. It allows resolving the chromatographic coelution and validates the chosen methodology. For SBR-SBR blends, the problem is more challenging since the individual elastomers present the same chemical composition. Rank deficiency is detected from the PCA data structure analysis. MCR-ALS is thus performed on column-wise augmented matrices. It brings very useful insight into the composition of the analyzed blends. In particular, a weak change in the composition of individual SBR in the MWD's lowest mass region is revealed.
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