Predicting MWD and Branching Distribution of Terminally Branched Polymers Undergoing Random Scission

被引：20

作者：

Iedema, Piet D. ^{[1
]}

机构：

[1] Univ Amsterdam, Vant Hoff Inst Mol Chem, Amsterdam, Netherlands

来源：

MACROMOLECULAR THEORY AND SIMULATIONS | 2012年 / 21卷 / 03期

关键词：

branched; kinetics (polym); molecular weight distribution/molar mass distribution; Monte Carlo simulation; reactive processing; CROSS-LINKING COPOLYMERIZATION; MOLECULAR-WEIGHT DISTRIBUTION; FREE-RADICAL POLYMERIZATION; LOW-DENSITY POLYETHYLENE; MONTE-CARLO METHOD; NETWORK FORMATION; ARCHITECTURES; SIMULATION; POLYOLEFINS; DEGRADATION;

D O I：

10.1002/mats.201100094

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

A new semi-analytical approach to model simultaneous chain scission and branching is described that assumes the separation of the scission and the branching problem. The required properties of the linear segments or primary polymers forming the branched architectures are found by a kinetic model. The general rules for the construction of branched architectures from populations of linear segments then lead to an analytical expression for the branching distribution and a semi-analytical expression for the bivariate length/branching distribution. The method is applied to the scission of an initially branched polymer and subsequent terminal branching on scission points and activated terminal double bonds. Exact agreement is found with Monte Carlo sampling results.

引用

页码：166 / 186

页数：21

共 27 条

[1] A new look at kinetic modeling of nonlinear free radical polymerizations with terminal branching and chain transfer to polymer [J].

Dias, RCS ;

Costa, MRPFN .

MACROMOLECULES, 2003, 36 (23) :8853-8863

[2]

Flory P J., PRINCIPLES POLYM CHE

[3] A simulation study on random scission of branched chains [J].

Giudici, R ;

Hamielec, AE .

POLYMER REACTION ENGINEERING, 1996, 4 (01) :73-101

[4] DEGRADATION OF POLYOLEFINS DURING MELT PROCESSING [J].

HINSKEN, H ;

MOSS, S ;

PAUQUET, JR ;

ZWEIFEL, H .

POLYMER DEGRADATION AND STABILITY, 1991, 34 (1-3) :279-293

[5] A conditional Monte Carlo method to determine the architectures of metallocene catalyzed polyethylene [J].

Hoefsloot, HCJ ;

Iedema, PD .

MACROMOLECULAR THEORY AND SIMULATIONS, 2003, 12 (07) :484-498

[6] Modeling molecular weight and degree of branching distribution of low-density polyethylene [J].

Iedema, PD ;

Wulkow, M ;

Hoefsloot, HCJ .

MACROMOLECULES, 2000, 33 (19) :7173-7184

[7] Conditional Monte Carlo sampling to find branching architectures of polymers from radical polymerizations with transfer to polymer [J].

Iedema, PD ;

Hoefsloot, HCJ .

MACROMOLECULES, 2006, 39 (08) :3081-3088

[8] A conditional Monte Carlo method to predict branched architectures from molecular weight and degree of branching distribution of polyethylene for single and mixed systems with a constrained geometry metallocene catalyst in continuous reactors [J].

Iedema, PD ;

Hoefsloot, HCJ .

POLYMER, 2004, 45 (17) :6071-6082

[9]

Iedema PD, 2001, MACROMOL THEOR SIMUL, V10, P855, DOI 10.1002/1521-3919(20011101)10:9<855::AID-MATS855>3.3.CO

[10]

2-1

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