Polymerization of 1,3-butadiene using neodymium versatate: optimization of NdV3/TEAL/EASC molar ratios via response surface methodology (RSM)

Abstract

Response surface methodology (RSM) with central composite design was used to optimize and analyze the molar ratio of catalyst components for polymerization of 1,3-butadiene (Bd) using Ziegler–Natta catalyst. In this research work, the catalyst component includes neodymium versatate (NdV3) as catalyst, triethylaluminum as cocatalyst or activator and ethylaluminum sesquichloride as chloride donor. The symbols [Nd], [Al], [Cl] and [Bd] were used for catalyst, cocatalyst, donor and monomer concentration, respectively. The interaction between three important and critical variables was studied and modeled. For this purpose, independent variables are [Bd]/[Nd], [Al]/[Nd] and [Cl]/[Nd] molar ratios at three levels to optimize the dependent or response ones which are monomer conversion, molecular weight and cis content of resulting polymer. Quadratic models were achieved and developed to correlate the catalyst components’ molar ratio with dependent variables. The optimum conditions predicted via RSM were in good agreement with experimental data obtained from the experimental runs. The statistical analysis of the results showed that [Cl]/[Nd] molar ratio had a significant effect on monomer conversion and cis content. Furthermore, the catalyst components’ molar ratio to reach the desirable response parameters is forecasted and experimentally verified. The optimum catalyst components’ molar ratio derived via RSM is as follows: [Bd]/[Nd] = 5363.0, [Al]/[Nd] = 27.2 and [Cl]/[Nd] = 2.2.

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Data availability

The raw/processed data required to reproduce these findings cannot be shared at this time as the data also form a part of an ongoing study.

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Correspondence to Saeid Talebi or Mehdi Salami-Kalajahi.

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Shokri, Aa., Talebi, S. & Salami-Kalajahi, M. 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 (2020). https://doi.org/10.1007/s00289-019-03012-6

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Keywords

  • Polymerization
  • Ziegler–Natta
  • Polybutadiene
  • Neodymium versatate
  • Response surface methodology