Optimization of batch solution polymerizations: Simulation studies using an inhibitor and a chain-transfer agent

Abstract

Multiobjective constrained optimizations are carried out to compute optimal operation policies for batch solution polymerizations of styrene. It is shown by simulations how specified values for conversion, average molecular weight, and polydispersity may be achieved through the proper manipulation of the temperature profile and the initial amounts of the initiator, chain-transfer agent (modifier), and inhibitor. The optimizations show that the use of inhibitors and/or modifiers is seldomly required, unless the process economics is taken into consideration or the high-molecular weight chain fraction of the final polymer resin is to be minimized.

Development of new concepts for the control of polymerization processes: Multiobjective optimization and decision engineering. I. Application to emulsion homopolymerization of styrene

“…All these objectives are rarely optimal for the same experimental conditions. In chemical engineering, multiple objectives have usually been combined, through linear combination to form a scalar objective function 23. This technique depends on the user's preconceptions so that preferences can bias the results and a large number of single objective optimization runs have to be executed to obtain different optimal points.…”

Nonisothermal Modeling and Sensitivity Studies for Batch and Semibatch Emulsion Polymerization of Styrene

“…Gentric et al used temperature in batch emulsion polymerization of styrene to minimize the batch time while achieving specified end-point properties. In a simulation study of solution polymerization of styrene, Oliveira et al used temperature to minimize the batch time subject to specified end-point conditions. Previous work at the University of Delaware demonstrated in simulation that controlling surfactant additions is an effective way to achieve prespecified multimodal particle size distributions .…”

Optimal process operation for the production of linear polyethylene resins with tailored molecular weight distribution

“…Only a few authors employed a truly economic objective in the optimization, accounting for reactant cost or revenue for example. O'Driscoll and Ponnuswamy, 47 Oliveira et al, 48 and Tieu et al 49 consider the initiator cost together with the batch time in a multiobjective optimization with constraints on polydispersity, number average molecular weight and copolymer composition (when it applies). Zavala and Biegler 26 show that adding polymer production to the objective function improves the economic performance of the process.…”