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
收藏
页码：89 / 106
页数：18
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