A Novel Approach to Population Balance Modeling of Reactive Polymer Modification Leading to Branching

被引：31

作者：

Kryven, Ivan ^{[1
]}

Iedema, Piet D. ^{[1
]}

机构：

[1] Univ Amsterdam, NL-1098 XH Amsterdam, Netherlands

来源：

MACROMOLECULAR THEORY AND SIMULATIONS | 2013年 / 22卷 / 02期

关键词：

convolution; Gaussian basis function; molecular weight distribution; population balance equation; FREE-RADICAL POLYMERIZATIONS; DENSITY POLYETHYLENE; RANDOM SCISSION; CROSS-LINKING; ARCHITECTURE; POLYOLEFINS; MECHANISMS;

D O I：

10.1002/mats.201200048

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

The mathematical treatment of polymer modification systems, described by population balances containing convolution is discussed. The two-dimensional case (molecular weight vs. number of branch points) was considered by utilizing approximations of distributions, expanding them in terms of Gaussian basis functions. Three branching reactions were addressed: chain backbone to chain end point coupling; three-functional coupling of chain ends; and crosslinking. The results were compared to those of Monte Carlo (MC) simulations. Good agreement was observed, although the quality of a distribution as generated by the numerical approach is much better in view of the strong scatter in the MC data.

引用

页码：89 / 106

页数：18

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