TY - JOUR A1 - Kozachynskyi, Volodymyr A1 - Staubach, Dario A1 - Esche, Erik A1 - Biegler, Lorenz T. A1 - Repke, Jens-Uwe T1 - Parameter estimation in dynamic multiphase liquid–liquid equilibrium systems N2 - Modeling dynamic systems with a variable number of liquid phases is a challenging task, especially in scenarios where the model is designed for optimization tasks such as parameter estimation. Although there exist methods to model the appearance and disappearance of liquid phases in dynamic systems, they usually require integer variables. In this work, the smoothed continuous approach (SCA) is developed for use with a large number of solvers, since it relies only on continuous variables. To demonstrate the applicability of the new method, the SCA is then applied to model the batch esterification of acetic acid with 1-propanol to water and propyl acetate, and to estimate the reaction parameters. Since the mixture may separate into two liquid phases during the course of the reaction, the parameters are estimated with information on the liquid compositions of both separated liquid phases, which improves the accuracy of the parameter estimates and opens new possibilities for optimal experimental design. KW - Parameter Estimation KW - Uncertainty KW - Dynamic Modeling PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650059 DO - https://doi.org/10.1016/j.compchemeng.2025.109485 SN - 0098-1354 VL - 206 SP - 1 EP - 16 PB - Elsevier Ltd. AN - OPUS4-65005 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -