Optimization of 1,3-butadiene monomer coordination polymerization using response surface methodology (RSM)

Document Type : Original research

Authors

1 Faculty of Polymer Engineering, Sahand University of Technology, P.O. Box: 51335-1996, Tabriz, Iran

2 Institute of Polymeric Materials, Sahand University of Technology, P.O. Box: 51335-1996, Tabriz, Iran

Abstract

Laboratory runs can be minimized via experimental design which yields the optimum and best data regarding the independent parameters. In this research work, response surface methodology (RSM) based on a threelevel central composite design (CCD) was utilized to optimize and evaluate the interactive effects of processing conditions for polymerization of 1,3-butadiene (Bd) diene monomer using Ziegler-Natta catalyst. The polybutadiene rubber (PBR) having different cis content and molecular weight was obtained. The catalyst components included neodymium versatate (NdV3) as catalyst, triethyl aluminum (TEAL) as cocatalyst or activator, and ethylaluminum sesquichloride (EASC) as chloride donor. For the modeling, three independent variables, namely monomer concentration (8-28 wt%), reaction time (1.5-2.5 h), and reaction temperature (45-75ºC) at three levels were selected to optimize the dependent variables or responses including monomer conversion, viscosity-average molecular weight and the cis isomer content of the obtained polymer. The interaction between three crucial parameters was studied and modeled. Quadratic models were obtained to relate process conditions to dependent variables. It was observed that the optimal conditions predicted by RSM were consistent with the experimental data. Statistical analysis demonstrated that concentration of the monomer and the time of reaction significantly affected cis content. Moreover, processing conditions to achieve the desired response variables were predicted and experimentally approved. The optimal reaction conditions derived from RSM are monomer concentration = 19 wt%, polymerization time = 2 hours, and polymerization temperature = 50ºC. Polymerization was carried out at optimum conditions. The appropriate level of dependent variables including 94.2% monomer conversion, 151812 g/mol viscosity-average molecular weight and 98.8% cis content was acquired.

Keywords

Main Subjects


  1. Neusa MTP, Fernanda MBC, Marcos ASC (2004) Synthesis and characterization of high Cis-polybutadiene: Influence of monomer concentration and reaction temperature. Eurp Polym J 40: 2599-2603
  2. Shokri A-A, Talebi S, Salami-Kalajahi M (2020) Polybutadiene rubber/graphene nanocomposites prepared via in-situ coordination polymerization using neodymium-based Ziegler-Natta catalyst. Ind Eng Chem Res 59:15202-15213
  3. Ganjeh-Anzabi P, Haddadi-Asl V, Salami- Kalajahi M, Abdollahi M (2013) Kinetic investigation of the reversible addition-fragmentation chain transfer polymerization of 1,3-butadiene. J Polym Res 20: 248.
  4. Friebe L, Nuyken O, Obrecht W (2006) Neodymium-based Ziegler-Natta catalyst and their application in diene polymerization. Adv Polym Sci 204: 1-154
  5. Mello IL, Coutinho FMB, Nunes DSS, Soares BG, Costa MAS, Maria LCS (2004) Solvent effect in cis-1,4 polymerization of 1,3-butadiene by a catalyst based on neodymium. Eurp Polym J 40: 635-640
  6. Coutinho FMB, Rocha TCJ, Mello IL, Nunes DSS, Soares BG, Costa MAS (2005) Effect of electron donors on 1,3-butadiene polymerization by a Ziegler-Natta catalyst based on neodymium. J Appl Polym Sci 98: 2539-2543
  7. Cabassi F, Italia S, Giarrusso A, Porri L (1986) The homopolymerization of 2,3-dimethyl- 1,3-butadiene and the copolymerization of 1,3-butadiene/2,3-dimethyl-1,3-butadiene using the catalyst system AlEt2Cl-Co(acac)2: A structural investigation of the products. Makromol Chem 187: 913-921
  8. Wu LB, Li BG, Cao K, Li BF (2001) Styrene polymerization with ternary neodymium-based catalyst system: Effects of catalyst preparation procedures. Eurp Polym J 37: 2105-2110
  9. Song G, Gu Z, Li P, Wang L, Gao L (2012) The properties of organo-montmorillonite/Cis-1,4- polybutadiene rubber nanocomposites and the effect of recovered solvent on the conversion of butadiene polymerization. Appl Clay Sci 65: 158-161
  10. Dai Q, Zhang X, Hu Y, He J, Shi C, Li Y, Bai C (2017) Regulation of the cis-1,4- and trans- 1,4-polybutadiene multiblock copolymers via chain shuttling polymerization using a ternary neodymium organic sulfonate catalyst. Macromolecules 50: 7887-7894
  11. Wang F, Liu H, Zheng W, Guo J, Zhang C, Zhao L, Zhang H, Hu Y, Bai C, Zhang X (2013) Fully-reversible and semi-reversible coordinative chain transfer polymerizations of 1,3-butadiene with neodymium-based catalytic systems. Polymer 54: 6716-6724
  12. Chatarsa C, Prasassarakich P, Rempel GL, Hinchiranan N (2015) The influence of Ni/Nd-based Ziegler-Natta catalysts on microstructure configurations and properties of butadiene rubber. J Appl Polym Sci 132: 41834-41843
  13. Bezerra MA, Santelli RE, Oliveira EP, Villar LS, Escaleira LA (2008) Response surface methodology (RSM) as a tool for optimization in analytical chemistry. Talanta 76: 965-977
  14. Mason RL, Gunst RF, Hess JL (2003) Statistical design and analysis of experiments with application to engineering and science. 2nd ed., Wiley, New York
  15. Lundstedt T, Seifert E, Abramo L, Thelin B, Nystrӧm A, Pettersen J, Bergman R (1998) Experimental design and optimization. Chemo Intell Labor Syst 42: 3-40
  16. Yabalak E, Gormez O, Giriz AM (2018) Subcritical water oxidation of propham by H2O2 using response surface methodology (RSM). J Environm Sci Heal: Part B 53: 334-339
  17. Myers RH, Montgomery DC, Anderson CM (2009) Response surface methodology: Process and product optimization using designed experiments. 3rd ed., Wiley, Hoboken, NJ
  18. Chow WS, Yap YP (2008) Optimization of process variables on flexural properties of epoxy/ organo-montmorillonite nanocomposites by response surface methodology. eXPRESS Polym Lett 2: 2-11
  19. Nassiri H, Arabi H, Hakim S, Bolandi S (2011) Polymerization of propylene with Ziegler-Natta catalyst: Optimization of operating conditions by response surface methodology (RSM). Polym Bull 67: 1393-1411
  20. Najafi M, Haddadi-Asl V (2007) Effects of reaction and processing parameters on ethylene polymerization using different Ziegler-Natta catalysts: Employment of taguchi experimental design and response surface method. Chin J Polym Sci 25: 153-162
  21. Shokri AA, Talebi S, Salami-Kalajahi M (2020) Polymerization of 1,3-butadiene using neodymium versatate: Optimization of NdV3/ TEAL/EASC molar ratios via response surface methodology (RSM). Polym Bull 77: 5245-5260
  22. Mosaddeghi MR, Pajoum-Shariati F, Vaziri- Yazdi SA, Nabi-Bidhendi Gh (2018) Application of response surface methodology (RSM) for optimizing coagulation process of paper recycling wastewater using ocimum basilicum. Environm Tech 39: 1-9
  23. Brzozowski B, Lewandowska M (2014) Prolyl endopeptidase - optimization of medium and culture conditions for enhanced production by lactobacillus acidophilus. Electron J Biotechn 17: 204-210
  24. Porri L, Giarrusso A (1989) Comprehensive polymer science: Polymerization of 1,3-dienes with neodymium catalyst. Pergamon Press, Oxford, 53-108
  25.  Ni X, Li J, Zhang Y, Shen Z (2004) Gas Phase polymerization of 1,3-butadiene with supported neodymium-based catalyst: Investigation of molecular weight. J Appl Polym Sci 92: 1945- 1949
  26. Liu J, Min X, Zhu X, Wang Z, Wang T, Fan X (2019) Synthesis of liquid polyisoprene with high cis-1,4 unit content and narrow molecular weight distribution using neodymium phosphate catalyst. Aust J Chem 72: 467-472
  27. Chatarsa C, Prasassarakich P, Rempel GL, Hinchiranan N (2015) 1,3-butadiene polymerization using Co/Nd-based Ziegler/ Natta ctalyst: Microstructures and properties of butadiene Rubber. Polym Eng Sci 55(1): 14-21
  28. Friebe L, Nuyken O, Windisch H, Obrecht W (2002) Polymerization of 1,3-butadiene initiated by neodymium versatate/diisobutylaluminium hydride/Ethylaluminum Sesquichloride: Kinetics and conclusions about the reaction mechanism. Macromol Chem Phys 203: 1055-1064
  29. Oehme A, Gebauer U, Gehrke K, Lechner MD (1996) The influence of ageing and polymerization conditions on the polymerization of butadiene using a neodymium catalyst System. Angew Makromol Chem 235: 121-130
  30. Enriquez-Medrano FJ, Lopez LA, Santiago- Rodriguez YA, Corral FS, Caballero HS, Quintanilla ML, Gomez RD (2015) Polymerization of 1,3-butadiene with neodymium chloride tripentanolate/triisobutylaluminum binary catalyst system: Effect of aging time and reaction temperature. J Polym Eng 35(2): 105- 111
  31. Najafi B, Faizollahzadeh-Ardabili S, Shamshirband S, Chau KW, Rabczuk T (2018) Application of ANNs, ANFIS and RSM to estimating and optimizing the parameters that affect the yield and cost of biodiesel production. Eng Appl Comput Fluid Mach 12: 611-624