Exploring bimodal HDPE synthesis using single- and dual-site metallocene catalysts: a comprehensive review of the Monte Carlo method and AI-based approaches

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Publicado en:Journal of Polymer Research vol. 31, no. 3 (Mar 2024), p. 76
Autor principal: Habashi, Ramin Bairami
Otros Autores: Najafi, Mohammad, Zarghami, Reza
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Springer Nature B.V.
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100 1 |a Habashi, Ramin Bairami  |u University of Tehran, Department of Polymer Engineering, School of Chemical Engineering, College of Engineering, Tehran, Iran (GRID:grid.46072.37) (ISNI:0000 0004 0612 7950) 
245 1 |a Exploring bimodal HDPE synthesis using single- and dual-site metallocene catalysts: a comprehensive review of the Monte Carlo method and AI-based approaches 
260 |b Springer Nature B.V.  |c Mar 2024 
513 |a Journal Article 
520 3 |a The alteration of the molecular weight distribution (MWD) in high-density polyethylenes (HDPEs) can effectively address processing challenges. However, widening the MWD may have an adverse effect on the mechanical properties. To overcome this, the generation of a bimodal MWD involving low and high molecular weight polymers simultaneously is preferred. Catalytic polymerization and macromolecular engineering design offer viable approaches to achieve this objective. This study explores various production methods, including gas phase, slurry, and solution processes, for synthesizing HDPE with bimodal MWD. It investigates critical variables such as pressure, temperature, initial reactant concentrations (monomer, co-monomer, hydrogen), as well as the utilization of single- and dual-site metallocene catalysts and co-catalysts, which significantly impact the microstructure of bimodal HDPE. In addition, a comprehensive examination of simulation approaches for HDPE synthesis with bimodal MWD is presented, employing deterministic and stochastic methodologies such as moment equations, Monte Carlo simulations, and artificial intelligence (AI) techniques. Detailed insight is provided regarding the simulation algorithms specifically developed for ethylene copolymerization with various co-monomers. A comparative analysis of the advantages and disadvantages of each method is conducted, along with a discussion on the potential application of these methods in future research endeavors. 
653 |a Hydrocarbons 
653 |a Chemical synthesis 
653 |a Zirconium 
653 |a Polymerization 
653 |a Mechanical properties 
653 |a Hydrogen 
653 |a Molecular weight distribution 
653 |a Metallocenes 
653 |a Polymer blends 
653 |a Polyolefins 
653 |a Computer simulation 
653 |a Low density polyethylenes 
653 |a Polyethylene 
653 |a Monomers 
653 |a Design engineering 
653 |a Temperature 
653 |a Solvents 
653 |a Monte Carlo simulation 
653 |a Process controls 
653 |a High density polyethylenes 
653 |a Molecular weight 
653 |a Artificial intelligence 
653 |a Copolymerization 
653 |a Fluidized bed reactors 
653 |a Vapor phases 
653 |a Production methods 
653 |a Catalysts 
700 1 |a Najafi, Mohammad  |u University of Tehran, Department of Polymer Engineering, School of Chemical Engineering, College of Engineering, Tehran, Iran (GRID:grid.46072.37) (ISNI:0000 0004 0612 7950) 
700 1 |a Zarghami, Reza  |u University of Tehran, School of Chemical Engineering, College of Engineering, Tehran, Iran (GRID:grid.46072.37) (ISNI:0000 0004 0612 7950) 
773 0 |t Journal of Polymer Research  |g vol. 31, no. 3 (Mar 2024), p. 76 
786 0 |d ProQuest  |t Materials Science Database 
856 4 1 |3 Citation/Abstract  |u https://www.proquest.com/docview/3266609971/abstract/embedded/7BTGNMKEMPT1V9Z2?source=fedsrch 
856 4 0 |3 Full Text  |u https://www.proquest.com/docview/3266609971/fulltext/embedded/7BTGNMKEMPT1V9Z2?source=fedsrch 
856 4 0 |3 Full Text - PDF  |u https://www.proquest.com/docview/3266609971/fulltextPDF/embedded/7BTGNMKEMPT1V9Z2?source=fedsrch