NMR sequence analysis for copolymers made at high conversions

Two analytical methodologies have been devised to treat the NMR sequence data of copolymers that are made at high conversions. The first approach is a computer simulation method whereby the copolymerization is simulated through a Monte Carlo process, and the copolymer sequences obtained are compared with the observed NMR data. In the second approach, the NMR triad data are directly analyzed through the first-order Markovian statistics with provision made for conversion. A simplex algorithm is used to optimize the parameters. The procedure has been automated. Examples are shown to illustrate the use of these approaches.