[Poster]
Echtermeyer, Alexander Walter Wilhelm; Viell, Jörn
From biomass to levulinic acid: Inline reaction monitoring by MIR spectroscopy in harsh conditions of a thermochemical lignocellulosic biorefinery
In: EuroPACT 2023 - 6th European Conference on Process Analytics and Control Technology Kopenhagen 2023-05-07 - 2023-05-10, 2023

[Conference Presentation]
Echtermeyer, Alexander Walter Wilhelm; Viell, Jörn
Carbon in the cycle - A biorefinery approach towards a circular carbon neutral economy
In: The Korean Society of Industrial and Engineering Chemistry: 2023 KSIEC Spring Meeting Jeju Island 2023-05-10 - 2023-05-12, 2023

[Journal Article]
Chen, Ke; Liu, Mingzhao; Gu, Jianghang; Mhamdi, Adel; Groß, Sven; Heng, Yi
Efficient direct numerical simulation of gas absorption in falling films using a combined high-throughput/high-performance approach
In: Chemical engineering science, 273, 118603, 2023
[DOI: 10.1016/j.ces.2023.118603]

[Journal Article]
Saß, Susanne; Tsoukalas, Angelos; Bell, Ian H.; Bongartz, Dominik; Najman, Jaromil; Mitsos, Alexander
Towards global parameter estimation exploiting reduced data sets
In: Optimization methods & software, 1-13, 2023
[DOI: 10.1080/10556788.2023.2205645]

[Contribution to a book]
Schweidtmann, Artur M.; Bongartz, Dominik; Mitsos, Alexander
Optimization with Trained Machine Learning Models Embedded
In: Encyclopedia of Optimization : Comprehensive reference work for an ever-growing field of crucial importance to the scientific community : Enhanced online content, up-to-date cross references, and entries keyed to MSC subject codes / Editors: Panos M. Pardalos, Oleg A. Prokopyev, 2023
[DOI: 10.1007/978-3-030-54621-2_735-1]

[Journal Article]
Mucci, Simone; Mitsos, Alexander; Bongartz, Dominik
Power-to-X processes based on PEM water electrolyzers: A review of process integration and flexible operation
In: Computers & chemical engineering : CACE, 175, 108260, 2023
[DOI: 10.1016/j.compchemeng.2023.108260]

[Journal Article]
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
In: Computers & chemical engineering, 172, 108202, 2023
[DOI: 10.1016/j.compchemeng.2023.108202]

[Journal Article]
Rittig, Jan Gerald; Ben Hicham, Karim; Schweidtmann, Artur M.; Dahmen, Manuel; Mitsos, Alexander
Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids
In: Computers & chemical engineering, 171 (-), 108153, 2023
[DOI: 10.1016/j.compchemeng.2023.108153]

[Journal Article]
Roth, Daniel Matthias; Haas, Moritz; Echtermeyer, Alexander Walter Wilhelm; Kaminski, Sebastian; Viell, Jörn; Jupke, Andreas
The Effect of Sulfate Electrolytes on the Liquid-Liquid Equilibrium of 2-MTHF/Water/5-HMF: Experimental Study and Thermodynamic Modeling
In: Journal of chemical & engineering data, 14 Seiten, 2023
[DOI: 10.1021/acs.jced.2c00698]

[Contribution to a book, Journal Article]
Palmtag, Andreas; Schröder, Christian Pascal; Zhai, Song; Jupke, Andreas
Extraction Technologies at ACHEMA 2022
In: Chemie - Ingenieur - Technik : CIT, 95 (6), 874-876, 2023
[DOI: 10.1002/cite.202300016]

[Journal Article]
Fleitmann, Lorenz Heinrich Johannes; Ackermann, Philipp; Schilling, Johannes; Kleinekorte, Johanna; Rittig, Jan Gerald; vom Lehn, Florian Alexander; Schweidtmann, Artur M.; Pitsch, Heinz; Leonhard, Kai; Mitsos, Alexander; Bardow, André; Dahmen, Manuel
Molecular design of fuels for maximum spark-ignition engine efficiency by combining predictive thermodynamics and machine learning
In: Energy & fuels, 37 (3), 2213-2229, 2023
[DOI: 10.1021/acs.energyfuels.2c03296]

[Journal Article]
Seidenberg, J. Raphael; Khan, Ahmad A.; Lapkin, Alexei A.
Boosting autonomous process design and intensification with formalized domain knowledge
In: Computers & chemical engineering, 169, 108097, 2022
[DOI: 10.1016/j.compchemeng.2022.108097]

[Conference Presentation]
Schulze, Jan Christoph; Mitsos, Alexander
Data-Driven Nonlinear Model Reduction Using Koopman Theory: Integrated Control Form and NMPC Case Study
In: 61. IEEE Conference on Decision and Control Cancun 2022-12-06 - 2022-12-09, 2023

[Conference Presentation]
Schulze, Jan Christoph; Doncevic, Danimir; Erwes, Nils; Mitsos, Alexander
Data-driven Model Reduction and Nonlinear Model Predictive Control of an Air Separation Unit by Applied Koopman Theory
In: Foundations of Computer Aided Process Operations / Chemical Process Control San Antonio, TX 2023-01-08 - 2023-01-12, 2023

[Journal Article]
Begall, Moritz Johannes; Schweidtmann, Artur M.; Mhamdi, Adel; Mitsos, Alexander
Geometry optimization of a continuous millireactor via CFD and Bayesian optimization
In: Computers & chemical engineering, 171, 108140, 2023
[DOI: 10.1016/j.compchemeng.2023.108140]

[Journal Article]
Rittig, Jan Gerald; Ritzert, Martin; Schweidtmann, Artur M.; Winkler, Stefanie; Weber, Jana M.; Morsch, Philipp; Heufer, Karl Alexander; Grohe, Martin; Mitsos, Alexander; Dahmen, Manuel
Graph machine learning for design of high-octane fuels
In: AIChE journal, 69 (4), e17971, 2022
[DOI: 10.1002/aic.17971]

[Journal Article]
Nevolianis, Thomas; Wolter, Nadja Anna; Kaven, Luise Friederike; Krep, Lukas; Huang, Can; Mhamdi, Adel; Mitsos, Alexander; Pich, Andrij; Leonhard, Kai
Kinetic modeling of a poly(n-vinylcaprolactam-co-glycidyl methacrylate) microgel synthesis: a hybrid in silico and experimental approach
In: Industrial & engineering chemistry research : I & EC research, 62 (2), 893-902, 2023
[DOI: 10.1021/acs.iecr.2c03291]

[Dataset]
Saß, Susanne; Tsoukalas, Angelos; Bell, Ian H.; Bongartz, Dominik; Najman, Jaromil; Mitsos, Alexander
Dataset from: Towards Global Parameter Estimation Exploiting Reduced Data Sets
, 2023
[DOI: 10.18154/RWTH-2022-03252]

[Contribution to a book, Journal Article]
Leenders, Ludger; Hagedorn, Dörthe Franzisca; Djelassi, Hatim; Bardow, André; Mitsos, Alexander
Bilevel optimization for joint scheduling of production and energy systems
In: Optimization and engineering, 24 (1), 499-537, 2022
[DOI: 10.1007/s11081-021-09694-0]

[Poster]
Walter, Julian David; Manchanda, Ashutosh; Wolff, Michael; Borning, Maximilian Arne Walther; König, Andrea; Walther, Grit; Mitsos, Alexander; Moser, Albert
Production Potentials of Biomass- and Electricity-Based Fuels in Europe under Uncertain Resource Availabilities
In: 9. International conference Fuel Science - From Production to Propulsion Aachen, digital 2021-06-22 - 2021-06-24, 2023
[DOI: 10.18154/RWTH-2021-08563]

[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, Contribution to a conference proceedings, Journal Article]
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

[Contribution to a book]
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

[Conference Presentation]
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

[Book, Dissertation / PhD Thesis]
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]

[Book, Dissertation / PhD Thesis]
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]

[Contribution to a book, Contribution to a conference proceedings, Journal Article]
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]

[Conference Presentation]
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

[Journal Article]
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]

[Journal Article]
Cramer, Eike; 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]

[Journal Article]
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]

[Conference Presentation]
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

[Conference Presentation]
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

[Conference Presentation]
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

[Journal Article]
Cramer, Eike; 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]

[Contribution to a conference proceedings, Journal Article]
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]

[Book, Dissertation / PhD Thesis]
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]

[Contribution to a book, Contribution to a conference proceedings]
Glücker, Philipp; Langiu, Marco; Pesch, Thiemo; Dahmen, Manuel; Benigni, Andrea
Incorporating AC Power Flow into the Multi-Energy System Optimization Framework COMANDO
In: Proceedings : 2022 Open Source Modelling and Simulation of Energy Systems (OSMSES) : April 4-5, 2022, Aachen, Germany, 6 Seiten, 2022
[DOI: 10.1109/OSMSES54027.2022.9769138]

[Conference Presentation]
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

[Book, Dissertation / PhD Thesis]
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]

[Journal Article]
Fahr, Steffen; 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, 61 (35), 13191-13204, 2022
[DOI: 10.1021/acs.iecr.2c01217]

[Journal Article]
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]

[Journal Article]
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, Contribution to a conference proceedings]
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