Collaborative Research Center/Transregio 63

"Integrated Chemical Processes in Liquid Multiphase Systems"

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2019

Bianga, J.; Künnemann K.U.; Gaide, T.; Vorholt, A.J.; Seidensticker, T.; Dreimann, J.M.; Vogt, D.Thermomorphic Multiphase Systems: Switchable Solvent Mixtures for the Recovery of Homogeneous Catalysts in Batch and Flow Processes. Chem. Eur. J., 25, 11586-11608, 2019. [doi.org/10.1002/chem.201902154]


Bianga, J.; Herrmann, N.; Schurm, L.; Gaide, T.;  Dreimann, J.M.; Vogt, D.; Seidensticker, T. Improvement of Productivity for Aqueous Biphasic Hydroformylation of Methyl 10‐Undecenoate – A Detailed Phase Investigation. Eur. J. Lipid Sci.Technol., in press, 2019. [doi.org/10.1002/ejlt.201900317]


Brune, A.; Wolff, T.; Seidel‐Morgenstern, A.; Hamel, C. Analysis of Membrane Reactors for Integrated Coupling of Oxidative and Thermal Dehydrogenation of Propane; Chem. Ing. Tech., 91(9), 645, 2019. [DOI: 10.1002/cite.201800184]


Dreimann, J. M.; Kohls, E.; Warmeling,  H. F. W.; Stein, M.; Guo,  L. F.; Garland,  M.;  Dinh, T. N.; Vorholt, A. J. In Situ Infrared Spectroscopy as a Tool for Monitoring Molecular Catalyst for Hydroformylation in Continuous Processes. ACS Catal., 9, 4308–4319, 2019. DOI: 10.1021/acscatal.8b05066


Felischak, M.; Wolff, T.; Alvarado Perea, L.; Seidel-Morgenstern, A.; Hamel, C. : Influence of process parameters on single bed Ni/(Al)MCM-41 for the ethene to propene reaction. Chem. Eng. Sci., 201, 2019. [doi.org/10.1016/j.ces.2019.115246]


Haarmann, N.; Sosa, A.; Ortega, J.; Sadowski, G., Measurement and Prediction of Excess Properties of Binary Mixtures Methyl Decanoate + an Even-Numbered n-Alkane (C6 - C12) at 298.15 K. Journal of Chemical & Engineering Data, 2019. [DOI: 10.1021/acs.jced.9b00185]


Haarmann, N.; Siewert, R.; Samarov, A. A.; Verevkin, S. P.; Held, C.; Sadowski, G. Thermodynamic Properties of Systems Comprising Esters: Experimental Data and Modeling with PC-SAFT and SAFT-γ Mie. Industrial & Engineering Chemistry Research, 58(16), 6841-6849, 2019. [DOI: 10.1021/acs.iecr.9b00714]


Haarmann, N.; Enders, S.; Sadowski, G., Heterosegmental Modeling of Long-Chain Molecules and Related Mixtures Using PC-SAFT: 2. Associating Compounds. Industrial & Engineering Chemistry Research, 58(11), 4625-4643, 2019. [DOI: 10.1021/acs.iecr.9b00157]


Herrmann, N.; Bianga, J.; Palten, M.; Riemer, T.;  Vogt, D.; Dreimann, J.M.;  Seidensticker, T. Improving Aqueous Biphasic Hydroformylation of Unsaturated Oleochemicals Using a Jet‐Loop‐Reactor. Eur. J. Lipid Sci. Technol., in press, 2019. [doi.org/10.1002/ejlt.201900166]


Hernández, R. and Engell, S.: Economics Optimizing Control with Model Mismatch Based on Modifier Adaptation. In: Proc. of the 12th IFAC symposium on Dynamics and Control of Process Systems (DYCOPS), Brazil, 2019.


Hohl, L., Röder, V.; Kraume, M.: Dispersion and phase separation of water-oil-amphiphile systems in stirred tanks. Chem. Eng. Tech. 42, 1-14, 2019. [DOI: 10.1002/ceat.201800743]


Jameel, F.; Kohls, E.;  Stein, M. Mechanism and Control of the Palladium‐Catalyzed Alkoxycarbonylation of Oleochemicals from Sustainable Sources. ChemCatChem, 11(19), 4894-4906, 2019. [doi.org/10.1002/cctc.201901097]


Janiga, G.; Large-eddy simulation and 3D proper orthogonal decomposition of the hydrodynamics in a stirred tank. Chem. Eng. Sci., 201, 132-144, 2019. [doi.org/10.1016/j.ces.2019.01.058]


Janus, T.; Cegla, M.; Barkmann, S.; Engell, S. Optimization of a hydroformulation process in a thermomorphic solvent system using a commercial steady-state process simulator and a memetic algorithm. 29th European Symposium on Computer Aided Process Engineering, 29, 469-474, 2019. [DOI: 10.1016/B978-0-12-818634-3.50079-5]


Jokiel, M.; Rätze, K. H. G.; Kaiser, N. M.; Künnemann, K.; Hollenbeck, J. P.; Dreimann, J.M.; Vogt, D. and Sundmacher K. Miniplant scale evaluation of a semibatch-continuous tandem reactor system for the hydroformylation of long-chain olefins. Ind. Eng. Chem. Res., 58,7, 2471-2480 2019. [DOI: 10.1021/acs.iecr.8b03874]


Jokiel, M.; Kaiser, N. M.; Kováts, P.; Mansour, M.; Zähringer, K.; Nigam, K. D. P. and Sundmacher, K. Helically coiled segmented flow tubular reactor for the hydroformylation of long-chain olefins in a thermomorphic multiphase system. Chemical Engineering Journal, 377, 2019. [doi.org/10.1016/j.cej.2018.09.221]


Keßler, T.; Kunde, C.; McBride, K.; Mertens, N.; Michaels, D.; Sundmacher, K.; Kienle, A. Global Optimization of Distillation Columns using Explicit and Implicit Surrogate Models. Chem. Eng. Sci., 197, 235-245, 2019. [doi.org/10.1016/j.ces.2018.12.002]


Khot, P., Mansour, M., Thévenin, D., Nigam, K. D. P. and Zähringer, K.: Improving the mixing characteristics of coiled configurations by early flow inversion, Chemical Engineering Research and Design, 146, 324-335, 2019. [doi.org/10.1016/j.cherd.2019.04.016]


Kunde, C.; Keßler, T.; Linke, S.; McBride, K.; Sundmacher, K.; Kienle, A. Surrogate Modeling for Liquid–Liquid Equilibria Using a Parameterization of the Binodal Curve. Processes, 7, 753, 2019. [doi.org/10.3390/pr7100753]


Mansour, M., Thévenin, D., Nigam, K. D. P. and Zähringer, K. Generally-valid optimal Reynolds and Dean numbers for efficient liquid-liquid mixing in helical pipes. Chem. Eng. Sci., 201, 382-385, 2019. [doi.org/10.1016/j.ces.2019.03.003]


Melnikov, S.M.; Stein, M. Solvation and Dynamics of CO2 in Aqueous Alkanolamine Solutions. ACS Sustainable Chem. Eng. 7(1), 1028-1037, 2019. [doi.org/10.1021/acssuschemeng.8b04666]


Nentwich, C.; Engell, S. Surrogate modeling of phase equilibrium calculations using adaptive sampling. Comput. Chem. Eng., 126, 204–217, 2019. doi.org/10.1016/j.compchemeng.2019.04.006


Pogrzeba, T., Illner, M., Schmidt, M., Milojevic, N., Esche, E., Repke, J.-U., Schomäcker, R. Kinetics of Hydroformylation of 1‑Dodecene in Microemulsion Systems Using a Rhodium Sulfoxantphos Catalyst. Industrial & Engineering Chemistry Research, 58, 4443-4453, 2019, [doi.org/10.1021/acs.iecr.8b06157]


Schulz, J.M.; Junne, H.; Böhm, L.; Kraume, M. Measuring local heat transfer by application of Rainbow Schlieren Deflectometry in case of different symmetric conditions. Experimental Thermal and Fluid Science, in press, 2019. [doi.org/10.1016/j.expthermflusci.2019.109887]


Stehl, D.; Milojević, N.; Stock, S.; Schomäcker, R.; von Klitzing, R. Synergistic Effects of Rh-catalyst on Particle Stabilized Pickering Emulsions for Hydroformylation of Long Chain Olefins. Industrial & Engineering Chemistry Research, 58(7), 2524-2536, 2019, [DOI: 10.1021/acs.iecr.8b04619]

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2018

Aydin, E.; Dominique, B.; Sundmacher, K. NMPC using Pontryagin’s Minimum Principle-Application to a two-phase semi-batch hydroformylation reactor under uncertainty. Com. Chem. Eng., 108, 47-56, 2018. [doi.org/10.1016/j.compchemeng.2017.08.010]


Aydin, E.; Dominique, B.; Sundmacher, K. Computationally efficient NMPC for batch and semi-batch processes using parsimonious input parameterization.Jour. Proc. Eng., 66, 12-22, 2018. [doi.org/10.1016/j.jprocont.2018.02.012]


Bertleff, B.; Göbel, R.;  Claußnitzer, J.; Korth, W.; Skiborowski, M.; Wasserscheid,; Jess, A.; Albert J. Investigations on Catalyst Stability and Product Isolation in the Extractive Oxidative Desulfurization of Fuels Using Polyoxometalates and Molecular Oxygen. ChemCatChem., 10, 4602-4609, 2018. [DOI: 10.1002/cctc.201801081]


Bibouche, B.; Peral, D.; Stehl, D.; Söderholm, V.; Schomäcker, R.; von Klitzing, R.; Vogt, D. Multiphasic aqueous hydroformylation of 1-alkenes with micelle-like polymer particles as phase transfer agents. RSC Adv., 8, 23332-23338, 2018. [doi:10.1039/C8RA04022B]


Boz, E.; Tüzün, N. Ş.; Stein, M. Computational investigation of the control of the thermodynamics and microkinetics of the reductive amination reaction by solvent coordination and a co-catalyst. RSC Adv., 8, 36662-366674, 2018. [doi:10.1039/C8RA08135B]


Gerlach, M.; Kirschtowski, S.; Seidel-Morgenstern, A.; Hamel, C. Kinetic Modeling of the Palladium-Catalyzed Isomerizing Methoxycarbonylation of 1-Decene. Chem. Ing. Tech., 90(5), 673-678, 2018. [https://doi.org/10.1002/cite.201700162]


Goetsch, T.; Zimmermann, P.; Scharzec, B.; Enders, S.; Zeiner, T. Adsorption Isotherms of Liquid Isomeric Mixtures. Ind. Eng. Chem. Res., 57, 11210-11218, 2018. [DOI: 10.1021/acs.iecr.8b02296]


Haarmann, N.; Enders, S.; Sadowski, G. Heterosegmental Modeling of Long-Chain Molecules and Related Mixtures using PC-SAFT: 1. Polar Compounds. Ind. Eng. Chem. Res., 2018. [DOI: 10.1021/acs.iecr.8b03799]


Haarmann, N.; Enders, S.; Sadowski, G. Modeling binary mixtures of water and n-alkanes using PC-SAFT. Fluid Phase Equilibria, 470, 203-211, 2018. [doi.org/10.1016/j.fluid.2017.11.015]


Hernandez, R.; Dreimann, J.; Vorholt, A.; Behr, A.; Engell, S. Iterative real-time optimization scheme for optimal operation of chemical processes under uncertainty: proof of concept in a miniplant. Ind. Eng. Chem. Res., 57(26), 8750-8770, 2018. [DOI: 10.1021/acs.iecr.8b00615]


Hernandez, R.; Dreimann, J.; Engell, S. Reliable iterative RTO of a continuously operated hydroformylation process. IFAC-papersOnLine, 51(18), 61-66, 2018. [doi.org/10.1016/j.ifacol.2018.09.249]


Hohl, L.; Kraume, M. The formation of complex droplets in liquid three phase systems and their effect on dispersion and phase separation. Chem. Eng. Res. Des., 129, 89-101, 2018. [https://doi.org/10.1016/j.cherd.2017.10.027]


Hohl, L.; Schulz, J.; Kraume, M. Towards Drop Size Modeling in Three Phase Microemulsion Systems. J. Chem. Eng. Jpn., 51(4), 383-388, 2018. [doi:10.1252/jcej.17we291]


Hohl, L.; Panckow, R. P.; Schulz, J. M.; Jurtz, N.; Böhm, L.; Kraume, M. Description of disperse multiphase processes – quo vadis?. Chem. Ing. Tech. 90(11), 1709-1726, 2018. [doi.org/10.1002/cite.201800079]


Illner, M.; Esche, E.; Repke, J.-U. Optimal Control of Surfactant containing Multiphase Systems - Challenges and Solution Strategies for a stable Mini-Plant Operation. Comput.-Aided Chem. Eng., 44, 739-744, 2018. [doi.org/10.1016/B978-0-444-64241-7.50118-X]


Illner, M.; Schmidt, M.; Pogrzeba, T.; Urban, C.; Esche, E.; Schomäcker, R.; Repke, J.-U. Palladium-Catalyzed Methoxycarbonylation of 1-Dodecene in a Two-Phase System: The Path toward a Continuous Process. Ind. Eng. Chem. Res., 57(27), 8884-8894, 2018. [doi: 10.1021/acs.iecr.8b01537]


Jokiel M.; Sundmacher K. Spezielle labortechnische Reaktoren: Wendelrohrreaktor. In: Reschetilowski W. (eds) Handbuch Chemische Reaktoren. Springer Reference Naturwissenschaften.Springer Spektrum, Berlin, Heidelberg. 2018. DOI: https://doi.org/10.1007/978-3-662-56444-8_46-1


Jokiel, M.; Kaiser, N. M.; Kováts, P.; Mansour, M.; Zähringer, K.; Nigam, K. D.P.; Sundmacher, K. Helically coiled segmented flow tubular reactor for the hydroformylation of long-chain olefins in a thermomorphic multiphase system. Chemical Engineering Journal, in press, 2018. [doi.org/10.1016/j.cej.2018.09.221]


Kaiser, N. M.; Flassig, R. J.; Sundmacher, K. Reactor-network synthesis via flux profile analysis. Chem. Eng. Jour., 335, 1018-1030, 2018. [doi.org/10.1016/j.cej.2017.09.051]


Keßler, T.; Kunde, C.; Mertens, N.; Michaels, D.; Kienle, A. Global optimization of distillation columns using surrogate models. SN Applied Sciences, 1,11, 2018. [doi.org/10.1007/s42452-018-0008-9]


Kováts, P.; Pohl, D.; Thévenin, D.; Zähringer, K. Optical determination of oxygen mass transfer in a helically-coiled pipe compared to a straight horizontal tube. Chemical Engineering Science., 190, 237-285, 2018. [doi.org/10.1016/j.ces.2018.06.029]


Kunde, C.; Kienle, A. Global optimization of multistage binary separation networks. Chemical Engineering and Processing - Process Intensification, 131, 164-177, 2018. [doi.org/10.1016/j.cep.2018.06.024]


Lemberg, M.; Schomäcker, R.; Sadowski, G. Thermodynamic prediction of the solvent effect on a transesterification reaction. Chem. Eng., 176, 264-269, 2018. [doi.org/10.1016/j.ces.2017.10.033]


Mansour, M.; Janiga, G.; Nigam, K.D.P.; Thevenin, D.; Zahringer, K. Numerical Study of heat transfer and thermal homogenization in a helical reactor. Chem. Eng., 177, 369-379, 2018. [doi.org/10.1016/j.ces.2017.11.031]


Mansour, M.; Khot, P.; Thévenin, D.; Nigam, K. D. P.; Zähringer, K. Optimal Reynolds number for liquid-liquid mixing in helical pipes. Chemical Engineering Science, in press, 2018. [doi.org/10.1016/j.ces.2018.09.046]


McBride, K.; Linke, S.; Xu, S.; Sundmacher, K. Computer Aided Design of Green Thermomorphic Solvent Systems for Homogeneous Catalyst Recovery. Computer Aided Chemical Engineering, 44, 1783-1788, 2018. [doi.org/10.1016/B978-0-444-64241-7.50292-5]


Melnikov, S. M.; Stein, M. Solvation and Dynamics of CO2 in Aqueous Alkanolamine Solutions. ACS Sustainable Chem. Eng. 2018. [DOI: 10.1021/acssuschemeng.8b04666]


Mertens, N.; Kunde, C.; Kienle, A.; Michaels, D. Monotonic reformulation and bound tightening for global optimization of ideal multicomponent distillation columns. Optim. Eng., 19(2), 479-514, 2018. [https://doi.org/10.1007/s11081-018-9377-6]


Misra, A.; Bonamy, C.; Medeiros de Souza, L.; Hohl, L.; Illner, M.; Kraume, M.; Repke, J.-U.; Thévenin, D. A multi-fluid approach to simulate separation of liquid-liquid systems in a gravity settler. Comput.-Aided Chem. Eng. 43, 31-36, 2018. [https://doi.org/10.1016/B978-0-444-64235-6.50008-5]


Peral, D.; Stehl, D.; Bibouche, B.; Yu, H.; Mardoukh, J.; Schomacker, R.; von Klitzing, R.; Vogt, D. Colloidal polymer particles as catalyst carriers and phase transfer agents in multiphasic hydroformylation reactions. J. Colloid Interface Sci., 513, 647-657. 2018. [https://doi.org/10.1016/j.jcis.2017.11.071]


Rätze, K. H. G.; Jokiel, M.; Kaiser, N. M.; Sundmacher, K. Cyclic Operation of a Semi-Batch Reactor for the Hydroformylation of Long-Chain Olefins and Integration in a Continuous Production Process. Chemical Engineering Journal, in press, 2018. [doi.org/10.1016/j.cej.2018.11.151]


Schmidt, M.; Deckwerth, J.; Schomäcker, R.; Schwarze, M. Alkaline Hydrolysis of methyl decanoate in surfactant based systems. J. Org. Chem., 83, 7398-7406, 2018. [DOI: 10.1021/acs.joc.8b00247]


Schmidt, M.; Urban, C.; Schmidt, S.; Schomäcker, R. Palladium-Catalyzed Hydroxycarbonylation of 1-Dodecene in Microemulsion Systems: Does Reaction Performance Care about Phase Behavior? ACS Omega, 3(10), 13355-13364, 2018. [doi.org/10.1021/acsomega.8b01708]


Waltermann, T.; Benfer, R.; Schlueter, S.; Reinhardt, A.; Knoesche, C.; Górak, A.; Skiborowski, M. Choosing the right model for distillation processes in packed columns: theory and experiments. Chemical Engineering Transactions, 69, 371-377, 2018. [DOI:10.3303/CET1869062]


Weigert, J.; Illner, M.; Esche, E.; Repke, J.-U. Development of a State Estimation Environment for the Optimal Control of a Mini-plant for the Hydroformylation in Microemulsions. Chem. Eng. Trans., 70, 973-978, 2018. [DOI: 10.3303/CET187016]


Zähringer, K.; Wagner, L.-M.; Thévenin, D.; Siegmund, P.; Sundmacher, K. Particle-image-velocimetry measurements in organic liquid multiphase systems for an optimal reactor design and operation. J. Visualization, 21(1), 5-17, 2018. [doi:10.1007/s12650-017-0435-5]


Zimmermann, P.; Walowski, C.; Enders, S. Impact of higher order diagrams on phase equilibrium calculations for small molecules using Lattice Cluster Theory. Journal of Chemical Physics, 148, 94103, 2018. [doi.org/10.1063/1.5012991]

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2017

Aydin, E.; Bonvin, D.; Sundmacher, K. Dynamic optimization of constrained semi-batch processes using Pontryagin's minimum principle - An effective quasi-Newton approach. Comp. Chem. Eng., 99, 135-144, 2017. [https://doi.org/10.1016/j.compchemeng.2017.01.019]


Benski, F.; Nentwich, C.; Engell, S. Optimization-based early phase design of a homogeneously catalysed process in a themomorphic solvent system. Comput.-Aided. Chem. Eng., 40, 715-720, 2017. [https://doi.org/10.1016/B978-0-444-63965-3.50121-5]


Butz, J.; Zimmermann, P.; Enders, S. Impact of the equation of state on calculated adsorption isotherm using DFT. Chem. Eng. Sci., 171, 513-519, 2017. [https://doi.org/10.1016/j.ces.2017.06.019]


Bublitz, S.; Esche, E.; Tolksdorf, G.; Mehrmann, V. Analysis and Decomposition for Improved Convergence of Nonlinear Process Models in Chemical Engineering. Chem. Eng. Tech., 171, 513-519, 2017. [https://doi.org/10.1002/cite.201700041]


Cadavid, J.L., Hernandez, R., Engell, S. Speed-up of iterative Real-Time Optimization by Estimating the Steady States in the Transient Phase using Nonlinear System Identification. IFAC-PapersOnLine, 50:1, 11269-11274, 2017. [doi: 10.1016/j.ifacol.2017.08.1626]


Dreimann, J. M.; Hoffmann, F.; Skiborowski, M.; Behr, A.; Vorholt, A. J. Merging Thermomorphic Solvent Systems and Organic Solvent Nanofiltration for Hybrid Catalyst Recovery in a Hydroformylation Process. Ind. Eng. Chem. Res., 56(5), 1354-1359, 2017. [doi: 10.1021/acs.iecr.6b04249]


Dreimann, J. M.; Fassbach, T. A.; Fuchs, S.; Fuerst, M. R. L.; Geide, T.; Kuhlmann, R.; Ostrowski, K. A.; Stadler, A.; Sidensticker, T.; Vogelsang, D.; Warmeling, H. V. F.; Vorholt, A. J. From Lab Curiosity to a Continuously Operated Process: Development of Thermomorphic Solvent Systems. Chem. Eng. Tech., 89, 252-262, 2017. [doi:10.1002/cite.201600119]


Esche, E.; Hoffmann, C.; Illner, M.; Müller, D.; Fillinger, S.; Tolksdorf, G.; Bonart, H.; Wozny, G.; Repke, J.-U. MOSAIC – Enabling Large-Scale Equation-Based Flow Sheet Optimization. Chem. Ing. Tech., 89(5), 620-635, 2017. [doi: 10.1002/cite.201600114]


Faßbach, T. A.; Gaide, T.; Terhorst, M.; Behr, A.; Vorholt, A. J. Renewable Surfactants through the Hydroaminomethylation of Terpenes. ChemChatChem, 9(8), 1359-1362, 2017. [doi: 10.1002/cctc.201700097]


Furst, M. R. L.; Korkmaz, V.; Gaide, T.; Seidensticker, T.; Behr, A.; Vorholt, A. J. Tandem Reductive Hydroformylation of Castor Oil Derived Substrates and Catalyst Recycling by Selective Product Crystallization. ChemPubSoc, 8, 4319-4323, 2017. [https://doi.org/10.1002/cctc.201700965 ]


Gaide, T.; Bianga, J.; Schlipköter, K.; Behr, A.; Vorholt, A. J. Linear Selective Isomerization/Hydroformylation of Unsaturated Fatty Acid Methyl Esters: A Bimetallic Approach. ACS Catal., 7, 4163-4171, 2017. [doi: 10.1021/acscatal.7b00249]


Gaide, T.; Jörke, A.; Schlipköter, K.E.; Hamel, C.; Seidel-Morgenstern, A.; Behr, A.; Vorholt, A. J. Isomerization/hydroformylation tandem reaction of a decene isomeric mixture with subsequent catalyst recycling in thermomorphic solvent systems. Appl. Catal., A, 532, 50-56, 2017. [doi: http://doi.org/10.1016/j.apcata.2016.12.011]


Gao, W.; Hernandez, R.; Engell, S. Real-time optimization of a novel hydroformylation process by using transient measurements in modifier adaptation. IFAC Conference Paper Archive, 50(1), 5731-5736, 2017. [https://doi.org/10.1016/j.ifacol.2017.08.1128]


Gerlach, M.; Wajid, D. A.; Hilfert, L.; Edelmann, F. T.; Seidel-Morgenstern, A.; Hamel, C. Impact of minor amounts of hydroperoxides on rhodium-catalyzed hydroformylation of long-chain olefins. Catal. Sci. Technol., 7, 1465-1469, 2017. [doi: 10.1039/C7CY00244K]


Goetsch, T.; Danzer, A.; Zimmermann, P.; Kohler, A.; Kissing, K.; Enders, S.; Zeiner, T. Liquid-Liquid Equilibrium and Interfacial Tension of Hexane Isomers-Methanol Systems. Ind. Eng. Chem. Res., 56, 9743-9752, 2017. [doi: 10.1021/acs.iecr.7b02099]


Hohl, L.; Knossalla, M.; Kraume, M. Influence of dispersion conditions on phase separation in liqiud mutliphase systems. Ind. Eng. Chem. Res., 171, 76-87, 2017. [doi.org/10.1016/j.ces.2017.05.005]


Goetsch, T.; Zimmermann, P.; van den Bongard, R.; Enders, S.; Zeiner, T. Superposition of Liquid–Liquid and Solid–Liquid Equilibria of Linear and Branched Molecules: Ternary Systems. Ind. Eng. Chem. Res., 56(1), 417-423, 2017. [doi: 10.1021/acs.iecr.6b04253]


Janiga, G.; Stucht, D.; Bordás, R.; Temmel, E.; Seidel-Morgenstern, A.; Thévenin, D.; Speck, O. Non-invasive 4D flow characterization in a stirred tank via phase-contrast magnetic resonance imaging. Chem. Eng. Tech., 40, 1370–1327, 2017. [doi: 10.1002/ceat.201700067]


Jokiel, M.; Wagner, L.-M.; Mansour, M.; Kaiser, N. M.; Zähringer, K.; Janiga, G.; Nigam, K. D. P.; Thévenin, D.; Sundmacher, K. Measurement and simulation of mass transfer and backmixing behavior in a gas-liquid helically coiled tubular reactor. Chem. Eng. Sci., 170, 410-421 2017. [doi: https://doi.org/10.1016/j.ces.2017.01.027]


Jörke, A.; Gaide, T.; Behr, A.;Vorholt, A. J.; Seidel-Morgenstern, A.; Hamel, C. Hydroformylation and tandem isomerization–hydroformylation of n-decenes using a rhodium-BiPhePhos catalyst: Kinetic modeling, reaction network analysis and optimal reaction control. Chem. Eng. J., 313, 382-397, 2017. [doi: http://doi.org/10.1016/j.cej.2016.12.070]


Jörke, A.; Seidel-Morgenstern, A.; Hamel, C. Rhodium-BiPhePhos catalyzed hydroformylation studied by operando FTIR spectroscopy: Catalyst activation and rate determining step. J. Mol. Catal. A: Chem., 426, 10-14, 2017. [doi: http://dx.doi.org/10.1016/j.molcata.2016.10.028]


Kaiser, N.M., Jokiel, M., McBride, K.,  Flassig, R.J., Sundmacher, K. Optimal reactor design via Flux Profile Analysis for an Integrated Hydroformylation Process Using a Thermomorphic Solvent Systems for Catalyst Recovery. Ind. Eng. Chem. Res. 56, 11507-11518, 2017. [DOI:10.1021/acs.iecr.7b01939]


Keßler, T.; Mertens, N.; Kunde, C.; Nentwich, C.; Michaels, D.; Engell, S.; Kienle, A. Efficient global optimization of a novel hydroformylation process. Comput.-Aided. Chem. Eng., 40, 2113-2118, 2017. [doi: 10.1016/B978-0-444-63965-3.50354-8]


Kohls, E.; Stein, M. The thermochemistry of long chain olefin isomers during hydroformylation. New J. Chem., 15, 7347-7355, 2017. [doi: 10.1039/c7nj01396e]


Kohls, E.; Stein, M. Vibrational scaling factors for RH(I) carbonyl compounds in homogeneous catalysis. Contrib. - Maced. Acad. Sci. Arts, Sect. Nat., Math. Biotech. Sci, 38(1), 43-56, 2017. [doi:10.20903/csnmbs.masa.2017.38.1.100]


Kruber, K. F.; Krapoth, M.; Zeiner, T. Interfacial mass transfer in ternary liquid-liquid systems. Fluid phase Equilibria, 440, 54-63, 2017. [doi.org/10.1016/j.fluid.2017.02.013]


Lemberg, M.; Sadowski, G. Predicting the solvent effect on esterification kinetics. Chem. Phys. Chem., 15, 1977-1980, 2017. [https://doi.org/10.1002/cphc.201700507]


Lemberg, M.; Sadowski, G.; Gerlach, M.; Kohls, E.; Stein, M.; Hamel, C.; Seidel-Morgenstern, A. Predicting solvent effects on the 1-dodecene hydroformylation reaction equilibrium. AIChE J., 63(10), 4576-4585, 2017. [doi: 10.1002/aic.15782]


Mansour, M.; Liu, Z.; Janiga, G.; Nigam, K. D. P.; Sundmacher, K.; Thévenin, D.; Zähringer, K. Numerical study of liquid-liquid mixing in helical pipes. Chem. Eng. Sci., 172, 250-261, 2017. [doi: https://doi.org/10.1016/j.ces.2017.06.015]


Mertens, N.; Kunde, C.; Kienle, A.; Michaels, D. Global optimization of ideal mulit-component distillation columns. Ergebnisberichte des Instituts für Angewandte Mathematik, 567, 2017. [http://dx.doi.org/10.17877/DE290R-17988]


Meyer, K.; Ruiken, J-P.; Illner, M.; Paul, A.; Müller, D.; Esche, E.; Wozny, G.; Maiwald, M. Process spectroscopy in microemulsions—setup and multi-spectral approach for reaction monitoring of a homogeneous hydroformylation process. Meas. Sci. Technol.; 28, 035501, 2017. [doi: http://dx.doi.org/10.1088/1361-6501/aa54f3]


Misra, A.; de Souza, L. G. M.; Illner, M; Hohl, L.; Kraume, M.; Repke, J.-U.; Thévenin, D. Simulating separation of a multiphase liquid-liquid system in a horizontal settler by CFD. Chem. Eng. Sci., 167, 242-250, 2017. [doi: http://doi.org/10.1016/j.ces.2017.03.062]


Müller, D.; Illner, M.; Esche, E.; Pogrzeba, T.; Schmidt, M.; Schomäcker, R.; Biegler, L. T.; Wozny, G.; Repke, J-U. Dynamic real-time optimization under uncertainty of a hydroformylation mini-plant. Comp. Chem. Eng., 106, 836-848, 2017. [doi: https://doi.org/10.1016/j.compchemeng.2017.01.041]


Paul, A.; Meyer, K.; Ruiken, J.-P.; Illner, M.; Müller, D.-N.; Esche, E.; Wozny, G.; Westad, F.; Maiwald, M. Process spectroscopy in microemulsions—Raman spectroscopy for online monitoring of a homogeneous hydroformylation process. Meas. Sci. Technol., 28, 035502, 2017. [doi: http://dx.doi.org/10.1088/1361-6501/aa54f0]


Petzold, M.; Rohl, S.; Hohl, L.; Stehl, D.; Lehmann, M.; von Klitzing, R.; Kraume, M. Mass Transfer and Drop Size Distributions in Reactive Nanoparticle-Stabilized Multiphase Systems. Chem. Ing. Tech., 89(11), 1561-1573, 2017. [doi: 10.1002/cite.201700060]


Pogrzeba, T.; Illner, M.; Schmidt, M.; Repke, J.-U. Microemulsion Systems as Switchable Reaction Media for the Catalytic Upgrading of Long-Chain Alkenes. Chem. Ing. Tech., 89(4), 459-463, 2017. [doi: 10.1002/cite.201600140]


Pogrzeba, T.; Schmidt, M.; Milojevic, N.; Urban, C.; Illner, M.; Repke, J.-U.; Schomäcker, R. Understanding the Role of Nonionic Surfactants during Catalysis in Microemulsion Systems on the Example of Rhodium-Catalyzed Hydroformylation. Ind. Eng. Chem. Res., 56(36), 9934-9941, 2017. [doi: 10.1021/acs.iecr.7b02242]


Scharzec, B.; Waltermann, T.; Skiborowski, M. A Systematic Approach towards Synthesis and Design of Pervaporation-Assisted Separation Processes. Chem. Eng. Tech., 11, 1534–1549, 2017. [doi.org/10.1002/cite.201700079]


Schmidt, M.; Burgert, B.; Szilvási, T.; Schomäcker, R.; Driess, M.: Improving the Catalytic Activity in the Rhodium-Mediated Hydroformylation of Styrene by a Bis(N-heterocyclic silylene) Ligand. Eur. J. Inorg. Chem., 9, 1284-1291, 2017. [doi: 10.1002/ejic.201700148]


Schmidt, M.; Pogrzeba, T.; Hohl, L.; Weber, A.; Kielholz, A.; Kraume, M.; Schomäcker, R.: Palladium catalyzed methoxycarbonylation of 1-dodecene in biphasic systems - Optimization of catalyst recycling. Mol. Catal., 439, 1-8, 2017. [doi:org/10.1016/j.mcat.2017.06.014]


Schwarze, M. Micellar-enhanced ultrafiltration (MEUF) – state of the art. Environ. Sci.: Water Res. Technol., 3, 598-624, 2017. [doi: 10.1039/C6EW00324A]


Skale, T.; Hohl, L.; Kraume, M.; Drews, A. Feasibility of w/o Pickering emulsion ultrafiltration. J. Membr. Sci ., 535, 1-9, 2017. [doi.org/10.1016/j.memsci.2017.04.006]


Vogelsang, D.; Dreimann, M., J.; Wenzel, D.; Peeva, L.; Burgal, J.; Livingston,G.A; Behr,A; Vorholt, A. J. Continuously Operated Hydroamination -Toward Highl Catalytic Performance via Nano filtration in a membrane Reactor. Ind. Eng. Chem. Res., 56, 13634-13641, 2017. [doi: 10.1021/acs.iecr.7b03770]


Von Klitzing, R.; Stehl, D.; Pogrzeba, T.; Schomäcker, R.; Minullina, R.; Panchal, A.; Konnova, S.; Fakhrullin, R. Koetz, J.; Möhwald, H.; Lvov, Y. Halloysites Stabilized Emulsions for Hydroformylation of Long Chain Olefins. Adv. Mater. Interfaces, 4(1), 1600435, 2017. [doi: 10.1002/admi.201600435]


Zedel, D.; Kraume, M.; Drews, A. Modelling and prediction of organic solvent flux and retention of surfactants by organic solvent nanofiltration. J. Membr. Sci., 544, 323-332, 2017. [doi: https://doi.org/10.1016/j.memsci.2017.09.041]


Zhou, T.; Zhou, Y.; Sundmacher, K. A hybrid stochastic–deterministic optimization approach for integrated solvent and process design. Chem. Eng. Sci., 159, 207-216, 2017. [doi: http://dx.doi.org/10.1016/j.ces.2016.03.011]


Zimmermann, P.; Goetsch, T.; Enders, S. Modelling of adsorption isotherms of isomers using density functional theory. Mol. Phys., 115(9-12), 1389-1407, 2017. [doi: http://dx.doi.org/10.1080/00268976.2017.1298861]

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2016

Böhm, L.; Brehmer, M; Kraume, M. Comparison of the Single Bubble Ascent in a Newtonian and a Non-Newtonian Liquid: A Phenomenological PIV Study. Chem. Ing. Tech., 88(1-2), 93–106, 2016. [doi:10.1002/cite.201500105]


Dreimann, J. M.; Lutze, P.; Zagajewski, M.; Behr, A.; Górak, A.; Vorholt, A. J. Highly integrated reactor–separator systems for the recycling of homogeneous catalysts. Chem. Eng. Process., 99, 124-131, 2016. [doi:10.1016/j.cep.2015.07.019]


Dreimann, J. M.; Skiborowski, M.; Behr, A.; Vorholt, A. J. Recycling Homogeneous Catalysts Simply by Organic Solvent Nanofiltration: New Ways to Efficient Catalysis. ChemCatChem, 8, 3330-3333, 2016. [doi/10.1002/cctc.201601018]


Dreimann, J. M.; Vorholt, A.; Skiborowski, M.; Behr, A. Removal of Homogeneous Precious Metal Catalysts via Organic Solvent Nanofiltration. Chem. Eng. Trans., 47, 343-348, 2016. [doi:0.3303/CET1647058]


Dreimann, J. M.; Warmeling, H.; Weimann, J. N.; Künnemann, K.; Behr, A.; Vorholt, A. J. Increasing selectivity of the hydroformylation in a miniplant: Catalyst, solvent, and olefin recycle in two loops. AIChE J., 62(12), 4377-4383, 2016. [doi:10.1002/aic.15345]


Esche, E.; Müller, D.; Werk, S.; Grossmann, I. E.; Wozny, G. Solution of Chance-Constrained Mixed-Integer Nonlinear Programming Problems. Comput.-Aided Chem. Eng., 38, 91-96, 2016. [doi: https://doi.org/10.1016/B978-0-444-63428-3.50020-5]


Gaide, T.; Behr, A.; Arns, A.; Benski, F.; Vorholt, A. J. Hydroesterification of methyl 10-undecenoate in thermomorphic multicomponent solvent systems - Process development for the synthesis of sustainable polymer precursors. Chem. Eng. Process., 99, 197-204, 2016. [doi:10.1016/j.cep.2015.07.009]


Gaide, T.; Behr, A.; Terhorst, M.; Arns, A.; Benski, F.; Vorholt, A. J. Katalysatorvergleich bei der Hydroesterifizierung von 10-Undecensäure-methylester in thermomorphen Lösungsmittelsystemen. Chem. Ing. Tech., 88(1-2), 158–167, 2016. [doi:10.1002/cite.201500096] 


Gaide, T.; Dreimann, J.; Behr, A.; Vorholt, A. J. Overcoming Phase-Transfer Limitations in the Conversion of Lipophilic Oleo Compounds in Aqueous Media-A Thermomorphic Approach. Angew. Chem. Int. Ed., 55(8), 2924-2928, 2016. [doi:10.1002/anie.201510738]


Gaide, T.; Dreimann, J.; Behr, A.; Vorholt, A. J. Überwindung von Phasentransportlimitierungen in der Umsetzung lipophiler Oleoverbindungen in wässrigen Medien – ein temperaturgesteuerter Ansatz. Angew. Chem., 128(8), 2977-2981, 2016. [doi:10.1002/ange.201510738]


Gao, W.; Hernández, R.; Engell, S. A Study of Explorative Moves during Modifier Adaptation with Quadratic Approximation. Processes, 4(45), 2016. [doi:10.3390/pr4040045]


Gao, K.; Yang, J.; Seidel-Morgenstern, A.; Hamel, C. Methane Dehydro-Aromatization: Potential of a Mo/MCM-22 Catalyst and Hydrogene-Selective Membranes. Chem. Ing. Tech., 88(1-2), 168–176, 2016. [doi:10.1002/cite.201500139]


Goetsch, T.; Zimmermann, P.; Enders, S.; Zeiner, T. Tuneable extraction systems based on hyperbranched polymers. Chem. Eng. Process., 99, 175-182, 2016. [doi:10.1016/j.cep.2015.07.021]


Goetsch, T.; Zimmermann, P.; van den Bongard, R.; Enders, S.; Zeiner, T. Superposition of Liquid-Liquid and Solid-Liquid Equilibria of Linear and Branched Molecules: Binary Systems. Ind. Eng. Chem. Res., 55(42), 11167-11174, 2016. [doi: 10.1021/acs.iecr.6b02798]


Hernández, R.; Engell, S. Modelling and iterative Real-time Optimization of a homogeneously catalyzed hydroformylation process. Comput.-Aided Chem. Eng., 38, 1-6, 2016. [doi: https://doi.org/10.1016/B978-0-444-63428-3.50005-9]


Hoffmann, C.; Illner, M.; Müller, D.; Esche, E.; Wozny, G.; Biegler, L. T.; Repke, J.-U. Moving-horizon State Estimation with Gross Error Detection for a Hydroformylation Mini-plant. Comput.-Aided Chem. Eng., 38, 1485-1490, 2016. [doi: https://doi.org/10.1016/B978-0-444-63428-3.50252-6]


Hohl, L.; Paul, N.; Kraume, M. Dispersion conditions and drop size distributions in stirred micellar multiphase systems. Chem. Eng. Process., 99, 149-154, 2016. [doi:10.1016/j.cep.2015.08.011] 


Hohl, L.; Röhl, S.; Stehl, D.; von Klitzing, R.; Kraume, M. Influence of Nanoparticles and Drop Size Distributions on the Rheology of w/o Pickering Emulsions. Chem. Ing. Tech., 88(11), 1815-1826, 2016. [doi:10.1002/cite.201600063]


Hohl, L.; Schulz, J.; Paul, N.; Kraume, M. Analysis of physical properties, dispersion conditions and drop size distributions in complex liquid/liquid systems. Chem. Eng. Res. Des., 108, 210-216, 2016. [doi:10.1016/j.cherd.2016.01.010]


Illner, M.; Müller, D.; Esche, E.; Pogrzeba, T.; Schmidt, M.; Schomäcker, R.; Wozny, G.; Repke, J. U. Hydroformylation in Microemulsions: Proof of Concept in a Miniplant. Ind. Eng. Chem. Res., 55, 8616-8626, 2016. [doi:10.1021/acs.iecr.6b00547]


Jörke, A.; Kohls, E.; Triemer, S.; Seidel-Morgenstern, A.; Hamel, C.; Stein, M. Resolution of Structural Isomers of Complex Reaction Mixtures in Homogeneous Catalysis. Chem. Eng. Process., 102, 229-237, 2016. [doi:10.1016/j.cep.2016.01.001]


Kaiser, M. N.; Flassig, J. R.; Sundmacher, K. Design and Comparison of Optimal Reactor Concepts for the Hydroformylation of Olefins by Use of a Probabilistic Design Framework. 26th European Symposium on Computer Aided Process Engineering. 1365-1370, 2016.
[http://hdl.handle.net/11858/00-001M-0000-002B-0FC8-7]


Kaiser, M. N.; Flassig, J. R.; Sundmacher, K. Probabilistic reactor design in the framework of elementary process functions. Comp. Chem. Eng., 94, 45-59, 2016. [doi.org/10.1016/j.compchemeng.2016.06.008]


Kasaka, Y.; Bibouche, B.; Volovych, I.; Schwarze, M.; Schomäcker, R. Investigation of phase behaviour of selected chemical reaction mixtures in microemulsions for technical applications. Colloids Surf. A, 494, 49-58, 2016. [doi:10.1016/j.colsurfa.2016.01.01]


Kiedorf, G.; Wolff, T.; Seidel-Morgenstern, A.; Hamel, C. Kinetic Analysis oft he Hydrocarbon Total Oxidation Using Individually Measured Adsorption Isotherms. Chem. Ing. Tech., 88(11), 1746-1760, 2016. [doi: 10.1002/cite.201600043]


Kunde, C.; Michaels, D.; Micovic, J.; Lutze, P.; Górak, A.; Kienle, A. Deterministic global optimization in conceptual process design of distillation and melt crystallization. Chem. Eng. Process., 99, 132-142, 2016. [doi:10.1016/j.cep.2015.09.010]


Lemberg, M.; Sadowski, G. Phase Equilibria for the Hydroesterification of 10-Undecenoic Acid Methyl Ester. J. Chem. Eng. Data., 61(9), 3317-3325, 2016. [doi:10.1021/acs.jced.6b0036]


López C., D.C.; Wozny, G.; Flores-Tlacuahuac, A.; Vasquez-Medrano, R.; Zavala, V. M. A Computational Framework for Identifiability and Ill-Conditioning Analysis of Lithium-Ion Battery Models. Ind. Eng. Chem. Res., 55, 3026-3042, 2016. [doi:10.1021/acs.iecr.5b03910]


McBride, K.; Gaide, T.; Vorholt, A. J.; Behr, A.; Sundmacher, K. Thermomorphic solvent selection for homogeneous catalyst recovery based on COSMO-RS. Chem. Eng. Process., 99, 97-106, 2016. [doi:10.1016/j.cep.2015.07.004]


McBride, K.; Kaiser, N. M.; Sundmacher, K. Integrated reaction-extraction process for the hydroformylation of long-chain alkenes with a homogeneuous catalyst. Comput. Chem. Eng., 2016.
[http://dx.doi.org/10.1016/j.compchemeng.2016.11.019]


Merchan, V. A.; Esche, E.; Fillinger, S.; Tolksdorf, G.; Wozny, G. Computer-Aided Process and Plant Development. A Review of Common Software Tools and Methods and Comparison against an Integrated Collaborative Approach. Chem. Ing. Tech., 88(1-2), 50–69, 2016. [doi: 10.1002/cite.201500099]


Merchan, V. A.; Wozny, G. Comparative evaluation of rigorous thermodynamic models for the description of the hydroformylation of 1-dodecene in a thermomorphic solvent system. Ind. Eng. Chem. Res., 55, 293-310, 2016. [doi:10.1021/acs.iecr.5b03328]


Mertens, N.; Kunde, C.; Kienle, A.; Michaels, D. A Reformulation Strategy for Deterministic Global Optimization of Ideal Multi-component Distillation Processes. Comp. Chem. Eng., 38, 691-696, 2016.
[http://dx.doi.org/10.1016/B978-0-444-63428-3.50120-X]


Müller, D.; Esche, E.; Illner, M.; Pogrzeba, T.; Schmidt, M.; Schomäcker, R.; Biegler, L. T.; Wozny, G. Dynamic Real-time Optimization Under Uncertainty of a Hydroformylation Mini-plant. Comput.-Aided Chem. Eng., 38, 2337-2342, 2016. [http://dx.doi.org/10.1016/B978-0-444-63428-3.50394-5]


Nentwich, C.; Engell, S. Application of surrogate models for the optimization and design of chemical processes. IJCNN, 1291-1296, 2016. [doi:10.1109/IJCNN.2016.7727346]


Paul, N.; Schulz, J. M.; Kraume, M. Determination of phase separation and mass transfer in complex micellar three phase systems. Chem. Eng. Process., 99, 143-148, 2016. [doi:10.1016/j.cep.2015.07.010]


Pogrzeba, T.; Müller, D.; Illner, M.; Schmidt, M.; Kasaka, Y.; Weber, A.; Wozny, G.; Schomäcker, R.; Schwarze, M. Superior catalyst recycling in surfactant based multiphase systems – Quo vadis catalyst complex? Chem. Eng. Process., 99, 155-166, 2016. [doi:10.1016/j.cep.2015.09.003]


Pogrzeba, T.; Schmidt, M.; Hohl, L.; Weber, A.; Buchner, G.; Schulz, J.; Schwarze, M.; Kraume, M.; Schomäcker, R. Catalytic reactions in aqueous surfactant-free multiphase emulsions. Ind. Eng. Chem. Res., 55(50), 12765-12775, 2016. [doi:10.1021/acs.iecr.6b03384]


Schmidt, M.; Pogrezba, T.; Stehl, D.; Sachse, R.; Schwarze, M.; von Klitzing, R.; Schomäcker, R. Verteilungsgleichgewichte von Liganden in mizellaren Lösungsmittelsystemen. Chem. Ing. Tech., 88(1-2), 119–127, 2016. [doi:10.1002/cite.201500125]


Seidensticker, T.; Vorholt, A. J.; Behr, A. The mission of addition and fission – catalytic functionalization of oleochemicals. Eur. J. Lipid Sci. Technol., 118(1), 3–25, 2016. [doi:10.1002/ejlt.201500190]


Skale, T.; Stehl, D.; Hohl, L.; Kraume, M.; von Klitzing, R.; Drews, A. Tuning Pickering Emulsions for Optimal Reaction and Filtration Conditions. Chem. Ing. Tech., 88(11), 1827-1832, 2016. [doi: 10.1002/cite.201600099]


Stehl, D.; Hohl, L.; Schmidt, M.; Hübner, J.; Lehmann, M.; Kraume, M.; Schomäcker, R.; von Klitzing, R. Characteristics of Stable Pickering Emulsions under Process Conditions. Chem. Ing. Tech., 88(11), 1806-1814, 2016. [doi: 10.1002/cite.201600065]


Steimel, J.; Engell, S. Optimization-based support for process design under uncertainty: A case study. AIChE J., 62(9), 3404-3419, 2016. [doi:10.1002/aic.15400]


Zagajewski, M.; Dreimann, J.; Thönes, M.; Behr, A. Rhodium catalyzed hydroformylation of 1-dodecene using an advanced solvent system: Towards highly efficient catalyst recycling. Chem. Eng. Process., 99, 115-123, 2016. [doi:10.1016/j.cep.2015.06.014]


Zedel, D.; Drews, A.; Kraume, M. Retention of surfactants by organic solvent nanofiltration and influences on organic solvent flux. Sep. Purif. Technol., 158, 396–408, 2016. [doi:10.1016/j.seppur.2015.12.040]


Zhou, T.; Wang, J.; McBride, K.; Sundmacher, K.Optimal design of solvents for extractive reaction processes. AIChE J., 62(9), 3238-3249, 2016. [https://doi.org/10.1002/aic.15360]


Zimmermann, P.; Goetsch, T.; Zeiner, T.; Enders, S. Prediction of adsorption isotherms on n-aldehydes mixtures using density functional theory in combination with Peng-Robinson equation of state. Fluid Phase Equilib., 424, 173-181, 2016. [doi:10.1016/j.fluid.2016.04.006]


Zinser, A.; Sundmacher, K. Dynamic Method for Computation of Thermodynamic Equilibria in Reactive Multiphase Systems. Chem. Ing. Tech., 88 (11), 1617-1627, 2016. [https://doi.org/10.1002/cite.201600070]

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2015

Ballerstein, M.; Kienle, A.; Kunde, C.; Michaels, D.; Weismantel, R. Deterministic Global Optimization of Binary Hybrid Distillation/Melt-Crystallization Processes Based on Relaxed MINLP Formulations. Optimization and Engineering,  16(2), 409-440, 2015. [doi:10.1007/s11081-014-9267-5]


Böhm, L.; Kraume, M. Fluid Dynamics of Bubble Swarms Rising in Newtonian and Non-Newtonian Liquids in Flat Sheet Membrane Systems. J. Membr. Sci., 475, 533-544, 2015. [doi:10.1016/j.memsci.2014.11.003]


Carl, A.; Bannuscher, A.; von Klitzing, R. Particle Stabilized Aqueous Foams at Different Length Scales: Synergy between Silica Particles and Alkylamines. Langmuir, 31(5), 1615–1622, 2015. [doi:10.1021/la503321m]


Carl, A.; Witte, J.; von Klitzing, R. A look inside particle stabilized foams-particle structure and dynamics. J. Phys. D: Appl. Phys., 48, 434003, 2015. [doi:10.1088/0022-3727/48/43/434003]


Chauhan, G.; Stein, M.; Seidel-Morgenstern, A.; Pant, K. K.; Nigam, K. D. P. The thermodynamics and biodegradability of chelating agents upon metal extraction. Chem. Eng. Sci., 137, 768-785, 2015. [doi:10.1016/j.ces.2015.07.02]


Fameau, A.-L.; Carl, A.; Saint-Jalmes, A.; von Klitzing, R. Responsive Aqueous Foams. ChemPhysChem, 16, 66-75, 2015. [doi:10.1002/cphc.201402580]


Hentschel, B.; Kiedorf, G.; Gerlach, M.; Hamel, C.; Seidel-Morgenstern, A.; Freund, H.; Sundmacher, K. Model-Based Identification and Experimental Validation of the Optimal Reaction Route for the Hydroformylation of 1-Dodecene. Ind. Eng. Chem. Res., 54(6), 1755-1765, 2015. [doi:10.1021/ie504388t]


Jörke, A.; Seidel-Morgenstern, A.; Hamel, C. Isomerization of 1-decene: Estimation of Thermodynamic Properties, Equilibrium Composition Calculation and Experimental Validation Using a Rh-Biphephos Catalyst. Chem. Eng. J., 260, 513-523, 2015. [doi:10.1016/j.cej.2014.09.015]


Jörke, A.; Triemer, S.; Seidel-Morgenstern, A.; Hamel, C. Kinetic Investigation Exploiting Local Parameter Subset Selection: Isomerization of 1-Decene using a Rh-Biphephos Catalyst. Chem. Ing. Tech., 87(6), 1-14, 2015. [doi:10.1002/cite.201400148]


Kunde, C.; Kienle, A. Deterministic Global Optimization of Multistage Melt Crystallization Processes in Hydroformylation. Comput.-Aided Chem. Eng., 37, 1061–1066, 2015. [doi:10.1016/B978-0-444-63577-8.50022-X]


López C., D.C.; Barz, T.; Körkel, S.; Wozny, G. Nonlinear Ill-Posed Problem Analysis in Model-Based Parameter Estimation and Experimental Design. Comput. Chem. Eng., 77, 24-42, 2015. [doi:10.1016/j.compchemeng.2015.03.002]


McBride, K.; Sundmacher, K. Data Driven Conceptual Process Design for the Hydroformylation of 1-Dodecene in a Thermomorphic Solvent System. Ind. Eng. Chem. Res., 54(26), 6761–6771, 2015. [doi:10.1021/acs.iecr.5b00795]


Müller, D.; Esche, E.; Pogrzeba, T.; Illner, M.; Leube, F.; Schomäcker, R.; Wozny, G. Systematic Phase Separation Analysis of Surfactant-Containing Systems for Multiphase Settler Design. Ind. Eng. Chem. Res., 54(12), 3205-3217, 2015. [doi:10.1021/ie5049059]


Müller, D.; Esche, E.; Werk, S.; Wozny, G. Dynamic Chance-Constrained Optimization under Uncertainty on Reduced Parameter Sets. Comput.-Aided Chem. Eng., 37, 725-730, 2015. [doi:10.1016/B978-0-444-63578-5.50116-X]


Nguyen, L. A. T.; Schwarze, M.; Schomäcker, R. Adsorption of non-ionic surfactant from aqueous solution onto various ultrafiltration membranes. J. Membr. Sci., 493, 120-133, 2015. [doi:10.1016/j.memsci.2015.06.026]


Paul, N.; Kraume, M.; Schön, S.; von Klitzing, R. Transport processes at single droplets in micellar liquid/liquid systems. AIChE J., 61(3), 1092–1104, 2015. [doi: 10.1002/aic.14699]


Paul, N.; Schulz, J. M.; Kraume, M. Fluid Dynamics of Droplets as a Useful Tool to Determine Coverage and Adsorption Kinetics of Surfactants. Chem. Eng. Technol., 38(11), 1979–1984, 2015. [doi:10.1002/ceat.201500137]


Pogrzeba, T.; Müller, D.; Hamerla, T.; Esche, E.; Paul, N.; Wozny, G.; Schomäcker, R. Rhodium-Catalyzed Hydroformylation of Long-Chain Olefins in Aqueous Multiphase Systems in a Continuously Operated Miniplant. Ind. Eng. Chem. Res., 54(48), 11953-11960, 2015. [doi:10.1021/acs.iecr.5b01596]


Riechert, O.; Husham, M.; Sadowski, G.; Zeiner, T. Solvent effects on esterification equilibria. AIChE J., 61(9), 3000–3011, 2015. [doi:10.1002/aic.14873]


Schwarze, M.; Pogrzeba, T.; Seifert, K.; Hamerla, T.; Schomäcker, R. Recent Developments in Hydrogenation and Hydroformylation in Surfactant Systems. Catal. Today, 247, 55-63, 2015. [doi:10.1016/j.cattod.2014.06.026]


Schwarze, M.; Pogrzeba, T.; Volovych, I.; Schomäcker, R. Microemulsion Systems for Catalytic Reactions and Processes. Catal. Sci. Technol., 5,  24-33, 2015. [doi:10.1039/C4CY01121J]


Steimel, J.; Engell, S. Conceptual design and optimization of chemical processes under uncertainty by two-stage programming. Comput. Chem. Eng., 81, 200–217, 2015. [doi:10.1016/j.compchemeng.2015.05.016]


Zhou, T.; Lyu, Z.; Qi, Z.; Sundmacher, K. Robust design of optimal solvents for chemical reactions - A combined experimental and computational strategy. Chem. Eng. Sci., 137, 613-625, 2015. [doi:10.1016/j.ces.2015.07.010] 


Zhou, T.; McBride, K.; Zhang, X.; Qi, Z.; Sundmacher, K. Integrated solvent and process design exemplified for a Diels-Alder reaction. AIChE J., 61(1), 147-158, 2015. [doi:10.1002/aic.14630]

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2014

Ballerstein, M., Michaels, D.: Extended Formulations for Convex Envelopes, J. Global Optim., 60(2), 217-238, 2014. [doi:10.1007/s10898-013-0104-8]


Beierling, T. , Micovic, J., Lutze, P., Sadowski, G.: Using Complex Layer Melt Crystallization Models for the Optimization of Hybrid Distillation/melt Crystallization Processes, Chem. Eng. Pro., 85, 10-23, 2014. [doi:10.1016/j.cep.2014.07.011]


Böhm, L., Jankhah, S., Tihon, J., Bérubé, P., Kraume, M.: Application of the Electrodiffusion Method to Measure Wall Shear Stress: Intergrating Theory and Practice, Chem. Eng. Technol., 37(6), 938-950, 2014. [doi.org/10.1002/ceat.201400026]


Böhm, L., Kurita, T., Kimura, K., Kraume, M.: Rising Behaviour of Single Bubbles in Narrow Rectangular Channels in Newtonian and Non-Newtonian Liquids, Int. J. Multi Flow, 65, 11-23, 2014. [doi:10.1016/j.ijmultiphaseflow.2014.05.001]


Drews, A., Schumacher, L., Skale, T., Zedel, D.: Filterability of w/o Pickering Emulsions in Multiphase Reactions Systems, Proceedings of 20th International Conference of Process Engineering and Chemical Plant Design 2014, 235-241, Berlin, 2014.


Esche, E., Müller, D., Kraus, R., Wozny, G.: Systematic Approaches for Model Derivation for Optimization Purposes, Chem. Eng. Sci., 115, 215-224, 2014. [DOI: 10.1016/j.ces.2013.11.041]


Esche, E., Müller, D.,Tolksdorf, G., Kraus, R., Wozny, G.: MOSAIC: An Online Modeling Platform Supporting Automatic Discretization of Partial Differential Equation Systems, Computer-Aided Chemical Engineering, 693-698, 2014. [doi.org/10.1016/B978-0-444-63433-7.50100-0]


Esche, E., Müller, D., Wozny, G.: Systematic Modeling for Optimization, Computer-Aided Chemical Engineering, 267-272, 2014. [doi.org/10.1016/B978-0-444-63433-7.50101-2]


Fügenschuh, A., Hayn, C., Michaels, D.: Mixed-integer Linear Methods for Layout-optimization of Screening Systems in Recovered Paper Production, Optimization and Engineering, 15(2), 533-573, 2014. [DOI: 10.1007/s11081-014-9249-7]


Hentschel, B., Freund, H., Sundmacher, K.: Modellbasierte Ermittlung der optimalen Reaktionsführung für integrierte Mehrphasenprozesse, Chemie Ingenieur Technik, 86, 1080-1087, 2014. [DOI:10.1002/cite.201400006]


Hentschel, B., Peschel, A., Freund, H., Sundmacher, K.: Simultaneous Design of the Optimal Reaction and Process Concept for Multiphase Systems, Chem. Eng. Sci., 115, 69-87, 2014. [doi.org/10.1016/j.ces.2013.09.046]


Hentschel, B., Peschel, A., Xie, M., Vogelohl, C., Sadowski, G., Freund, H., Sundmacher, K.: Model-based Prediction of Optimal Conditions for 1-octene Hydroformylation, Chem. Eng. Sci., 115, 58-68, 2014. [DOI: 10.1016/j.ces.2013.03.051]


Karst, F., Freund, H., Maestri, M., Sundmacher, K.: Multiscale Chemical Process Design Exemplified for a PEM Fuel Cell Process, Chem. Ing. Tech., 86, 2075-2088, 2014. [DOI: 10.1002/cite.201400127]


Kiedorf, G., Hoang Minh, D., Müller, A., Jörke, A., Markert, J., Arellano-Garcia, H., Seidel-Morgenstern, A., Hamerla, C.: Kinetics of 1-dodecene Hydroformylation in a Thermomorphic Solvent System Using a Rhodium-biphephos Catalyst, Chem. Eng. Sci., 115, 31-48, 2014. [DOI: 10.1016/j.ces.2013.06.027]


Kraus, R., Fillinger, S., Tolksdorf, G., Hoang Minh, D., Merchan, V.A., Wozny, G.: Improving Model and Data Integration Using MOSAIC as Central Data Management Platform, Chemie Ingenieur Technik, 86(7), 1130-1136, 2014. [DOI:10.1002/cite.201400007]


Merchan, V.A., Tolksdorf, G., Kraus, R., Wozny, G.: Extending Documentation-Based Models towards an Efficient Integration into Commercial Process Simulators, Chemie Ingenieur Technik, 86(7), 1117-1129, 2014. [DOI: 10.1002/cite.201400014]


Meyer, K., Zientek, N., Maiwald, M., Kraemer, B., Esche, E., Müller, D., Wozny, G.: Eine robuste Prozessanalytik für die CO2-Abtrennung industrieller Gasströme basierend auf  Online-NMR- und -Raman-Spektroskopie, Chemie Ingenieur Technik, 86 (9), 1579, 2014. [DOI: 10.1002/cite.201450076]


Micovic, J., Werth, K., Lutze, P.: Hybrid Separations Combining Distillation and Organic Solvent Nanofiltration for Separation of Wide Boiling Mixtures, Chemical Engineering Research and Design, 92(11), 2131-2147, 2014. [DOI: 10.1016/j.cherd.2014.02.012]


Müller, D., Esche, E., Diana, C., López, C., Wozny, G.: An Algorithm for the Identification and Estimation of Relevant Parameters for Optimization under Uncertainty, Computers & Chemical Engineering, 71(4), 94-103, 2014. [doi:10.1016/j.compchemeng.2014.07.007]


Müller, D., Esche, E., Diana, C., López, C., Wozny, G.: Systematic Parameter Selection for Optimization under Uncertainty, Computer-Aided Chemical Engineering, 717-722, 2014. [doi.org/10.1016/B978-0-444-63433-7.50104-8]


Müller, D., Esche, E., Pogrzeba, T., Hamerla, T., Barz, T., Schomäcker, R., Wozny, G: Hydroformylation of 1-dodecene in Microemulsions: Long-Term Mini-plant Operation Results, Conference Proceedings, 15-24, 2014.


Müller, D., Hoang Minh, D., Merchan, V.A., Arellano-Garcia, H., Kasaka, Y., Müller, M., Schomäcker, R., Wozny, G.: Towards a Novel Process Concept for the Hydroformylation of Higher Alkenes: Mini-plant Operation Strategies via Model Development and Optimal Experimental Design, Chem.Eng.Science, 115, 127-138, 2014. [DOI: 10.1016/j.ces.2013.05.022]


Müller, D., Illner, M., Fleck, A., Esche, E., Barz, T., Schomäcker, R., Wozny, G.: Enabling Online-Optimization for a Multiphase System in a Hydroformylation Mini-plant, Conference Proceedings, 25-36, 2014.


Paul, N., Schrader, P., Enders, S., Kraume, M.: Effects of Phase Behaviour on Mass Transfer in Micellar Liquid/liquid Systems, Chemical Engineering Science, 2014. [doi.org/10.1016/j.ces.2013.02.018]


Pogrzeba, T., Hamerla, T., Müller, D., Wozny, G., Schomäcker, R.: Kontinuierliche Hydroformylierung von 1-Dodecen in wässrigen Mehrphasensystemen mit nichtionischen Tensiden, Chem. Ing. Tech.,  86, 1507-1508, 2014. [DOI: 10.1002/cite.201450078]


Pogrzeba, T., Hamerla, T., Schomäcker, R.: Rhodium-Catalyzed Hydroformylation of 1-Dodecene in Microemulsions Systems with Non-Ionic Surfactants, Conference Proceedings, 49-58, 2014.


Rost, A., Brunsch, Y., Behr, A., Schomäcker, R.: Comparison of the Activity of a Rhodium-Biphephos Catalyst in Thermomorphic Solvent Mixtures and Microemulsions, Chemical Engineering & Technology, 37(6), 1055-1064, 2014. [DOI: 10.1002/ceat.201400072]


Schäfer, E., Horbach, F., Enders, S.: Modeling of Liquid and Liquid Interfacial Properties of Binary and Ternary Mixtures, J. Chem. Eng. Data, 59(10), 3003–3016, 2014. [DOI: 10.1021/je500113q]


Schäfer, E., Sadowski, G., Enders, S.: Calculation of Complex Phase Equilibria of DMF/alkane Systems Using the PCP-SAFT Equation of State, Chem. Eng. Sci., 2014. [doi.org/10.1016/j.ces.2013.04.053]


Schäfer, E., Sadowski, G., Enders, S.: Interfacial Tension of Binary Mixtures Exhibiting Azeotropic Behavior: Measurement and Modeling with PCP-SAFT Combined with Density Gradient Theory, Fluid Phase Equilibria, 362, 151-162, 2014. [DOI: 10.1016/j.fluid.2013.09.042]


Schmidt, P., Bednarz, E. L., Lutze, P., Górak, A.: Characterisation of Organic Solvent Nanofiltration Membranes in Multi-component Mixtures: Process Design Workflow for Utilising Targeted Solvent Modifications, Chem. Eng. Sci., 115, 115-126, 2014. [DOI: 10.1016/j.ces.2014.03.029]


Schmidt, P., Micovic, J., Lutze, P., Górak, A.: Organophile Nanofiltration – Herausforderungen und Lösungsansätze zur Anwendung eines innovativen Membrantrennverfahrens, Chemie Ingenieur Technik, 86(5), 602-610, 2014. [DOI: 10.1002/cite.201300153]


Schrader, P., Paasche, C., Enders, S: Phase Behavior of Systems Containing Genapol X080® + Technical 1-dodecene + Water in Comparison with the Phase Behavior of Pure C12E8 + Pure 1-dodecene + Water, Chem. Eng. Sci., 2014. [doi.org/10.1016/j.ces.2013.04.030]


Skale, T., Zedel, D., Carl, A., Kraume, M., von Klitzing, R., Drews, A.: Einfluss von transmembraner Druckdifferenz, Partikelgehalt und Phasenanteil auf das Filtrationsverhalten von Pickering-Emulsionen, Chemie Ingenieur Technik, 86(9), 1528-1529, 2014. [DOI: 10.1002/cite.201450555]


Steimel, J., Harrmann, M., Schembecker, G., Engell, S.: A Framework for the Modeling and Optimization of Process Superstructures under Uncertainty, Chem. Eng. Sci., 115, 225-237, 2014. [DOI: 10.1016/j.ces.2013.04.052]


Sundmacher, K., Górak, A., Kraume, M., Wozny, G.: Special issue: InPROMPT - Integrated Chemical Processes with Liquid Multiphase Systems, Chem. Eng. Sci., 115, 1-2, 2014. [DOI: 10.1016/j.ces.2014.05.034]


Vogelpohl, C., Brandenbusch, C., Sadowski, G.: High-pressure Gas Solubility in Multicomponent Solvent Systems for Hydroformylation. Part II: Syngas SolubilityN. Sup. Sl., 88, 74-84, 2014.  [doi:10.1016/j.supflu.2014.01.017]


Wegener, M., Paul, N., Kraume, M.: Fluid Dynamics and Mass Transfer at Single Droplets in Liquid/liquid Systems, International Journal of Heat and Mass Transfer, 71, 475-495, 2014. [DOI: 10.1016/j.ijheatmasstransfer2013.12.024]


Zähringer, K., Wagner, L.-M., Kóvats, P., Thévenin, D.: Experimental characterization of the mass transfer from gas to liquids in a two-phase bubble column, 7th International Berlin Workshop on Transport Phenomena with Moving Boundaries and More, 2014.


Zähringer, K., Wagner, L.-M., Kóvats, P., Thévenin, D.: Experimentelle Charakterisierung des Stofftransports in Mehrphasenreaktoren durch Zwei-Farben-LIF, Chemie Ingenieur Technik, 8, 1527, 2014. [doi.org/10.1002/cite.201450120]


Zagajewski, M., Behr, A., Sasse, P., Wittmann, J.: Continuously Operated Miniplant for the Rhodium Catalyzed Hydroformylation of 1-dodecene in a Thermomorphic Multicomponent Solvent System, Chem. Eng. Sci., 115, 88-94, 2014. [DOI:10.1016/j.ces.2013.09.033]


Zagajewski, M., Dreimann, J., Behr, A.: Verfahrensentwicklung vom Labor zur Miniplant: Hydroformylierung von 1-Dodecen in thermomorphen Lösungsmittelsystemen, Chemie Ingenieur Technik, 86(4), 449-457, 2014. [DOI: 10.1002/cite.201300147]


Zedel, D., Drews, A., Kraume, M.: Comparison of Different Membranes for the Removal of Surfactants from Organic Solvents by Organic Solvent Nanofiltration, Proceedings of 20th International Conference of Process Engineering and Chemical Plant Design 2014, 235-241, Berlin, 2014.


Zhou, T., McBride, K., Zhang, X., Qi, Z., Sundmacher, K.: Integrated Solvent and Process Design Exemplified for a Diels–Alder Reaction, AIChE Journal, 61, 147–158, 2014. [doi.org/10.1002/aic.14630]

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2013

Baes, M., Oertel, T., Wagner, C., Weismantel, R.: Mirror-Descents Methods  in Mixed Integer Convex Optimization, Springer book series, Algorithms and Combinatorics, 2013. [doi.org/10.1007/978-3-642-38189-8_5]


Beierling, T., Osiander, J., Sadowski, G.: Melt Crystallization of Long-chain Aldehydes from Hydroformylation, Separation and Purification Technology, 2013. [doi.org/10.1016/j.seppur.2013.06.023]


Beierling, T., Sadwoski, G.: Modeling Growth Rates from Static Layer Melt Crystallization, Crystal Growth Design, 2013. [DOI:10.1021/cg400959a]


Bordás, R., Roloff, C., Thévenin, D., Shaw, R.A.: Experimental Determination of Droplet Collision Rates in Turbulence, New journal of physics, 2013. [doi:10.1088/1367-2630/15/4/045010]


Brunsch, Y., Behr, A.: Temperature-Controlled Catalyst Recycling in Homogeneous Transition-Metal Catalysis: Minimization of Catalyst Leaching, Angewandte Chemie, 52(5), 1586-1589, 2013. [DOI: 10.1002/anie.201208667]


Dorn U., Schrader P., Enders S.: Aggregation and Phase Behavior of Nonionic Surfactants (CiEj ) in Aqueous Solution, Vestnik St. Petersburg University, 4(1), 97–113, 2013. [More]


Esche, E., Müller, D., Kraus, R., Wozny, G.: Systematic Approaches for Model Derivation for Optimization Purposes, Chemical Engineering Science, 115, 215-224, 2013. [doi.org/10.1016/j.ces.2013.11.041]


Flassig, R. J., Sundmacher, K.: Optimal Design of Stimulus Experiments for Robust Discrimination of Biochemical Reaction Networks, Bioinformatics, 2013. [doi.org/10.1093/bioinformatics/bts585


Hamerla, T., Paul, N., Kraume, M., Schomäcker, R.: Mass Transfer Phenomena in Micellar Multiphase Systems Investigated for a Hydroformylation Reaction, Chemie Ingenieur Technik 2013, 85(10), 1530-1539, 2013. [doi.org/10.1002/cite.201300048]


Hamerla, T., Rost, A., Kasaka, Y., Schomäcker, R.: Hydroformylation of 1-Dodecene with Water-Soluble Rhodium Catalysts with Bidentate Ligands in Multiphase Systems, ChemCatChem, 7(5), 1854-1862, 2013. [doi.org/10.1002/cctc.201200744]


Hemmecke, R., Koeppe, M., Weismantel, R.: Graver Basis and Proximity Techniques for Block-structured Separable Convex Integer Minimization Problems, Mathematical Programming A, 145(1-2), 1-18, 2013. [doi.org/10.1007/s10107-013-0638-z]


Hentschel, B., Peschel, A., Freund, H., Sundmacher, K.: Simultaneous Design of the Optimal Reaction and Process Concept for Multiphase Systems, Chem.Eng.Science, 2013. [doi.org/10.1016/j.ces.2013.09.046]


Hentschel, B., Peschel, A., Xie, M., Vogelpohl, C., Sadowski, G., Freund, H., Sundmacher, K.: Model-based Prediction of Optimal Conditions for 1-Octene Hydroformylation, Chem.Eng.Science, 2013. [doi.org/10.1016/j.ces.2013.03.051]


Hoang Minh, D., Barz, T., Merchan, V.A., Biegler, L.T., Arellano-Garcia, H.: Simultaneous Solution Approach to Model-based Experimental Design, AIChE-Journal, 2013. [https://doi.org/10.1002/aic.14145]


Kiedorf, G., Hoang, D.M., Müller, A., Jörke, A., Markert, J., Arellano-Garcia, H., Seidel-Morgenstern, A., Hamel, C.: Kinetics of 1-Dodecene Hydroformylation in a Thermomorphic Solvent System Using a Rhodium-Biphephos Catalyst, Chemical Engineering Science, 145, 31-48, 2013. [doi.org/10.1016/j.ces.2013.06.027]


Kraume, M.: Integrated Chemical Processes in Liquid Multiphase Systems [Integrierte chemische Prozesse in flüssigen Mehrphasensystemen], Chemie Ingenieur Technik, 85(10), 1499-1511, DOI:10.1002/cite.201300013, 2013. [doi.org/10.1002/cite.201300013]


Markert, J., Brunsch, Y., Munkelt, T., Kiedorf, G., Behr, A., Hamel, C., Seidel-Morgenstern A.: Analysis of the Reaction Network for the Rh-Catalyzed Hydroformylation of 1-Dodecene Based on Perturbed Semibatch Experiments, Applied Catalysis A: General, 462-463, 287-295, 2013. [doi.org/10.1016/j.apcata.2013.04.005]


Müller, M., Kasaka, Y., Müller, D., Schomäcker, R., Wozny, G.: Process Design for the Separation of Three Liquid Phases for a Continuous Hydroformylation Process in a Miniplant Scale, Ind. Eng. Chem. Res., 52(22), 7259-7264, 2013. [DOI: 10.1021/ie302487m]


Nowothnik, H., Rost, A., Hamerla, T., Schomäcker, R., Müller, C., Vogt, D.: Comparison of Phase Transfer Agents in the Aqueous Biphasic Hydroformylation of Higher Alkenes, RSC Catal. Sci. Technol., 3, 600-605, 2013. [DOI: 10.1039/C2CY20629C]


Rost, A., Brunsch, Y., Schomäcker, R., Behr, A.: Comparison of Thermomorphic Solvent Mixtures and Microemulsions as Tunable Solvent Systems for the Highly Regioselective Hydroformylation of Long-chain Olefins using a Rhodium-BiPhePhos-Catalyst System, Applied Catalysis A, 2013.


Rost, A., Müller, M., Hamerla, T., Schomäcker, R., Wozny, G: Development of a Continuous Process for the Hydroformylation of Long Chain Olefins in Aqueous Multiphase Systems, J. Chem. Eng. 67, 130-135, 2013. [doi.org/10.1016/j.cep.2012.10.001]


Schäfer, E., Vogelpohl, C., Brandenbusch, C., Sadowski, G., Enders, S.: Simultane Modellierung von Phasengleichgewichten und Grenzflächeneigenschaften mit Hilfe des PCP-SAFT Modells, Chemical Engineering Science, 2013. [doi.org/10.1002/cite.201300036]


Schrader, P., Culaguin-Chicaroux, A., Enders, S.: Phase Behavior of the Water + Nonionic Surfactant (C12E8)+1-Dodecene Ternary System across a Wide Temperature Range, Chemical Engineering Science, 93,131–139, 2013. [doi.org/10.1016/j.ces.2012.08.020]


Vogelpohl, C., Brandenbusch, C., Sadowski, G.: High-pressure Gas Solubility in Multicomponent Solvent Systems for Hydroformylation. Part I: Carbon Monoxide Solubility, Supercritical Fluids, 81, 23-32, 2014. [doi.org/10.1016/j.supflu.2013.04.006]

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2012

Baes, M., Del Pia, A., Nesterov, Y., Onn, S., Weismantel, R.: Minimizing Lipschitz-Continuous Strongly Convex Functions over Integer Points in Polytopes, Mathematical Programming, Ser. B, 134, 305-322, 2012. [DOI 10.1007/s10107-012-0545-8]


Behr, A., Brunsch, Y., Lux, A.: Rhodium Nanoparticles as Catalysts in the Hydroformylation of 1-Dodecene and their Recycling in Thermomorphic Solvent Systems, Tetrahedron Letters, 2012. [doi.org/10.1016/j.tetlet.2012.03.062]


Behr, A., Witte, H., Zagajewski, M.: Scale-up durch Miniplant-Technik: Anwendungsbeispiele aus der homogenen Katalyse, Chemie Ingenieur Technik, 2012. [doi.org/10.1002/cite.201100169]


Bordás, R., John, V. Schmeyer, E., Thévenin, D.: Measurement and Simulation of a Droplet Population in a Turbulent Flow Field, Computer and Fluids, 2012. [doi.org/10.1016/j.compfluid.2012.05.003]


Bordás, R., Seshadhri, S., Janiga, G., Skalej, M., Thévenin, D.: Experimental Validation of Numerical Simulations on a Cerebral Aneurysm Phantom Model, Interv. Med. App. Sci., 2012. [doi:10.1556/IMAS.4.2012.4.4.]


Hamerla, T., Schwarze, M., Schomäcker, R.: Catalysis in Modified Liquid-Liquid Multiphase Systems, Chemie Ingenieur Technik, 2012. [doi.org/10.1002/cite.201200043]


Hoang Minh, D., Wozny, G., Brunsch, Y., Behr, A., Markert, J., Hamel, J., Seidel-Morgenstern, A., Arellano-Garcia, H.: Model-Based Optimal Design of Experiments for Determining Reaction Network Structures, Computer Aided Chemical Engineering, 31, 705-709, 2012. [doi.org/10.1016/B978-0-444-59507-2.50133-5]


Fuegenschuh, A., Hayn, C., Michaels, D.: Mixed-Integer Linear Methods for Layout-Optimization of Screening Systems in Recovered Paper Production, Optimization and Engineering, 2012. [doi.10.1007/s11081-014-9249-7]


Lehwald, A., Janiga, G., Thévenin, D., Zähringer, K.: Simultaneous Investigation of Macro- and Micro-mixing in a Static Mixer, Chem. Eng. Science, 2012. [doi.org/10.1016/j.ces.2012.05.026]


Maaß, S., Paul, N., Kraume, M.: Influence of the Dispersed Phase Fraction on Experimental and Predicted Drop Size Distributions in Breakage Dominated Stirred Systems, Chemical Engineering Science, 76, 140-153, 2012 [DOI: 10.1016/j.ces.2012.03.050]


Micovic, J., Beierling, T. Lutze, P., Sadowski, G., Górak, A.: Design of Hybrid Distillation/Melt Crystallisation Processes for Separation of Close Boiling Mixtures, Chemical Engineering and Processing: Process Intensification, 2012. [doi.org/10.1016/j.cep.2012.07.012]


Micovic, J., Beierling, T. Lutze, P., Sadowski, G., Górak, A.: Eine Entwurfsmethode zur Auslegung hybrider Trennverfahren aus Rektifikation und Schmelzekristallisation für die Aufreinigung engsiedender Gemische, Chemie Ingenieur Technik, 2012. [More]


Müller, M., Kasaka, Y., Müller, D., Schomäcker, R., Wozny, G.: A Continuous Hydroformylation Process in a Miniplant Scale: Equipment Design for the Separation of Three Liquid Phases, Computer Aided Chemical Engineering, 31, 710-714, 2012. [doi.org/10.1016/B978-0-444-59507-2.50134-7]


Nguyen, L.A.T., Minding, M., Schwarze, M., Drews, A., Schomäcker, R., Kraume, M.: Adsorption and Filtration Behaviour of Non-ionic Surfactants During Reverse Micellar-enhanced Ultrafiltration, Journal Of Membrane Science, 433, 80-87, 2012. [doi.org/10.1016/j.memsci.2013.01.019]


Nguyen, L.A.T., Schwarze, M., Drews, A., Schomäcker, R., Kraume, M., Böhm, L.: Influence of Non-ionic Surfactants on Reverse Micellar-enhanced Ultrafiltration, Procedia Engineering, 44, 1692-1694, 2012.


Peschel, A., Hentschel, B., Freund, H., Sundmacher, K.: Design of Optimal Multiphase Reactors Exemplifed on the Hydroformylation of Long Chain Alkenes, Chemical Engineering Journal, 188, 126-141, 2012. [doi.org/10.1016/j.cej.2012.01.123]


Rost, A., Brunsch, Y., Schomäcker, R., Behr, A.: Tunable Solvent Systems for the Highly Regioselective Hydroformylation of Long Chain Olefins using a Rhodium-BiPhePhos-catalyst System, Applied Catalysis A, 2012.


Rost, A., Müller, M., Hamerla, T., Kasaka, Y., Wozny, G., Schomäcker, R.: Development of a Continuous Process for the Hydroformylation of Long Chain Olefins in Aqueous Multiphase Systems, Chemical Engineering and Processing, 67, 130-135, 2012. [http://dx.doi.org/10.1016/j.cep.2012.10.001]


Rüther, F., Beierling, T.: Separation of the Isomeric Long-chain Aldehydes Dodecanal/2-methylundecanal via Layer Melt Crystallization, Chemical Engineering Science, 77, 71-77, 2012. [doi.org/10.1016/j.ces.2012.01.055]


Schmidt, P., Köse, T., Lutze, P.: Characterisation of Organic Solvent Nanofiltration Membranes in Multi-component Mixtures: Membrane Rejection Maps and Membrane Selectivity Maps for Conceptual Process Design, Journal of Membrane Science, 429, 103-120, 2012. [doi.org/10.1016/j.memsci.2012.11.031]


Schäfer, E., Sadowski, G.: Liquid-liquid Equilibria of Systems with Linear Aldehydes. Experimental Data and Modeling with PCP-SAFT, Ind. Eng. Chem. Res., 51 (44), 14525–14534, 2012. [DOI: 10.1021/ie301566d]


Schäfer, E., Sadowski, G., Brunsch, Y., Behr, A.: Hydroformylation of 1-Dodecene in the Thermomorphic Solvent System DMF/Decane. Phase Behavior - Reaction Performance - Catalyst Recycling, Ind. Eng. Chem. Res, 51 (31), 10296–10306, 2012. [DOI: 10.1021/ie300484q]


Schwarze, M., Schmidt, M., Nguyen, L.A.T., Drews, A., Kraume, M., Schomäcker, R.: Micellar Enhanced Ultrafiltration of a Rhodium Catalyst, Journal of Membrane Science, 421–422, 165-171, 2012. [doi.org/10.1016/j.memsci.2012.07.017]


Steimel, J, Engell, S.: A Framework for the Modeling and Optimization of Process Superstructures under Uncertainty, Chemical Engineering Science, 115, 225-237, 2012. [doi.org/10.1016/j.ces.2013.04.052]


Zagajewski, M., Behr, A., Sasse, P., Wittmann, J.: Continuously Operated Miniplant for the Rhodium Catalyzed Hydroformylation of 1-Dodecene in a Thermomorphic Multicomponent Solvent System (TMS), Special Issue InPROMPT, 2012.

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2011

Barz, T., Kraus, R., Zhu, L., Wozny, G., Arellano-Garcia, H.: Generation of Discrete First- and Second-Order Sensitivities for Single Shooting, AIChE Journal, 2011. [doi.org/10.1002/aic.13720]


Barz, T., Zhu, L., Wozny, G., Arellano-Garcia, H.: Efficient Computation of First- and Second-Order Sesitivties Using an Internal Forward Differentiation Scheme, Computer Aided Chemical Engineering, 29, 733-737, 2011. [doi.org/10.1016/B978-0-444-53711-9.50147-4]


Heidbrecht, P., Pfafferodt, M., Sundmacher, K.: Multiscale Modelling Strategy for Structured Catalytic Reactors, Chemical Engineering Science, 66(19), 4389-4402, 2011. [DOI: 10.1016/j.ces.2011.03.052]


Kuntsche, S.; Manenti, F.; Buzzi-Ferraris, G.; Wozny, G.: Modelling in the Documentation Level using MOSAIC and Numerical Libraries, AIDIC Conference Series, 10, 2011. [More]


Kuntsche, S., Arellano-Garcia, H., Wozny, G.: MOSAIC, an Environment for Web-based Modelling in the Documentation Level, Computer Aided Chemical Engineering, 29, 1140-1144, 2011. [doi.org/10.1016/B978-0-444-54298-4.50007-6]


Kuntsche, S., Barz, T., Kraus, R., Arellano-Garcia, H., Wozny, G.: MOSAIC a Web-based Modeling Environment for Code Generation, Computers & Chemical Engineering, 35(11), 2257-2273, 2011. [doi.org/10.1016/j.compchemeng.2011.03.022]


Kuntsche, S., Kraus, R., Arellano-Garcia, H., Wozny, G.: MOSAIC, an Internet Tool for Cooperative Modeling in the Documentation Level and Code Generation, Chemical Engineering Transactions, 2011. [More]


Merchan Restrepo, V. A., Kuntsche, S., Arellano-Garcia, H., Wozny, G.: Symbolic Generation of First and Higher-order Derivatives with MOSAIC, 18th International Process Engineering and Chemical Plant Design, Berlin, 2011.


Paul, N., Kraume, M.: Influence of Surfactants on Fluid Dynamics and Mass Transfer of Single Droplets, 18th International Process Engineering and Chemical Plant Design, Berlin, 2011. [More]


Peschel. A.; Hentschel, B.; Freund, HJ; Sundmacher, K.: Optimal Reactor Design for the Hydroformylation of Long Chain Alkenes in Biphasic Liquid Systems. Computer Aided Chemical Engineering, 29, 1246-1250, 2011. [doi.org/10.1016/B978-0-444-54298-4.50028-3]


Schomäcker, R., Nowothnick, H., Schwarze, M., Rost, A., Hamerla, T.,: Mizellare Lösungen und Mikroemulsionen als Reaktionsmedien für katalytische Reaktionen, Chemie Ingenieur Technik, 83(9), 1-14, 2011. [DOI:10.1002/cite.201100042]


Schrader, P., Dorn, U., Kulaguin-Chicaroux, A., Enders, S.: Phase Equilibria of Surfactant Containing Systems, Process Engineering and Chemical Plant Design, (Eds.: Wozny, G., Hady, L.), Universitätsverlag der TU Berlin, 2011. [doi.org/10.14279/depositonce-3011]


Schrader, P., Dorn, U., Kulaguin-Chicaroux, A., Enders, S.: Phase Equilibria of Surfactant Containing Systems, ECCE, Berlin, 2011. [More]


Tometzki, T., Engell, S.: Systematic Initialization Techniques for Hybrid Evolutionary Algorithms for Solving Two-Stage Stochastic Mixed-Integer Programs, IEEE Transactions on Evolutionary Computation, 15(2), 196-214, 2011. [DOI: 10.1109/TEVC.2010.2058121]


Urselmann, M., Barkmann, S., Sand, G., Engell, S.: A Memetic Algorithm for Global Optimization in Chemical Process Synthesis Problems,  IEEE Transactions on Evolutionary Computation  - Special Issue on Advances in Memetic Computation 15(5), 659-683, DOI: 10.1109/TEVC.2011.2150753, 2011. [DOI:10.1109/TEVC.2011.2150753]


Urselmann, M., Engell, S.: Optimization-based Design of Reactive Distillation Columns Using a Memetic Algorithm, Computers and Chemical Engineering, 2011. [doi.org/10.1016/j.compchemeng.2011.01.038]

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2010

Buchheim, C., Michaels, D., Weismantel, R.: Integer Programming Subject to Monomial Constraints, SIAM J. Optim., 20(6), 3297-3311, 2010. [doi.org/10.1137/090764402]


Drews,A., Arellano-Garcia, H., Schomäcker, R., Kraume, M., Wozny, G.; Ultrafiltration of Surfactant Micelles: Cross-flow Experiments and Flux Modelling, Proc. ESCAPE-20, 20th European Symposium on Computer Aided Process Engineering, Ischia/Italien, 2010, Computer Aided Chemical Engineering, 28, 787-792, 2010. [doi.org/10.1016/S1570-7946(10)28132-4]


Kraus, R., Arellano-Garcia, H., Wozny, G.: A Novel Process Concept for the Production of Ethyl Lactate, Distillation Absorption 2010, 2010. [More]


Schwarze, M., Le, D.K., Wille, S., Drews, A., Arlt, W., Schomäcker, R.: Stirred Cell Ultrafiltration of Aqueous Micellar TX-100 Solutions, Separation Science and Technology, 74, 21-27, 2010. [doi.org/10.1016/j.seppur.2010.05.003]


Tometzki, T., Engell, S.: Risk Conscious Solution of Planning Problems under Uncertainty by Hybrid-Multi-Objective Evolutionary Algorithms, Computers & Chemical Engineering 35(11), 2521-2539, 2010. [DOI: 10.1016/j.compchemeng.2011.01.044]

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Last updated:21-10-2019