A Comprehensive Simulator/Database Package for Reviewing Free-Radical Homopolymerizations

A Theoretical Exploration of the Potential of ICAR ATRP for One‐ and Two‐Pot Synthesis of Well‐Defined Diblock Copolymers

“…On the other hand, for styrene, the influence of thermal self-initiation and chain transfer reactions can be safely neglected at the considered temperatures in this work. [54][55][56][57][58] In the same table, the corresponding intrinsic parameters are given. These parameters are taken from various literature sources and might be associated with some error margins.…”

Isothermal and non-isothermal polymerization of methyl methacrylate in presence of multiple initiators

“…The trends of the adjustable parameters with temperature were determined by fitting the results at every temperature with Eqs. (7), (29) and (30) as reported in Section 4. Moreover, the experimental induction times were fit to Eq.…”

“…There is vast literature, based on fundamental and empirical approaches, dealing with gel and glass effects [27][28][29][30], together with reviews focused on process improvement by mathematical modeling [31][32][33]. Some models attempt to correlate kinetic constants [8,34,35], or transport properties of polymer and monomer [36][37][38] with conversion, temperature, free volume/chain end mobility [6,[37][38][39][40][41], or to view chain growth as a statistical phenomenon leading to different states based on some relevant kinetic parameters, or on diffusion/reptation theories [42][43][44][45][46][47][48].…”

Modeling of the Copolymerization Kinetics of n-Butyl Acrylate and d-Limonene Using PREDICI ®

“…The decomposition rate of BPO is expressed by an Arrhenius relation, the pre-exponential factor and activation energy values were taken from the WATPOLY simulator database developed by Gao and Penlidis [18][19][20][21]:…”

“…The backbiting mechanism was considered in this work, and the corresponding parameters were mainly taken from Hutchinson and Rantow's work [11,[14][15][16][17]. Other basic kinetic parameters used in this work were obtained from the WATPOLY database from the University of Waterloo [18][19][20], which contains parameters for a wide range of monomers, initiators, solvents, CTAs, etc., and can provide good predictions on polymerization rate, composition, and molecular weight in bulk/solution/emulsion systems under a broad range of reaction conditions.…”