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Simulation of secondary nucleation of polymer crystallization via a model of microscopic kinetics
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作者 Kun-Lun Xu Bao-Hua Guo +2 位作者 Renate Reiter Günter Reiter Jun Xua 《Chinese Chemical Letters》 SCIE CAS CSCD 2015年第9期1105-1108,共4页
We present simulations of the mechanism of secondary nucleation of polymer crystallization,based on a new model accounting for the microscopic kinetics of attaching and detaching.As the key feature of the model,we int... We present simulations of the mechanism of secondary nucleation of polymer crystallization,based on a new model accounting for the microscopic kinetics of attaching and detaching.As the key feature of the model,we introduced multibody-interaction parameters that establish correlations between the attaching and detaching rate constants and the resulting thickness and width of the crystalline lamella.Using MATLAB and Monte Carlo method,we followed the evolution of the secondary nuclei as a function of various multibody-interaction parameters.We identified three different growth progressions of the crystal:(i) Widening,(ii) thickening and(iii) simultaneously thickening and widening of lamellar crystals,controlled by the corresponding kinetic parameters. 展开更多
关键词 Computer simulation Secondary nucleation Polymer crystallization Monte Carlo simulation microscopic kinetics model Multi-body interaction
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