Computer simulation of thermal degradation of poly(butylene terephthalate) and analytical problems of terephthalic acid in scission products

摘要

Computer simulation by "Molic-mouse method" was applied to the thermal degradation of poly(butylene terephthalate) (PBT). Two kinds of simulation models were attempted. One was a sophisticated model by which experimental data could be explained with good precision. However, it did not solve the problem of why terephthalic acid (TPA) was not observed in the scission products. The other was a simple model whose simulation showed that TPA should form 25% of the scission products although the simulation result did not coincide with the experimental data. The analytical method and conditions were studied so as to find the conditions under which TPA could be observed. 25% of TPA was detected under the improved conditions. The distribution of PBT scission products as well as the role of computer simulation on polymer degradation phenomena are discussed based on the results.