TY - JOUR A1 - Krone, David A1 - Esche, Erik A1 - Skiborowski, Mirko A1 - Repke, Jens-Uwe T1 - Optimization-based process synthesis by phenomena-based building blocks and an MINLP framework featuring structural screening N2 - An existing approach for optimization-based process synthesis with abstracted phenomena-based building blocks (PBB) is extended by implementing it into a novel MINLP framework with structural screening. Consistency across the multilayer MINLP framework is guaranteed by creating a MathML/XML data model and subsequently exporting the code to the different program parts. The novel framework focuses both on fidelity by implementing thermodynamically sound models and on generality by employing a state-space superstructure that spans a large search space. In order to retain tractability, we insert a structural screening layer which prescreens based on binary decision variables of the superstructure by graph- and rule-based analyses, penalizing non-physical instances without solution of the underlying MINLP. The MINLP framework is successfully applied on two challenging synthesis tasks to determine the separation of the feed streams of benzene and toluene, as well as of n-pentane, n-hexane, and n-heptane utilizing superstructures with two, respectively four PBB. KW - Process synthesis KW - Superstructure optimization KW - Distillation KW - Mathematical programming KW - Structural screening PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-621955 DO - https://doi.org/10.1016/j.compchemeng.2024.108955 VL - 194 SP - 1 EP - 19 PB - Elsevier Ltd. AN - OPUS4-62195 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -