The simulation of molecular weight distributions in polyreaction kinetics by discrete Galerkin methods
The simulation of molecular weight distributions in polyreaction kinetics by discrete Galerkin methods
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DOI：
10.1002/mats.1996.040050303
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发表时间：
1996-05
影响因子：
1.4
通讯作者：
M. Wulkow
中科院分区：
文献类型：
--
作者：
M. Wulkow
本文介绍了针对聚合反应中分子量分布建模所产生的微分方程的综合求解器的开发。基于一系列数值开发，软件包 PREDICI 结合了数学、化学计算和实施方面的新方向。该算法基于所谓的离散伽辽金 h-p 方法，该方法可以有效处理多种聚合反应类型。新概念的能力通过具有挑战性的例子得到了证明。
This article describes the development of a comprehensive solver for the differential equations arising from the modeling of molecular weight distributions in polyreactions. Based on a series of numerical developments, the software package PREDICI combines new directions in mathematics, chemical computing and implementation. The algorithm is based on a so-called discrete Galerkin h-p-method, which allows the efficient treatment of numerous polymerization reaction types. The abilities of the new concept are demonstrated on challenging examples.