“…23,24 These kMC algorithms aim at the exact solution for the rigorous chemical master equation and present a simple but powerful tool to describe the time evolution of chemical processes. On top of that, they can be combined with phenomenological models for (mass) transport mechanisms, e.g., diffusion or dispersion, to obtain a detailed description of the studied processes, examples being modelling of traffic and pedestrian flow, 25,26 film, drop or crystal growth, [27][28][29][30][31] vapor deposition, 32,33 atom diffusion on surfaces, 34 electronic and electrochemical applications, [35][36][37] adsorption and heterogeneous catalysis, [38][39][40][41] polycondensation of sugars, 42 epidemiology, 43 kinetics of nucleobases, 44 protein aggregation, 45 and biological and biochemical systems. [46][47][48] The field of polymer reaction engineering (PRE), being the application area in the present work, is a fertile ground to apply kMC algorithms as well, as polymerization kinetics are affected by variations in chain length, chemical composition, and branch location, and, hence, the polymeric macroscopic properties are affected by distributed macromolecular features.…”