[Preprint]
Schweidtmann, Artur M.; Rittig, Jan Gerald; Weber, Jana M.; Grohe, Martin; Dahmen, Manuel; Leonhard, Kai; Mitsos, Alexander
Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction
, 2022
[DOI: 10.48550/ARXIV.2207.13779]

[Poster]
Ebeling, Katharina Maria; Mürtz, Sonja Dorothea; Bongartz, Dominik; Palkovits, Regina; Mitsos, Alexander
Glycerol oxidation: A promising alternative in electrochemical hydrogen production?
In: (Bio)Process Engineering - a Key to Sustainable Development; A joint event of ProcessNet and DECHEMA-BioTechNet Jahrestagungen 2022 Aachen 2022-09-12 - 2022-09-15, 2022

[Poster]
Ebeling, Katharina Maria; Mürtz, Sonja Dorothea; Bongartz, Dominik; Palkovits, Regina; Mitsos, Alexander
Towards more efficient hydrogen production: The prospects of replacing the OER with glycerol oxidation
In: Aachen Hydrogen Colloquium Aachen 2022-05-03 - 2022-05-04, 2022

[Abstract, Beitrag zu einem Tagungsband, Fachzeitschriftenartikel]
Mucci, Simone; Bongartz, Dominik; Mitsos, Alexander
Optimal Design and Scheduling of a Power-to-Methanol Process with Battery and Intermediate Hydrogen Storage
In: Chemie - Ingenieur - Technik : CIT, 94 (9), P6.11, 2022
[DOI: 10.1002/cite.202255211]

[Poster]
Mucci, Simone; Bongartz, Dominik; Mitsos, Alexander
Optimal Design and Scheduling of a Power-to-Methanol Process with intermediate Storage
In: Aachen Hydrogen Colloquium Aachen 2023-05-03 - 2023-05-04, 2022

[Poster]
Ziegler, Anita Lisa; Djelassi, Hatim; Alter, Tobias Benedikt; Ebert, Birgitta Elisabeth; Blank, Lars M.; Mitsos, Alexander
Predicting modifications in a microbe for guaranteed yield
In: Fuel Science- From Production to Propulsion. 10. International Conference 2022. Aachen 2022-05-10 - 2022-05-12, 2022

[Poster]
Ziegler, Anita Lisa; Djelassi, Hatim; Filbig, Melanie; Alter, Tobias Benedikt; Ebert, Birgitta Elisabeth; Blank, Lars M.; Mitsos, Alexander
How Bilevel Optimization Designs Microbial Fuel Factories—Robustly
In: Fuel Science- From Production to Propulsion. 8. International Conference 2020 Aachen 2022-06-23 - 2022-06-25, 2022

[Buchbeitrag]
Baitalow, Kristina; Lüthje, Jannik Torben; Mitsos, Alexander; Nilges, Benedikt; von der Aßen, Niklas Vincenz; Wessling, Matthias
Chlor-Alkali-Elektrolyse
In: Energieflexiblität in der deutschen Industrie: Band 2, 2022

[Konferenzbeitrag]
Schulze, Jan Christoph; Caspari, Adrian; Mhamdi, Adel; Mitsos, Alexander; Ecker, Anna-Maria; Pottmann, Martin; Schliebitz, Florian; Zapp, Gerhard
Nichtlineare modellprädiktive Regelung von Luftzerlegungsanlagen zur Umsetzung energetischer Nachfrageflexibilität
In: Jahrestreffen der "Prozess-, Apparate- und Anlagentechnik Frankfurt am Main 2022-11-21 - 2022-11-22, 2022

[Buch, Doktorarbeit]
Bremen, Andreas Michael
Optimal process design for direct olivine carbonation
In: Aachener Verfahrenstechnik Series AVT.SVT - Process Systems Engineering 28 (2022), 2022
[DOI: 10.18154/RWTH-2023-00586]

[Buch, Doktorarbeit]
Cramer, Eike Casjen Friedrich
Normalizing flow-based scenario generation for energy system optimization
In: Aachener Verfahrenstechnik Series AVT.SVT - Process Systems Engineering 29 (2022), 2022
[DOI: 10.18154/RWTH-2022-10643]

[Buchbeitrag, Beitrag zu einem Tagungsband, Fachzeitschriftenartikel]
Balhorn, Lukas Schulze; Gao, Qinghe; Goldstein, Dominik; Schweidtmann, Artur M.
Flowsheet Recognition using Deep Convolutional Neural Networks
In: Computer Aided Chemical Engineering, 49, 1567-1572, 2022
[DOI: 10.1016/B978-0-323-85159-6.50261-X]

[Konferenzbeitrag]
El Wajeh, Mohammad; Caspari, Adrian; Tsay, Calvin; Offermanns, Christian; Schulze, Jan Christoph; Mhamdi, Adel; Baldea, Michael; Mitsos, Alexander
Process Automation for the Flexibilization of the Chemical Industry
In: ACHEMA 22 Frankfurt am Main 2022-08-22 - 2022-08-26, 2022

[Fachzeitschriftenartikel]
Bremen, Andreas Michael; Ebeling, Katharina Maria; Schulte, Victor; Pavšek, Jan; Mitsos, Alexander
Dynamic modeling of aqueous electrolyte systems in Modelica
In: Computers & chemical engineering, 166, 107968, 2022
[DOI: 10.1016/j.compchemeng.2022.107968]

[Fachzeitschriftenartikel]
Cramer, Eike Casjen Friedrich; Paeleke, Leonard; Mitsos, Alexander; Dahmen, Manuel
Normalizing flow-based day-ahead wind power scenario generation for profitable and reliable delivery commitments by wind farm operators
In: Computers & chemical engineering, 166, 107923, 2022
[DOI: 10.1016/j.compchemeng.2022.107923]

[Fachzeitschriftenartikel]
El Wajeh, Mohammad; Jung, Falco Constantin; Bongartz, Dominik; Kappatou, Chrysoula Dimitra; Ghaffari Laleh, Narmin; Mitsos, Alexander; Kather, Jakob Nikolas
Can the Kuznetsov Model Replicate and Predict Cancer Growth in Humans?
In: Bulletin of mathematical biology, 84 (11), 130, 2022
[DOI: 10.1007/s11538-022-01075-7]

[Konferenzbeitrag]
Ackermann, Philipp; König, Andrea; Dahmen, Manuel; Mitsos, Alexander; Viell, Jörn
Simultaneous Design of Renewable Fuels and their Production Processes
In: (Bio)Process Engineering - a Key to Sustainable Development (ProcessNet Jahrestagung 2022) Aachen 2022-09-12 - 2022-09-15, 2022

[Konferenzbeitrag]
Ackermann, Philipp; Fleitmann, Lorenz Heinrich Johannes; Schilling, Johannes; Kleinekorte, Johanna; Rittig, Jan Gerald; vom Lehm, Florian; Schweidtmann, Artur M.; Pitsch, Heinz; Leonard, Kai; Mitsos, Alexander; Bardow, André; Dahmen, Manuel
Molecular design of spark-ignition fuels by combining predictive thermodynamics and machine learning
In: ESCAPE32 Toulouse 2022-06-12 - 2022-06-15, 2022

[Konferenzbeitrag]
Ackermann, Philipp; Fleitmann, Lorenz Heinrich Johannes; Schilling, Johannes; Kleinekorte, Johanna; Rittig, Jan Gerald; vom Lehm, Florian; Schweidtmann, Artur; Pitsch, Heinz; Leonard, Kai; Mitsos, Alexander; Bardow, André; Dahmen, Manuel
Molecular Design of Spark-Ignition Engine Fuels for Maximal Engine Efficiency
In: Fuel Science - From Production to Propulsion Aachen 2022-05-10 - 2022-05-12, 2022

[Fachzeitschriftenartikel]
Cramer, Eike Casjen Friedrich; Mitsos, Alexander; Tempone, Raúl; Dahmen, Manuel
Principal component density estimation for scenario generation using normalizing flows
In: Data-centric engineering, 3, e7, 2022
[DOI: 10.1017/dce.2022.7]

[Beitrag zu einem Tagungsband, Fachzeitschriftenartikel]
Roh, K.; Brée, Luisa Carola; Schäfer, Pascal; Strohmeier, D.; Mitsos, Alexander
Flexible operation of modular electrochemical CO2 reduction processes
In: IFAC-PapersOnLine, 55 (7), 298-303, 2022
[DOI: 10.1016/j.ifacol.2022.07.460]

[Buch, Doktorarbeit]
Echtermeyer, Alexander Walter Wilhelm
Inline spectroscopy with model-based spectra evaluation for biorefinery unit operations
In: Aachener Verfahrenstechnik series - AVT.SVT - Process Systems Engineering 27 (2022), 2022
[DOI: 10.18154/RWTH-2022-09155]

[Buchbeitrag, Beitrag zu einem Tagungsband]
Glücker, Philipp; Langiu, Marco; Pesch, Thiemo; Dahmen, Manuel; Benigni, Andrea
Incorporating AC Power Flow into the Multi-Energy System Optimization Framework COMANDO
In: 2022 Open Source Modelling and Simulation of Energy Systems (OSMSES) : April 4-5, 2022, Aachen, Germany : proceedings / co-sponsored by IEEE - Indutrial Electronic Society ; technically supported by IEEE IES Technical Committee on Smart Grids (TC-SG), IEEE SMCS Technical Committee on Intelligent Industrial Systems (TC-IIS), 6 Seiten, 2022
[DOI: 10.1109/OSMSES54027.2022.9769138]

[Konferenzbeitrag]
Lindmeyer, Martin; Viell, Jörn; Hofstede, Jordy; Wollny, Katja; Echtermeyer, Alexander Walter Wilhelm; Götz, Ramona
A validated concept to produce "Green Chemicals" at small scale: DeMoBio - Decentralized Modular Biorefinery-containers
In: ACHEMA 22 Frankfurt am Main 2022-08-22 - 2022-08-26, 2022

[Buch, Doktorarbeit]
Kleinekorte, Johanna
Predictive life cycle assessment for chemical processes using machine learning
In: Aachener Beiträge zur technischen Thermodynamik 38, 2022
[DOI: 10.18154/RWTH-2022-09001]

[Fachzeitschriftenartikel]
Fahr, Steffen R.; Peña-Benavides, Samantha Ayde; Thiel, Lukas; Sengoba, Carl; Karacasulu, Kaan; Ihling, Nina; Sosa-Hernández, Juan Eduardo; Gilleskie, Gary; Woodley, John M.; Parra-Saldivar, Roberto; Mansouri, Seyed Soheil; Roh, Kosan
Mobile On Demand COVID-19 Vaccine Production Units for Developing Countries
In: Industrial & engineering chemistry research : I & EC research, 61 (35), 13191-13204, 2022
[DOI: 10.1021/acs.iecr.2c01217]

[Fachzeitschriftenartikel]
Bremen, Andreas Michael; Strunge, Till; Ostovari, Hesam; Spütz, Hendrik; Mhamdi, Adel; Renforth, Phil; van der Spek, Mijndert; Bardow, André; Mitsos, Alexander
Direct Olivine Carbonation: Optimal Process Design for a Low-Emission and Cost-Efficient Cement Production
In: Industrial & engineering chemistry research : I & EC research, 61 (35), 13177-13190, 2022
[DOI: 10.1021/acs.iecr.2c00984]

[Fachzeitschriftenartikel]
Germscheid, Sonja H. M.; Mitsos, Alexander; Dahmen, Manuel
Demand response potential of industrial processes considering uncertain short-term electricity prices
In: AIChE journal, 68 (6), e17828, 2022
[DOI: 10.1002/aic.17828]

[Abstract, Beitrag zu einem Tagungsband]
Neumann, Marcel; Ackermann, Philipp; Rittig, Jan Gerald; Honecker, Christian; Mitsos, Alexander; Dahmen, Manuel; Pischinger, Stefan
Towards Characteristic Fuel Numbers for Molecularly-Controlled Combustion Systems
In: 10th International Conference Fuel Science - From Production to Propulsion May 10 to 12, 2022: Conference Report Book of Abstracts, 23-24, 2022

[Poster]
Schröder, Christian Pascal; Schulze, Jan Christoph; Mitsos, Alexander; Jupke, Andreas
Load-flexible electrochemical pH-swing extraction for bio-based carboxylic acids
In: ACHEMA 2022 Frankfurt am Main 2022-08-22 - 2022-08-26, 2022

[Konferenzbeitrag]
Neumann, Marcel; Ackermann, Philipp; Rittig, Jan Gerald; Honecker, Christian; Mitsos, Alexander; Dahmen, Manuel; Pischinger, Stefan
Towards Characteristic Fuel Numbers for Molecularly-Controlled Combustion Systems
In: 10. International Conference "Fuel Science - From Production to Propulsion" Aachen 2022-05-10 - 2022-05-12, 2022

[Konferenzbeitrag]
Bothe, Jannik; Güttler, Johanna; Heyer, Mathis; Jakobs, Dion; Pavšek, Jan; Karacasulu, Kaan
CO2 Utilization under Intermittent Electricity Supply: Sorption Enhanced DME Synthesis with an Integrated RSOC Process
In: ESCAPE-32 Conference Toulouse 2022-06-12 - 2022-06-15, 2022

[Konferenzbeitrag]
Karacasulu, Kaan; Nöhl, Julian; Echtermeyer, Alexander Walter Wilhelm; Polte, Lukas; Kampwerth, Jan; Viell, Jörn; Jung, Celine Laura; Albrecht, Pascal; Osterthun, Ole; Klankermeyer, Jürgen; Jupke, Andreas; Mitsos, Alexander
Techno-economic analysis of a biorefinery process for the flexible production of gamma-valerolactone and 1,4-pentanediol
In: 10. International Conference of the Cluster of Excellence "The Fuel Science Center" Aachen 2022-05-10 - 2022-05-12, 2022

[Fachzeitschriftenartikel]
dos Santos Schultz, Eduardo; Olofsson, Simon; Mhamdi, Adel; Mitsos, Alexander
Satisfaction of path chance constraints in dynamic optimization problems
In: Computers & chemical engineering, 164, 107899, 2022
[DOI: 10.1016/j.compchemeng.2022.107899]

[Fachzeitschriftenartikel]
Jungen, Daniel; Djelassi, Hatim; Mitsos, Alexander
Adaptive discretization-based algorithms for semi-infinite programs with unbounded variables
In: Mathematical methods of operations research : ZOR, 96 (1), 83-112, 2022
[DOI: 10.1007/s00186-022-00792-y]

[Konferenzbeitrag]
Völker, Simon; Deutz, Sarah; Burre, Jannik; Bongartz, Dominik; Omari, Ahmad; Lehrheuer, Bastian; Pischinger, Stefan; Mitsos, Alexander; Bardow, André; von der Aßen, Niklas Vincenz
Environmental potential of CO2-based polyoxymethylene ethers as diesel blends
In: 19. International Conference on Carbon Dioxide Utilization Princeton 2022-06-26 - 2022-06-30, 2022

[Poster]
Völker, Simon; Ackermann, Philipp; Viell, Jörn; Mitsos, Alexander; von der Aßen, Niklas Vincenz
Integrated fuel and process design combined with life cycle assessment
In: 10. International Conference "Fuel Science - From Production to Propulsion" Aachen 2022-05-10 - 2022-05-12, 2022

[Fachzeitschriftenartikel]
Harhues, Tobias; Portheine, Lukas; Plath, Cathleen Anastasia Nadine; Viell, Jörn; Keller, Robert Gregor; Büchs, Jochen; Wessling, Matthias
Direct Electrosynthesis of 2-Butanone from Fermentation Supernatant
In: ACS sustainable chemistry & engineering, 10 (19), 6483-6492, 2022
[DOI: 10.1021/acssuschemeng.2c01971]

[Poster]
Jungen, Daniel; Jan-Frederic, Laub; Mitsos, Alexander
Optimal Experimental Design for Optimal Process Design: A Black-Box Approach to Reduce Computation Time
In: 10. International Conference "Fuel Science - From Production to Propulsion" Aachen 2022-05-10 - 2022-05-12, 2022

[Fachzeitschriftenartikel]
Schulze, Jan Christoph; Mitsos, Alexander
Data-Driven Nonlinear Model Reduction Using Koopman Theory : Integrated Control Form and NMPC Case Study
In: IEEE control systems letters, 6, 2978-2983, 2022
[DOI: 10.1109/LCSYS.2022.3181443]

[Buch, Doktorarbeit]
Leenders, Ludger
Optimization methods for integrating energy and production systems
In: Aachener Beiträge zur technischen Thermodynamik 35, 2022
[DOI: 10.18154/RWTH-2022-05716]

[Fachzeitschriftenartikel]
Biselli, Andreas; Echtermeyer, Alexander Walter Wilhelm; Reifsteck, Rafael Antonio; Materla, Peter; Mitsos, Alexander; Viell, Jörn; Jupke, Andreas
Investigation of the elution behavior of dissociating itaconic acid on a hydrophobic polymeric adsorbent using in-line Raman spectroscopy
In: Journal of chromatography / A, 1675, 463140, 2022
[DOI: 10.1016/j.chroma.2022.463140]

[Fachzeitschriftenartikel]
Karacasulu, Kaan; Echtermeyer, Alexander Walter Wilhelm; Kabatnik, Christoph; Scheffczyk, Jan David; Bardow, André; Viell, Jörn; Mitsos, Alexander
Optimally designed solvent system for lignocellulosic biomass conversion supported by property predictions
In: Sustainable energy & fuels, 6 (11), 2734-2744, 2022
[DOI: 10.1039/D2SE00187J]

[Fachzeitschriftenartikel]
Deb, Tanmoy Kanti; Lebaz, Noureddine; Ozdemir, Mahir Sinan; Govoreanu, Ruxandra; Mhamdi, Adel; Sin, Gürkan; Sheibat-Othman, Nida
Monitoring and Modeling of Creaming in Oil-in-Water Emulsions
In: Industrial & engineering chemistry research : I & EC, 61 (13), 4638-4647, 2022
[DOI: 10.1021/acs.iecr.1c04722]

[Buchbeitrag]
Roh, Kosan; Brée, Luisa Carola; Perrey, Karen; Bulan, Andreas; Mitsos, Alexander
On economic operation of switchable chlor-alkali electrolysis for demand-side management
In: Simulation and Optimization in Process Engineering : The Benefit of Mathematical Methods in Applications of the Chemical Industry / Roh, Kosan, 225-242, 2022
[DOI: 10.1016/B978-0-323-85043-8.00007-6]

[Buch, Doktorarbeit]
Burre, Jannik
Optimal design of power-to-x processes
In: Aachener Verfahrenstechnik series AVT.SVT - Process systems engineering 25, 2022
[DOI: 10.18154/RWTH-2022-04275]

[Fachzeitschriftenartikel]
Burre, Jannik; Kabatnik, Christoph; Al-Khatib, Mohamed; Bongartz, Dominik; Jupke, Andreas; Mitsos, Alexander
Global flowsheet optimization for reductive dimethoxymethane production using data-driven thermodynamic models
In: Computers & chemical engineering, 162, 107806, 2022
[DOI: 10.1016/j.compchemeng.2022.107806]

[Fachzeitschriftenartikel]
Fahr, Steffen R.; Mitsos, Alexander; Bongartz, Dominik
Simultaneous deterministic global flowsheet optimization and heat integration: Comparison of formulations
In: Computers & chemical engineering, 162, 107790, 2022
[DOI: 10.1016/j.compchemeng.2022.107790]

[Buch, Doktorarbeit]
Faust, Johannes Michael Magnus
Optimal operation of semi-batch polymerization reactors
In: Aachener Verfahrenstechnik series - AVT.SVT - Process Systems Engineering 26, 2022
[DOI: 10.18154/RWTH-2022-03898]

[Fachzeitschriftenartikel]
Völker, Simon; Deutz, Sarah; Burre, Jannik; Bongartz, Dominik; Omari, Ahmad; Lehrheuer, Bastian; Mitsos, Alexander; Pischinger, Stefan; Bardow, André; von der Aßen, Niklas Vincenz
Blend for all or pure for few? Well-to-wheel life cycle assessment of blending electricity-based OME$_{3-5}$ with fossil diesel
In: Sustainable energy & fuels, 6 (8), 1959-1973, 2022
[DOI: 10.1039/D1SE01758F]