Modeling of the Branching Point Distribution During the Polymerization of <i>N</i> ?Vinylpyrrolidone

To gain insights into the microstructure of polyvinylpyrrolidone (PVP), a detailed reaction mechanism is developed, which characterizes polymer along property coordinate chain length, terminal double bonds (TDB), and branching points. For practical purposes, calculations with three coordinates are unfeasible, model reduction needed. Here, reduced only one single without significant loss accuracy derived. In first step, TDBs by linear relationship between length. As parameters this relation state dependent, they dynamically adjusted from parallel calculated 0D model. second pseudodistribution approach used to reduce 2D distribution length as calculate moments points function A class set up for validation. demonstrate benefits model, different average residence times monomer concentrations in stirred tank reactor. future publication, will be validated experimental data terms