Determination of Microstructure in Copolymers - Statistical Modeling and Computer-Simulation of Mass-Spectra

Abstract: The recent finding that significant information on copolymer microstructure can be obtained by using mass spectrometry has stimulated our work toward developing appropriate algorithms to match the experimental mass spectra to those theoretically calculated. A novel program for the determination of microstructure in copolymers by computer simulation of mass spectra is reported. The statistical model used to describe copolymer distributions is reported in detail in the text. The computer simulation program (MACO3) is discussed, and three illustrative examples are given.