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dc.contributor.author
Schilling, Johannes
dc.date.accessioned
2020-10-13T08:40:51Z
dc.date.available
2020-10-12T07:27:59Z
dc.date.available
2020-10-12T14:58:17Z
dc.date.available
2020-10-13T08:40:51Z
dc.date.issued
2020-09
dc.identifier.isbn
978-3-95886-368-2
en_US
dc.identifier.other
10.18154/RWTH-2020-08755
en_US
dc.identifier.uri
http://hdl.handle.net/20.500.11850/445460
dc.description.abstract
The right choice of molecules is often crucial for the ultimate success or failure of energy and chemical conversion processes, e.g., refrigerants for cooling systems. However, choosing the right molecule for a process is challenging as the choice of molecules depends directly on the design of the process itself and vice versa. The ultimate success of a process can only be ensured if molecules are assessed on process level considering the inherent thermo-economic trade-off between operating cost and capital investment of the process. To capture all thermo-economic trade-offs, the molecule has thus to be designed simultaneously with the process. To tackle the challenge of choosing the right molecule, this thesis presents a systematic method for the integrated thermo-economic design of molecules and processes. For this purpose, computer-aided molecular design is directly integrated into process design. Thereby, novel molecules can be designed in silico and assessed on the process level. The link between process and molecule is modeled in a thermodynamically consistent way, using the physically-based PC-SAFT equation of state. Besides the design of pure molecules, the method enables also the design of mixtures. To quantify the economic performance of molecules, the design of the process flowsheet and the sizing of the equipment are directly integrated into the design problem. Thereby, the molecule design captures the inherent thermo-economic trade-off between operating cost and capital investment of the process. To provide a user-friendly application for a large user community, the presented method is integrated into a commercial flowsheeting software enabling the definition of the process flowsheet based on model libraries and drag-and-drop flowsheeting. The presented design method identifies the thermo-economically optimal molecule or mixture jointly with the optimal process settings, equipment sizes, and flowsheet. The method is exemplified for the integrated design of Organic Rankine Cycles. The results demonstrate the strong interaction between molecule and process highlighting the need for a systematic integrated design. The presented design method enables a systematic design linking all scales from molecule to economics to ensure the ultimate success of energy and chemical conversion processes.
en_US
dc.language.iso
en
en_US
dc.publisher
Wissenschaftsverlag Mainz GmbH
en_US
dc.subject
CAMD
en_US
dc.subject
CAMPD
en_US
dc.subject
ORC
en_US
dc.subject
PC-SAFT
en_US
dc.title
Integrated thermo-economic design of processes and molecules using PC-SAFT
en_US
dc.title.alternative
Integriertes thermo-ökonomisches Design von Prozessen und Molekülen mittels PC-SAFT
en_US
dc.type
Monograph
ethz.journal.title
Aachener Beiträge zur technischen Thermodynamik
ethz.journal.volume
28
en_US
ethz.size
270 p.
en_US
ethz.notes
Dissertation RWTH Aachen University, Gutachter: Bardow, André; Groß, Joachim. The dissertation is freely available from https://publications.rwth-aachen.de/record/796078?ln=en
en_US
ethz.publication.place
Aachen
en_US
ethz.publication.status
published
en_US
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02130 - Dep. Maschinenbau und Verfahrenstechnik / Dep. of Mechanical and Process Eng.::02668 - Inst. f. Energie- und Verfahrenstechnik / Inst. Energy and Process Engineering::09696 - Bardow, André / Bardow, André
en_US
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02130 - Dep. Maschinenbau und Verfahrenstechnik / Dep. of Mechanical and Process Eng.::02668 - Inst. f. Energie- und Verfahrenstechnik / Inst. Energy and Process Engineering::09696 - Bardow, André / Bardow, André
en_US
ethz.date.deposited
2020-10-12T07:28:08Z
ethz.source
FORM
ethz.eth
no
en_US
ethz.availability
Metadata only
en_US
ethz.rosetta.installDate
2020-10-12T14:58:30Z
ethz.rosetta.lastUpdated
2020-10-12T14:58:30Z
ethz.rosetta.exportRequired
true
ethz.rosetta.versionExported
true
ethz.COinS
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