(555c) A Population Balance Model for the Kinetics of Covalent Organic Framework Nucleation and Growth

This study presents two population balance models for the kinetics of nucleation and growth in covalent organic framework (COF) synthesis. The first model incorporates second-order nucleation and first-order lateral growth of sheets (a common proposal in the literature). It predicts yield (y) vs time (t) curves and specific expressions for the induction time and the initial growth rate, as defined in experiments. However, the first model predicts that growth proceeds to 100% yield unlike experiments where growth typically saturates at 30-40% yield. The second model also assumes second-order nucleation and first order lateral growth, but an equilibrium conversion is incorporated into both expressions. Moreover, we include two-dimensional nucleation and fast templated growth of new layers on existing COF particles. The revised model provides an accurate description of published data for synthesis of COF-5.