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Design and Control of Copolymer Composition Distribution in Living Radical Polymerization Using Semi‐Batch Feeding Policies: A Model Simulation
Author(s) -
Wang Rui,
Luo Yingwu,
Li Bogeng,
Sun Xiaoying,
Zhu Shiping
Publication year - 2006
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200600007
Subject(s) - copolymer , monomer , reactivity (psychology) , composition (language) , polymerization , polymer , polymer chemistry , radical polymerization , distribution (mathematics) , molar mass distribution , materials science , chemical engineering , computer science , biological system , chemistry , mathematics , composite material , medicine , mathematical analysis , linguistics , philosophy , alternative medicine , pathology , engineering , biology
Summary: Although controlled/living radical copolymerization has been extensively studied, the control of copolymer composition distribution receives little attention. In this paper, taking RAFT copolymerization as an example, we develop a mathematical model and simulate copolymerization systems with various reactivity ratios. It is demonstrated that through semi‐batch operations with programmed profiles of slow monomer feeding rate, precise control over copolymer composition distribution (uniform and designed gradient distributions) along polymer chain can be achieved. It is also found that the semi‐batch operations have lower rates of polymerization than their batch counterparts. The reason for this difference is analyzed, and the magnitude depends on the reactivity ratios and targeted copolymer composition. The improvement of the semi‐batch rate by distributing a part of the initiator amount to the monomer feeding tank is found to be minor.Model‐based design and control over composition distribution of gradient copolymers implemented by semi‐batch operations.