MONTE-CARLO SIMULATION OF COPOLYMER MASS-SPECTRA

A computer program, MACO5, was developed which employs the Monte-Carlo approach to simulate the time-variation of the mass spectral peak int ensities of a copolymer sample during the synthesis of an A/B copolyes ter via reactive blending of a mixture of homopolyesters A and B or wh en a copolymer undergoes partial degradation. The program was first us ed to simulate literature data consisting of a series of mass spectra of a butadiene/styrene copolymer subjected to partial ozonolysis. It w as also used to investigate the role of terminal groups in reactive bl ending processes. Two models were developed: the first one describes i nner-group ester-ester exchange reactions, the second describes the pr ocess in which an active terminal group attacks an ester group. The pr edictions of the two models are compared with recent experimental mass spectral data concerning a poly(ethylene adipate-co-ethylene terephth alate) copolyester.