Modeling of Methyl Methacrylate Polymerization Using MATLAB

2016 ◽  
Vol 11 (3) ◽  
pp. 185-196
Author(s):  
Woon Phui Law ◽  
Wan Hanisah Wan Ibrahim ◽  
Jolius Gimbun
Keyword(s):  
Methyl Methacrylate ◽  
Monomer Conversion ◽  
Solution Polymerization ◽  
Cage Effect ◽  
Initial Concentration ◽  
Methyl Methacrylate Polymerization ◽  
Batch Time ◽  
Reactor Temperature ◽  
Realistic Prediction ◽  
Mma Polymerization

Abstract This paper presents a modeling of methyl methacrylate (MMA) polymerization with toluene in the presence of azo-bi’s-isobutyronitrile (AIBN) using MATLAB. This work aims to optimize the initial concentration of initiator and the reactor temperature to achieve a maximum monomer conversion in minimum batch time. The optimization of solution polymerization of MMA based on the three-stage polymerization model (TSPM) was performed using ode23t solver. The non-linear polymerization kinetics considered the gel, glass and cage effect to obtain a realistic prediction. The predicted reactor and jacket temperature showed a reasonable agreement with the experimental data, where the error is about 2.7 % and 2.3 %, respectively. The results showed that a maximum monomer conversion of 94 % was achieved at 0.126 kgmol m–3 of the initial concentration of AIBN and 346 K of the initial reactor temperature in 8,951 s (2.5 h).

scholarly journals Optimal Control of Non-Isothermal, Batch Polymerization of Methacrylates with Specified Time, Monomer Conversion, and Average Molecular Weights

2021 ◽  
Author(s):  
Baranitharan Sanmuga Sundaram
Keyword(s):  
Molecular Weight ◽  
Optimal Control ◽  
Methyl Methacrylate ◽  
Process Model ◽  
Control Method ◽  
Operation Time ◽  
Monomer Conversion ◽  
Butyl Methacrylate ◽  
Solution Polymerization ◽  
Polymer Molecular Weight

Optimal control policies are determined for the free radical polymerization of three different polymerization processes, in a non-isothermal batch reactor as follows: (1) bulk polymerization of n-butyl methacrylate; (2) solution polymerization of methyl methacrylate with monofunctional initiator; (3) solution polymerization of methyl methacrylate with bifunctional initiator. Four different optimal control objectives are realized for the above three processes. The objectives are: (i) maximization of monomer conversion in a specified operation time, (ii) minimization of operation time for a specified, final monomer conversation, (iii) maximization of monomer conversion for a specified, final number average polymer molecular weight, and (iv) maximization of monomer conversion for a specified, final weight average polymer molecular weight. The realization of these objectives is expected to be very useful for the batch production of polymers. To realize the above four different optimal control objectives, a genetic algorithms-based optimal control method is applied, and the temperature of heat exchange fluid inside reactor jacket is used as a control function. Necessary equations are provided in the above three processes to suitably transform the process model in the range of a specified variable other than time, and to evaluate the elements of Jacobian to help in the accurate solution of the process model. The results of this optimal control application reveal considerable improvements in the performance of the batch polymerization processes.

scholarly journals Optimal Control of Non-Isothermal, Batch Polymerization of Methacrylates with Specified Time, Monomer Conversion, and Average Molecular Weights

2021 ◽  
Author(s):  
Baranitharan Sanmuga Sundaram
Keyword(s):  
Molecular Weight ◽  
Optimal Control ◽  
Methyl Methacrylate ◽  
Process Model ◽  
Control Method ◽  
Operation Time ◽  
Monomer Conversion ◽  
Butyl Methacrylate ◽  
Solution Polymerization ◽  
Polymer Molecular Weight

Optimal control policies are determined for the free radical polymerization of three different polymerization processes, in a non-isothermal batch reactor as follows: (1) bulk polymerization of n-butyl methacrylate; (2) solution polymerization of methyl methacrylate with monofunctional initiator; (3) solution polymerization of methyl methacrylate with bifunctional initiator. Four different optimal control objectives are realized for the above three processes. The objectives are: (i) maximization of monomer conversion in a specified operation time, (ii) minimization of operation time for a specified, final monomer conversation, (iii) maximization of monomer conversion for a specified, final number average polymer molecular weight, and (iv) maximization of monomer conversion for a specified, final weight average polymer molecular weight. The realization of these objectives is expected to be very useful for the batch production of polymers. To realize the above four different optimal control objectives, a genetic algorithms-based optimal control method is applied, and the temperature of heat exchange fluid inside reactor jacket is used as a control function. Necessary equations are provided in the above three processes to suitably transform the process model in the range of a specified variable other than time, and to evaluate the elements of Jacobian to help in the accurate solution of the process model. The results of this optimal control application reveal considerable improvements in the performance of the batch polymerization processes.

Methyl methacrylate polymerization involving a cobalt ortho-iminobenzosemiquinone complex: Determination of the chain transfer constant

2015 ◽  
Vol 56 (3) ◽  
pp. 267-275 ◽  
Author(s):  
E. V. Kolyakina ◽  
Yu. E. Ovchinnikova ◽  
I. D. Grishin ◽  
A. I. Poddel’skii ◽  
D. F. Grishin
Keyword(s):  
Methyl Methacrylate ◽  
Chain Transfer ◽  
Transfer Constant ◽  
Methyl Methacrylate Polymerization ◽  
Chain Transfer Constant

On the Mechanism of Radical Polymerization of Methyl Methacrylate with Dithiobenzoic Acid as Mediator

2006 ◽  
Vol 59 (8) ◽  
pp. 549 ◽  
Author(s):  
Duc Hung Nguyen ◽  
Philipp Vana
Keyword(s):  
Methyl Methacrylate ◽  
Induction Period ◽  
Hydrogen Abstraction ◽  
Ester Group ◽  
Reaction Scheme ◽  
Ionization Mass ◽  
Controlled Polymerization ◽  
Induction Periods ◽  
Methyl Methacrylate Polymerization ◽  
Raft Agent

Dithiobenzoic acid (DTBA) induces controlled polymerization behaviour in methyl methacrylate polymerization at 60°C, accompanied by a pronounced induction period of several hours. DTBA is partially transformed during this induction period into a dithioester with a tertiary ester group moiety, which constitutes an efficient reversible addition–fragmentation chain transfer (RAFT) agent. The transformation reaction is proposed to proceed via a hydrogen abstraction from DTBA by radicals and subsequent termination of the formed phenylcarbonothioylsulfanyl radical with propagating radicals. The proposed reaction scheme was implemented into a computer model, by which the rate coefficient of the hydrogen abstraction from DTBA and of the reinitiation of the intermediate phenylcarbonothioylsulfanyl radical was estimated. The model is in agreement with all of the species observable by electrospray ionization mass spectrometry, with the extent of the experimental induction periods, and with the absolute concentrations of dithioesters that act as efficient RAFT agents during the polymerization. A protocol that uses a cocktail of initiators is introduced, by which the induction period in DTBA-mediated polymerization is effectively eliminated.

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