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Optimization of isothermal batchwise bulk free radical polymerization with and without chain transfer agent for minimum reaction time
Author(s) -
Sajjadi Shahriar,
Jahanzad Fatemeh
Publication year - 1994
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.1994.040030505
Subject(s) - chain transfer , polymerization , isothermal process , radical polymerization , kinetic chain length , chemistry , living polymerization , bulk polymerization , transfer agent , thermodynamics , polymer chemistry , materials science , organic chemistry , polymer , physics
In this work the minimum reaction time was studied for a specific final monomer conversion and number‐average chain length by adjusting the amount of initial initiator concentration in the presence of a fixed amount of chain transfer agent at the best isothermal temperature. A new method for the determination of the best initial initiator concentration ([I] 0 ) and isothermal temperature ( T ) in the presence of chain transfer agent was developed by the application of a simple optimization algorithm, based on the Lagrangian multiplier, to the basic free radical kinetics. Numerical examples for the polymerization of styrene are presented. It is shown that in the presence of a fixed amount of chain transfer agent the best isothermal policy for minimum time would deviate from dead‐end polymerization. As the concentration of chain transfer agent increases, a stronger deviation from dead‐end polymerization is observed. It was found that for a given pair of desired conversion and number‐average chain length the usage of a chain transfer agent would result in a longer reaction time. The results give insights into operation of batchwise bulk free radical polymerization for minimum reaction time under isothermal conditions.