Latin Hypercube Sampling Data for Surrogate Model-Based Optimisation of a Batch Distillation Process

The data presented in the two Excel files were used in the paper "Laszlo Hegely, Ömer Faruk Karaman, Marton Tamas Szucs, Peter Lang: Surrogate Model-Based Optimisation of a Batch Distillation Process, 2023". They show the data points in which the simulation of batch distillation process was performed, as well as the simulation results. By the data points, we refer to points in the five-dimensional space of the optimisation variables, which were the reflux ratios of Steps 1-3 of the procedure (R1, R2, R3) and the stopping criteria of Steps 1 and 2 (Cr1 and Cr2). The stopping criteria are the values of tetrahydrofuran concentration 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 procedure was performed twice, first with the original ranges of the optimisation variables ("Original range.xlsx") and then with narrowed ranges ("Narrowed range.xlsx"). Each row is a data point, each column contains either an optimisation variable or a simulation result.本数据集所附两份Excel文件中的数据，已应用于论文《Laszlo Hegely, Ömer Faruk Karaman, Marton Tamas Szucs, Peter Lang: 基于代理模型的间歇精馏过程优化, 2023》（原英文标题：Surrogate Model-Based Optimisation of a Batch Distillation Process）。数据涵盖了开展间歇精馏（batch distillation）过程模拟的设计工况点，以及对应的模拟结果。此处所称的设计工况点，指由优化变量构成的五维空间中的点，具体为该工艺步骤1至3的回流比（R1、R2、R3），以及步骤1和步骤2的停止判据（Cr1、Cr2）；停止判据为对应步骤结束时（瞬时）馏出物中的四氢呋喃（tetrahydrofuran, THF）浓度。本次同步提供用于计算该工艺收益所需的精选模拟结果，具体包括：工艺总运行时长（t）、前馏分1（mfc1）与主馏分（mmc）的质量、前馏分2中甲醇（methanol）、四氢呋喃（tetrahydrofuran, THF）与甲苯（toluene）的浓度（分别记为xfc2,B、xfc2,C与xfc2,E）、主馏分中甲醇的最终浓度（xmc,B）与最大浓度（xmc,B,max），以及工艺收益（OF）。该模拟实验共开展两组：第一组采用优化变量的原始取值范围，对应数据文件为"Original range.xlsx"；第二组采用收窄后的优化变量取值范围，对应数据文件为"Narrowed range.xlsx"。数据表格中每一行代表一个设计工况点，每一列则对应一个优化变量或一项模拟结果。