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题名: A general theory of kinetics and thermodynamics of steady-state copolymerization
作者: Shu, YG;  Song, YS;  Ou-Yang, ZC;  Li, M
刊名: JOURNAL OF PHYSICS-CONDENSED MATTER
出版日期: 2015
卷号: 27, 期号:23, 页码:235105
关键词: steady-state copolymerization ;  depropagation ;  higher-order terminal model ;  kinetics ;  thermodynamics
学科分类: Physics
DOI: http://dx.doi.org/10.1088/0953-8984/27/23/235105
通讯作者: Shu, YG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Zhong Guan Cun East St 55,POB 2735, Beijing 100190, Peoples R China.
文章类型: Article
英文摘要: Kinetics of steady-state copolymerization has been investigated since the 1940s. Irreversible terminal and penultimate models were successfully applied to a number of comonomer systems, but failed for systems where depropagation is significant. Although a general mathematical treatment of the terminal model with depropagation was established in the 1980s, a penultimate model and higher-order terminal models with depropagation have not been systematically studied, since depropagation leads to hierarchically-coupled and unclosed kinetic equations which are hard to solve analytically. In this work, we propose a truncation method to solve the steady-state kinetic equations of any-order terminal models with depropagation in a unified way, by reducing them into closed steady-state equations which give the exact solution of the original kinetic equations. Based on the steady-state equations, we also derive a general thermodynamic equality in which the Shannon entropy of the copolymer sequence is explicitly introduced as part of the free energy dissipation of the whole copolymerization system.
类目[WOS]: Physics, Condensed Matter
关键词[WOS]: FREE-RADICAL COPOLYMERIZATION ;  METHYL-METHACRYLATE ;  DEPROPAGATION ;  STYRENE ;  MODEL
收录类别: SCI
项目资助者: National Basic Research Program of China (973 program) [2013CB932804] ;  National Natural Science Foundation of China [11105218, 91027046]
语种: 英语
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/20964
Appears in Collections:理论物理所2015年知识产出_期刊论文

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Recommended Citation:
Shu, YG,Song, YS,Ou-Yang, ZC,et al. A general theory of kinetics and thermodynamics of steady-state copolymerization[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,2015,27(23):235105.
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