COMPUTATION OF MOLECULAR-WEIGHT DISTRIBUTIONS FOR FREE-RADICAL POLYMERIZATION SYSTEMS

被引:22
作者
BUDDE, U
WULKOW, M
机构
[1] KONRAD ZUSE ZENTRUM,HEILBRONNERSTR 10,W-1000 BERLIN 31,GERMANY
[2] SCHERING AG,W-1000 BERLIN 65,GERMANY
关键词
D O I
10.1016/0009-2509(91)80010-V
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
Modeling of free radical polymerization leads to very large and usually stiff systems of ordinary differential equations which cannot be solved directly in an efficient way. This paper presents the application of a new approach called the discrete Galerkin method to a realistic example-the polymerization of methyl methacrylate (MMA). The method is characterized by a Galerkin approximation on the basis of orthogonal polynomials of a discrete variable which represents the polymer degree. It allows the efficient computation of solutions of complete kinetic schemes with time- or moment-dependent reaction coefficients by reducing the complexity to a few differential equations. The approximation error can be controlled by an error estimation. In the case of MMA polymerization a reduction of computational effort by a factor of about 25 compared to a standard method can be obtained for the quasi-steady-state approximation of the model. In addition solutions of the un-stationary kinetic scheme can be easily computed.
引用
收藏
页码:497 / 508
页数:12
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