Modeling of Reversible Chain Transfer Catalyzed Polymerization by Moment Equations Method

Document Type : Research Article

Authors

Department of Polymer Engineering, Sahand University of Technology, P.O. Box 51335-1996, Tabriz, I.R. IRAN

Abstract

A moment equations method was performed to study the Reversible chain Transfer Catalyzed Polymerization (RTCP) of styrene in 80°C. To do this, a kinetic scheme containing conventional free radical polymerization reactions and equilibrium reactions of RTCP was assumed. After obtaining mass balance equations, three moment equations were defined for free and dormant radicals and dead chains. Monomer conversion, catalyst and cocatalyst concentrations, molecular weights and polydispersity index profiles were achieved for two different systems and compared with the simulation results of Goto et al. and also with the experimental results of this work. These systems have had different reaction rate constants for equilibrium reactions of RTCP. The results showed the pseudo-linear increase of conversion and molecular weight versus time while a small PDI values were obtained for system 1 while the final PDI value of system 2 was high. Calculating average error of results compared to experimental and simulation results of Goto et al. showed a good agreement of modeling results with others and confirm the accuracy of results obtained in this work.  

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Main Subjects


[1] Roghani-Mamaqani H., Haddadi-Asl V., Salami-Kalajahi M., In situ Controlled Radical Polymerization: A Review on Synthesis of Well-defined Nanocomposites, Polymer Reviews, 52, p. 142 (2012).
[2] Sciannamea V., Jérôme R., Detrembleur C., In-Situ Nitroxide-Mediated Radical Polymerization (NMP) Processes: Their Understanding and Optimization, Chemical Reviews, 108, p. 1104 (2008).
[3] Roghani-Mamaqani H., Haddadi-Asl V., Najafi M., Salami-Kalajahi M., Preparation of Tailor-Made Polystyrene Nanocomposite with Mixed Clay-Anchored and Free Chains via Atom Transfer Radical Polymerization, AIChE Journal, 57, p. 1873 (2011).
[4] Salami-Kalajahi M., Haddadi-Asl V., Behboodi-Sadabad F., Rahimi-Razin S., Roghani-Mamaqani H., Effect of Silica Nanoparticle Loading and Surface Modification on the Kinetics of RAFT Polymerization, Journal of Polymer Engineering, 32, p. 13 (2012).
[5] Goto A., Tsujii Y., Fukuda T., Reversible Chain Transfer Catalyzed Polymerization (RTCP): A New Class of Living Radical Polymerization, Polymer, 49, p. 5177 (2008).
[6] Cunningham M.F., Controlled/Living Radical Polymerization in Aqueous Dispersed Systems, Progress in Polymer Science, 33, p. 365 (2008).
[7] Simms R. W., Hoidas M. D., Cunningham M. F., Nitroxide-Mediated Styrene Surfactant-Free Emulsion Polymerization, Macromolecules, 41, P. 1076 (2008).
[8] Roghani-Mamaqani H., Haddadi-Asl V., Najafi M., Salami-Kalajahi M., Synthesis and Characterization of Clay Dispersed Polystyrene Nanocomposite via Atom Transfer Radical Polymerization, Polymer Composites, 31, P. 1829 (2010).
[9] Roghani-Mamaqani H., Haddadi-Asl V., Najafi M., Salami-Kalajahi M., Preparation of Nanoclay-Dispersed Polystyrene Nanofibers via Atom Transfer Radical Polymerization and Electrospinning, Journal of Applied Polymer Science, 120, P. 1431 (2011).
[10] Rahimi-Razin S., Haddadi-Asl V., Salami-Kalajahi M., Behboodi-Sadabad F., Roghani-Mamaqani H., Matrix-Grafted Multiwalled Carbon Nanotubes/Poly(methyl methacrylate) Nanocomposites Synthesized by In Situ RAFT Polymerization: A Kinetic Study, International Journal of Chemical Kinetics, 44, P. 555 (2012).
[11] Salami-Kalajahi M., Haddadi-Asl V., Rahimi-Razin S., Behboodi-Sadabad F., Najafi M., Roghani-Mamaqani H., A Study on the Properties of PMMA/Silica Nanocomposites Prepared via RAFT Polymerization, Journal of Polymer Research, 19, Art. No. 9793 (2012).
[12] Goto A., Hirai N., Wakada T., Nagasawa K., Tsujii Y., Fukuda T., Living Radical Polymerization with Nitrogen Catalyst: Reversible Chain Transfer Catalyzed Polymerization with N-Iodosuccinimide, Macromolecules, 41, P. 6261 (2008).
[13] Goto A., Hirai N., Nagasawa K., Tsujii Y., Fukuda T., Kaji H., Phenols and Carbon Compounds as Efficient Organic Catalysts for Reversible Chain Transfer Catalyzed Living Radical Polymerization (RTCP), Macromolecules, 43, p. 7971 (2010).
[14] Yorizane M., Nagasuga T., Kitayama Y., Tanaka A., Minami H., Goto A., Fukuda T., Okubo M., Reversible Chain Transfer Catalyzed Polymerization (RTCP) of Methyl Methacrylate with Nitrogen Catalyst in an Aqueous Microsuspension System, Macromolecules, 43, P. 8703 (2010).
[15] Wolpers A., Ackermann L., Vana P., H-Phosphonic Acid Derivatives as Catalysts for Reversible Chain Transfer Catalyzed Polymerization (RTCP) at Ambient and High Pressure, Macromolecular Chemistry and Physics, 212, P. 259 (2011).
[16] Kuroda T., Tanaka A., Taniyama T., Minami H., Goto A., Fukuda T., Okubo M., Iodine Transfer Dispersion Polymerization (Dispersion ITP) with CHI3 and Reversible Chain Transfer Catalyzed Dispersion Polymerization (Dispersion RTCP) with GeI4 of Styrene in Supercritical Carbon Dioxide, Polymer, 53, p. 1212 (2012).
[17] Kim J., Nomura A., Fukuda T., Goto A., Tsujii Y., Use of Alcohol as Initiator for Reversible Chain Transfer Catalyzed Polymerization, Macromolecular Reaction Engineering, 4, P. 272 (2010).
[18] Goto A., Hirai N., Tsujii Y., Fukuda T., Reversible Chain Transfer Catalyzed Polymerizations (RTCPs) of Styrene and Methyl Methacrylate with Phosphorus Catalysts, Macromolecular Symposia, 261, P. 18 (2008).
[19] Jalili K., Abbasi F., Nasiri M., Copolymerization of Styrene and Methyl Methacrylate. Part I: Experimental Kinetics and Mathematical Modeling, Polymer, 52, p. 4362 (2011).
[20] Salami-Kalajahi M., Najafi M., Haddadi-Asl V., Application of Monte Carlo Simulation Method to Polymerization Kinetics over Ziegler-Natta Catalysts, International Journal of Chemical Kinetics, 41, P. 45 (2009).
[21] Mahjub A., Salami-Kalajahi M., Haddadi-Asl V., Roghani-Mamaqani H., Monte Carlo Simulation of Photo-initiated Bulk Polymerization of Furfuryl Methacrylate, Iranian Polymer Journal, 20, P. 205 (2011).
[22] Salami-Kalajahi M., Haddadi-Asl V., Ganjeh-Anzabi P., Najafi M., Dithioester-mediated RAFT Polymerization: A Kinetic Study by Mathematical Modelling, Iranian Polymer Journal, 20, P. 459 (2011).
[23] Salami-Kalajahi M., Haddadi-Asl V., Najafi M., Ghafelebashi Zarand S. M., Investigation of Ethylene Polymerization Kinetics over Ziegler-Natta Catalysts: Employing Moment Equation Modeling to Study the Effect of Different Active Centers on Homopolymerization Kinetics, E-polymers, No.004 (2008).
[24] Vana P., Goto A., Kinetic Simulations of Reversible Chain Transfer Catalyzed Polymerization (RTCP): Guidelines to Optimum Molecular Weight Control, Macromolecular Theory and Simulations, 19, P. 24 (2010).
[25] Mahjub A., Mohammadi H., Salami-Kalajahi M., Torabi Angaji M., Simulation of Reversible Chain Transfer Catalyzed Polymerization (RTCP): Effect of Different Iodide Based Catalysts, Journal of Polymer Research, 19, Art. No. 9740 (2012).
[26] Najafi M., Roghani-Mamaqani H., Salami-Kalajahi M., Haddadi-Asl V., A Comprehensive Monte Carlo Simulation of Styrene Atom Transfer Radical Polymerization, Chinese Journal of Polymer Science, 28, P. 483 (2010).
[27] Najafi M., Roghani-Mamaqani H., Haddadi-Asl V., Salami-Kalajahi M., A Simulation of Kinetics and Chain Length Distribution of Styrene FRP and ATRP: Chain-Length-Dependent Termination, Advances in Polymer Technology, 30, P. 257 (2011).