Detailed Optimisation Results for a Batch Extractive Distillation Process Obtained by Hybrid Optimisation Methods

The data presented in the four Excel files were used in the paper "Laszlo Hegely: Optimisation of a Batch Extractive Distillation Process with Hybrid Methods, 2025". They show the data points in which the simulation of the batch extractive distillation process was performed, as well as the simulation results. By the data points, we refer to points in the seven-dimensional space of the optimisation variables, which were the reflux ratios of Steps 1-3 of the procedure (R1, R2, R3), the stopping criteria of Steps 1 and 2 (Cr1 and Cr2), and the flow rate (FE) and duration (tF) of the water feeding. (Values of tF/2 are given in the files.) The stopping criteria are the values of tetrahydrofuran concentration (in mass fraction) in the (instantaneous) distillate when the given step is finished. Selected simulation results, the ones necessary to calculate the profit of the process, are also shown: duration of the process (t), mass of the Fore-cut 1 (mfc1) and of the main cut (mmc), the concentration of methanol, THF and toluene in Fore-cut 2 (xfc2,B, xfc2,C and xfc2,E, respectively), the final (xmc,B) and maximal (xmc,B,max) concentration of methanol in the main cut, as well as the profit (OF).
The different files correspond to the different optimisation methods used. They contain various sheets that correspond to different optimisation runs; they are identified with the notation used in the corresponding paper.
The file “GA run data.xlsx” contains the data of the best individual of each generation when only the genetic algorithm is used, with the first line being the first generation. Apart from the data mentioned above, it also contains the ratios C1=xfc2,C/xfc2,B and C2=xfc2,E/xfc2,B, which served as constraints. The elements of profit, the income, incineration and steam cost are also given.
The results of Latin hypercube sampling are in the file “LHS run data.xlsx”. Simulations prematurely terminated are indicated with the symbol “x” in the column “t, min”.
The file “Simplex run data.xlsx” contains the results of the optimisation performed with the Nelder-Mead simplex algorithm. Each run has two sheets. The one whose name starts with “History” contains the initial simplex, including its side length (a), and the list of new points generated by the algorithm. In the latter list, the average (Avg. OF) and standard deviation of the OF values (SD OF) of the points in the simplex are also given. The sheet with the name starting with “AS” shows all the simplexes in sequence, the average and standard deviation of OF (columns Q and R), the simplex size (column S) and the operation performed.
The file “Complex run data.xlsx” presents the data of the current best point of the complex in the rows of each sheet. “n” is the number of simulations performed, “d_avg” is the average scaled distance between the point of the complex.