Molecular Dynamics Simulations of Ideal Living Polymerization: Terminal Model and Kinetic Aspects

• Published in: The Journal of Physical Chemistry B Vol. 127; no. 35; pp. 7624 - 7635
• Main Author: Li, Wei
• Format: Journal Article
• Language: English
• Published: American Chemical Society 29.08.2023; American Chemical Society (ACS)
• Subjects: B: Soft Matter, Fluid Interfaces, Colloids, Polymers, and Glassy Materials; mass transfer; molecular dynamics; molecular weight; polymerization; polymers; probability; reaction kinetics

Living polymerization is an important synthetic approach to achieving precise control of synthesized polymers, which is crucial for their applications. The molecular weight distribution (MWD) prescribes the macroscopic properties of polymers and hence is a key feature to characterize polymerization....