A methodology for simultaneous determination of optimal batch distillation configuration, design and operation is presented. The configuration design methodology utilizes a mixed integer dynamic optimization (MIDO) formulation approach, where the optimal batch distillation system is obtained automatically, based on its maximum overall profitability for a given separation duty. Using rigorous models, the MIDO problem is solved using a practical stochastic solution approach of genetic algorithm and penalty function. The feasibility of this methodology is demonstrated for both binary and multicomponent separation scenarios. In the binary separation case study, the effect of feed composition for different binary mixtures on the optimal configurations, that is, regular vs. inverted columns, is investigated and discussed. The regular column was found to be more profitable for feeds with a high fraction of the light component, whereas the inverted column is optimal for heavier feeds. The optimality of a particular configuration over another is, however, case study specific, depending on, for example, how easy the mixture is to separate. In the multicomponent separation case study, the results obtained highlight the superiority of the multivessel configuration over the regular and inverted configurations. (c) 2005 American Institute of Chemical Engineers.