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    <title language="eng">Optimization-based process synthesis by phenomena-based building blocks and an MINLP framework featuring structural screening</title>
    <abstract language="eng">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.</abstract>
    <parentTitle language="eng">Computers &amp; Chemical Engineering</parentTitle>
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    <author>David Krone</author>
    <author>Erik Esche</author>
    <author>Mirko Skiborowski</author>
    <author>Jens-Uwe Repke</author>
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      <type>uncontrolled</type>
      <value>Process synthesis</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Superstructure optimization</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Distillation</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mathematical programming</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Structural screening</value>
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    <collection role="institutes" number="">2 Prozess- und Anlagensicherheit</collection>
    <collection role="institutes" number="">2.2 Prozesssimulation</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Anlagensicherheit und Prozesssimulation</collection>
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