Determination of polymer chain length distributions by numerical inversion of z-transforms
Determination of polymer chain length distributions by numerical inversion of z-transforms
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DOI：
10.1016/0098-1354(86)87010-7
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发表时间：
1986
影响因子：
4.3
通讯作者：
P. Mills
中科院分区：
文献类型：
--
作者：
P. Mills
本文提出了一种计算聚合反应工程模型中聚合物链长分布的数值方法，其控制方程可以在z变换域中表示。该方法是基于一个适当的z-变换反演关系，其具有离散傅立叶逆变换的形式，可以有效地评估使用各种现有的计算机软件的快速傅立叶变换算法。该方法是通过几个例子，涉及聚合系统和比较的问题进行说明，其他替代解决方案的方法。示例问题之一包括作为新应用的用于聚碳酸酯聚合的复杂反应网络。结果表明，所提出的技术需要一个数量级更少的计算机时间来评估聚合物MWD相比，直接数值积分。
A numerical technique is presented for evaluation of the polymer chain length distribution in polymerization reaction engineering models whose governing equations can be represented in thez-transform domain. The method is based upon an appropriatez-transform inversion relationship that has the form of an inverse discrete Fourier transform which can be efficiently evaluated by the fast Fourier transform algorithm using various existing computer software. The approach is illustrated through several example problems involving polymerization systems and comparisons are made to other alternate solution methods. One of the example problems includes a complex reaction network for polycarbonate polymerization as a novel application. It is shown that the proposed technique requires an order-of-magnitude less computer time to evaluate the polymer MWD when compared to direct numerical integration.