At the same time, a substantial number of PEGs formed with MWs ranging from 1000 to 5000 Da. Simulations terminated at 𝑆𝚤𝐶 """"" = 2 showed a smaller number of unreacted PEG molecules and an increase in the abundance of formed smaller PEG molecules with chain lengths between 1000 and 6800 Da (with approximately equal abundances of approximately 0.5 wt%). Finally, simulations terminated at 𝑆𝚤𝐶 """"" = 8 resulted in extensive removal of initial PEGs, resulting in PEG molecules with MWs predominantly below 4000 Da.