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Designing Thermally Safe Operation Conditions for Isoperibolic Liquid–Liquid Semibatch Reactors without Kinetic and Solubility Parameters: I. Development of the Procedure for Kinetically Controlled Reactions

Guo, Zichao, Chen, Liping, Chen, Wanghua
Industrial & engineering chemistry process design and development 2017 v.56 no.37 pp. 10428-10437
chemical industry, process design, solubility
In the fine and pharmaceutical chemical industries, designing thermally safe operating conditions for liquid–liquid semibatch reactors (SBRs) is a very important issue to prevent the occurrence of thermal runaway. However, because of the time and money constraints in determining the kinetic and solubility parameters for liquid–liquid reactions in practice, it is essential to develop a kinetic-parameters-free and solubility-parameter-free procedure to determine thermally safe operating conditions for liquid–liquid SBRs. In this work, the primary contribution is to develop a simple procedure, with no requirement of kinetic and solubility parameters, to designing thermally safe operating conditions for liquid–liquid SBRs in which kinetically controlled liquid–liquid reactions occur. For this purpose, a modified definition of QFS operation is proposed first. Then, a series of theoretical tools based on the modified definition of QFS operation are developed to design thermally safe operating conditions. Finally, the practical procedure/with no requirement for kinetic and solubility parameters is introduced. In addition, it is worthwhile to note that the procedure developed in this paper is not valid for completely or even partially diffusion-controlled liquid–liquid reactions and the method proposed in this article can be used only when the reaction rate order is equal to 2.