Target bounds on reaction selectivity via Feinberg's CFSTR equivalence principle
Target bounds on reaction selectivity via Feinberg's CFSTR equivalence principle
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通过 Feinberg 的 CFSTR 等效原理确定反应选择性的目标范围
DOI：
10.1002/aic.15968
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发表时间：
2018
期刊：
影响因子：
3.7
通讯作者：
M. Doherty
中科院分区：
文献类型：
--
作者：
Jeffrey A. Frumkin;M. Doherty
在这项工作中，我们表明，连续流搅拌釜反应器（CFSTR）等效原理，开发的Feinberg和Ellison，1可以用来获得实际的上限反应选择性的任何化学感兴趣。CFSTR等效原理允许人们通过将具有总反应体积V > 0的任意稳态反应器-混合器-分离器系统分解成包括具有相同总反应体积的R + 1个CFSTR（其中R是线性独立化学反应的数目）和理想分离器系统的新系统来探索可达到的反应区域。[1，2]这项工作通过将容量限制纳入CFSTR等效原理来进一步细化允许的选择性，以防止CFSTR和分离器之间的任意大的再循环流和无限小的CFSTR转化。这些约束提供了实际的上限上的化学反应的选择性完全独立于反应器的设计。我们提出的方法和结果的选择现实的化学。本文受版权保护。All rights reserved.
In this work, we show that the Continuous Flow Stirred Tank Reactor (CFSTR) Equivalence Principle, developed by Feinberg and Ellison,1 can be used to obtain practical upper bounds on reaction selectivity for any chemistry of interest. The CFSTR Equivalence Principle allows one to explore the attainable reaction region by decomposing any arbitrary, steady-state reactor-mixer-separator system with total reaction volume V > 0 into a new system comprising R + 1 CFSTRs (where R is the number of linearly independent chemical reactions) with the same total reaction volume and a perfect separator system. [1, 2] This work further refines the allowable selectivities by incorporating capacity constraints into the CFSTR Equivalence Principle to prevent arbitrarily large recycle streams between the CFSTRs and the separators and infinitesimally small CFSTR conversions. These constraints provide practical upper bounds on reaction selectivities of chemistries completely independent of reactor design. We present the methodology and the results for a selection of realistic chemistries. This article is protected by copyright. All rights reserved.