1. Centro de Investigación en Química Aplicada (CIQA), Blvd. Enrique Reyna No. 140, Saltillo, Coahuila, 25140, México;2. Present address: Centro de Química, Instituto de Ciencias, Universidad Autónoma de Puebla, Complejo de Ciencias, ICUAP. Edif. 76, 22 Sur y San Claudio, Puebla, Puebla, 72570, México;3. Facultad de Química, Departamento de Ingeniería Química, Universidad Nacional Autónoma de México, México D. F., 04510, México
Abstract:
Calculations of polymerization kinetics and molecular weight development in the dithiolactone‐mediated polymerization of styrene at 60 °C, using 2,2′‐azobisisobutyronitrile (AIBN) as initiator and γ‐phenyl‐γ‐butirodithiolactone (DTL1) as controller, are presented. The calculations were based on a polymerization mechanism based on the persistent radical effect, considering reverse addition only, implemented in the PREDICI® commercial software. Kinetic rate constants for the reverse addition step were estimated. The equilibrium constant (K = kadd/k‐add) fell into the range of 105–106 L · mol?1. Fairly good agreement between model calculations and experimental data was obtained.
