MOLECULAR-DYNAMICS OF POLYMER GROWTH

The irreversible polymerization of a monomer liquid has been studied b y molecular-dynamics simulation in two and three dimensions. The growt h process is studied under good solvent conditions in the dilute regim e and up to semidilute and concentrated regimes. In the dilute regime we observe a reaction limitation due to trapping of the growing center s, which is more pronounced in the lower dimension. At higher concentr ations the presence of other chains decreases the monomer mobility and reaction rate. Conformational properties are studied by scaling analy sis of end-to-end and gyration radii. A crossover from swollen conform ations towards screened conformations is observed as growth proceeds. (C) 1998 American Institute of Physics.