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A general theory of kinetics and thermodynamics of steady-state copolymerization
Shu, YG; Song, YS; Ou-Yang, ZC; Li, M; 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.
2015
发表期刊JOURNAL OF PHYSICS-CONDENSED MATTER
卷号27期号:23页码:235105
文章类型Article
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.
关键词Steady-state Copolymerization Depropagation Higher-order Terminal Model Kinetics Thermodynamics
学科领域Physics
资助者National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Natural Science Foundation of China [11105218, 91027046] ; National Natural Science Foundation of China [11105218, 91027046] ; National Natural Science Foundation of China [11105218, 91027046] ; National Natural Science Foundation of China [11105218, 91027046] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Natural Science Foundation of China [11105218, 91027046] ; National Natural Science Foundation of China [11105218, 91027046] ; National Natural Science Foundation of China [11105218, 91027046] ; National Natural Science Foundation of China [11105218, 91027046]
DOIhttp://dx.doi.org/10.1088/0953-8984/27/23/235105
关键词[WOS]FREE-RADICAL COPOLYMERIZATION ; METHYL-METHACRYLATE ; DEPROPAGATION ; STYRENE ; MODEL
收录类别SCI
语种英语
资助者National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Natural Science Foundation of China [11105218, 91027046] ; National Natural Science Foundation of China [11105218, 91027046] ; National Natural Science Foundation of China [11105218, 91027046] ; National Natural Science Foundation of China [11105218, 91027046] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Natural Science Foundation of China [11105218, 91027046] ; National Natural Science Foundation of China [11105218, 91027046] ; National Natural Science Foundation of China [11105218, 91027046] ; National Natural Science Foundation of China [11105218, 91027046]
WOS类目Physics, Condensed Matter
引用统计
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/20964
专题理论物理所SCI论文
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.
推荐引用方式
GB/T 7714
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.
APA Shu, YG,Song, YS,Ou-Yang, ZC,Li, M,&Shu, YG .(2015).A general theory of kinetics and thermodynamics of steady-state copolymerization.JOURNAL OF PHYSICS-CONDENSED MATTER,27(23),235105.
MLA Shu, YG,et al."A general theory of kinetics and thermodynamics of steady-state copolymerization".JOURNAL OF PHYSICS-CONDENSED MATTER 27.23(2015):235105.
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