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Chemical Engineering Science, Vol.199, 652-660, 2019
Ultimate bounds on reaction selectivity for batch reactors
Targets and benchmarks are useful in chemical process design as they provide an objective, quantitative assessment of a proposed process flowsheet. In addition, with target bounds on reaction selectivity one can also explore the sustainability limits for a chemistry of interest. Unfortunately, targets for reaction selectivity are difficult to obtain using conventional design methods. In 2001, Feinberg and Ellison developed the Continuous Flow Stirred Tank Reactor (CFSTR) Equivalence Principle, providing a methodology to obtain ultimate bounds on steady-state productivity for a chemistry of interest entirely independent of process design. In previous articles, we showed how the CFSTR Equivalence Principle can be used to obtain bounds on reaction selectivity independent of process design for steady-state processes. In this article we prove that the CFSTR Equivalence Principle is also applicable to batch and semi-batch processes, thus providing a unifying framework to obtain an ultimate target for reaction selectivity applicable to all candidate processes for a chemistry of interest. This limit also applies to systems with periodic and chaotic operations. We demonstrate the method with an example for the production of lactic acid through the alkaline conversion of fructose. (C) 2018 Elsevier Ltd. All rights reserved.