Theoretical Modeling of Average Block Structure in Chain-Shuttling α–Olefin Copolymerization Using Dual Catalysts
| Autor: | Pradeep Jain, Min Zhang, Carlos M. Villa, Thomas W. Karjala |
|---|---|
| Rok vydání: | 2013 |
| Předmět: |
chemistry.chemical_classification
Olefin fiber Polymers and Plastics Chemistry Stereochemistry Organic Chemistry technology industry and agriculture Continuous stirred-tank reactor Polymer Chain shuttling polymerization Catalysis Inorganic Chemistry Reaction rate constant Chain (algebraic topology) Chemical engineering Materials Chemistry Copolymer |
| Zdroj: | Macromolecules. 46:4847-4853 |
| ISSN: | 1520-5835 0024-9297 |
| DOI: | 10.1021/ma4004902 |
| Popis: | We report the theoretical derivation of a kinetic model for the prediction of average block structures such as number-average blocks, average block length, and average number of linkage points per chain, etc., in chain shuttling polymerization in the presence of dual catalysts based on the proposed mechanism. We further investigate how the chain shuttling rate constant and virgin chain shuttling agent (CSA) feed rate affect the average block structures predicted by this theoretical model for polymers produced in a continuous stirred tank reactor (CSTR). The simulations demonstrate that the coordination of dual catalysts and CSA is the key to enabling a successful chain shuttling polymerization system. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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