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

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• 作者：Mostafa Ahmadi ; Mohammad Reza Saeb ; Yousef Mohammadi ; Mohammad Mehdi Khorasani ; Florian J. Stadler
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2015
• 出版时间：September 16, 2015
• 年：2015
• 卷：54
• 期：36
• 页码：8867-8873
• 全文大小：443K
• ISSN：1520-5045

文摘

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鈥?789) 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.