A Perspective on Modeling and Characterization of Transformations in the Blocky Nature of Olefin Block Copolymers

作者：Ahmadi, Mostafa; Saeb, Mohammad Reza^*; Mohammadi, Yousef; Khorasani, Mohammad Mehdi; Stadler, Florian J.

来源：Industrial & Engineering Chemistry Research, 2015, 54(36): 8867-8873.

DOI：10.1021/acs.iecr.5b01180

• CHAIN-SHUTTLING POLYMERIZATION
• MONTE-CARLO-SIMULATION
• MULTIBLOCK COPOLYMERS
• CRYSTALLIZATION KINETICS
• PROPERTY RELATIONSHIPS
• MECHANICAL-PROPERTIES
• MESOPHASE SEPARATION
• UNIAXIAL DEFORMATION
• MICROSTRUCTURE
• ETHYLENE

Traditional characterization methods are still unable to reveal the block structure of olefin block copolymers (OBCs). Therefore, when the predictability of our well-developed computer code (Mohammadi et al. Macromolecules, 2014, 47, 4778-4789) is extended, the blocky nature of OBCs is modeled and characterized. The expanded model could produce a diversity of macromolecules varying in the concentration of chain-shuttling agent, catalyst ratio, and monomer composition as key processing variables. The OBCs were screened and distinguished in view of chain-related specifics, i.e., chain length and chemical composition distribution, as well as block-related characteristics, i.e., number, length, and chemical composition of hard and soft blocks. A detailed picture of the blockiness was captured and visualized tracing transitions in the microstructure of copolymers, from the case corresponding to a blend copolymer (without any shuttling) to an OBC (with considerable shuttling) and then to random copolymers, reflecting the significance of the chosen parameters in determining the blockiness of OBCs.

• 出版日期2015-9-16
• 单位深圳大学