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This repository includes the files of the manuscript Optimal design of superstructures for placing units and streams with multiple and ordered available locations. Part II: Rigorous design of catalytic distillation columns

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Optimal design of process superstructures: Catalytic distillation test case

This repository includes the files of the manuscript Optimal design of superstructures for placing units and streams with multiple and ordered available locations. Part II: Rigorous design of catalytic distillation columns.

The files included in this repository correspond to the Mixed-integer nonlinear optimization problem to optimally design a catalytic distillation column for producing Ethyl tert-butyl ether from ethanol and isobutane. The full description of this model can be found in the paper from Bernal et al.. The optimization models and proposed algorithm are implemented in GAMS.

Here we address the optimal design of catalytic distillation (CD) columns taking into account discrete design variables, i.e., the number of stages and location of feed stages and reactive stages. This optimization problem is challenging due to the ample search space induced by the inclusion of binary variables to account for these discrete decisions. In this work, the binary variables of the superstructure are expressed as a function of a reduced variable set: the external variables, which allows the use of a local algorithm that solves a series of master and primal sub-problems introduced in our previous study. The master problem is constructed from the reduced variable set and solved with a Discrete-Steepest Descent Algorithm (D-SDA). The primal sub-problem is a nonlinear programming problem obtained by fixing the binary terms in accordance with the reduced variable set. This strategy avoids finding multiple local minimizers, thus making this methodology more practical and efficient than the existing Mixed-Integer Nonlinear Programming (MINLP) local and global optimization solvers.

Our method found that an alternating distribution pattern of the reactive trays, the optimization of the location of feed stages, and the optimization of the total number of trays results in a more cost-effective CD column.

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This repository includes the files of the manuscript Optimal design of superstructures for placing units and streams with multiple and ordered available locations. Part II: Rigorous design of catalytic distillation columns

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