Publications of Steffen Linke

König-Mattern, L., Komarova, A. O., Ghosh, A., Linke, S., Rihko-Struckmann, L., Luterbacher, J., & Sundmacher, K. (2023)High-throughput computational solvent screening for lignocellulosic biomass processingChemical Engineering Journal, 452, 139476doi: 10.1016/j.cej.2022.139476.

Sanchez Medina, E. I., Linke, S., Stoll, M., & Sundmacher, K. (2023)Gibbs–Helmholtz graph neural network: capturing the temperature dependency of activity coefficients at infinite dilutionDigital Discovery, 2 (3), 781–798doi: 10.1039/D2DD00142J.

Hessel, V., Tran, N. N., Asrami, M. R., Tran, Q. D., Van Duc Long, N., Escribà-Gelonch, M., Tejada, J. O., Linke, S., & Sundmacher, K. (2022)Sustainability of green solvents – review and perspectiveGreen Chemistry, 24, 410–437doi: 10.1039/D1GC03662A.

Keßler, T., Kunde, C., Linke, S., Sundmacher, K., & Kienle, A. (2022)Integrated computer-aided molecular and process design: Green solvents for the hydroformylation of long-chain olefinesChemical Engineering Science, 249, 117243doi: 10.1016/j.ces.2021.117243.

Sanchez Medina, E. I., Linke, S., Stoll, M., & Sundmacher, K. (2022)Graph neural networks for the prediction of infinite dilution activity coefficientsDigital Discovery, 1 (3), 216–225 doi: 10.1039/D1DD00037C.

König-Mattern, L., Linke, S., Rihko-Struckmann, L., & Sundmacher, K. (2021)Computer-aided solvent screening for the fractionation of wet microalgae biomassGreen Chemistry, 23, 10014–10029doi: 10.1039/D1GC03471E.

Linke, S., McBride, K., & Sundmacher, K. (2020)Systematic Green Solvent Selection for the Hydroformylation of Long-Chain AlkenesACS Sustainable Chemistry & Engineering, 8 (29), 10795–10811doi: 10.1021/acssuschemeng.0c02611.

Song, Z., Hu, X., Wu, H., Mei, M., Linke, S., Zhou, T., Qi, Z., & Sundmacher, K. (2020)Systematic Screening of Deep Eutectic Solvents as Sustainable Separation Media Exemplified by the CO₂ Capture ProcessACS Sustainable Chemistry & Engineering, 8 (23), 8741–8751doi: 10.1021/acssuschemeng.0c02490.

Zhou, T., McBride, K., Linke, S., Song, Z., & Sundmacher, K. (2020)Computer-aided solvent selection and design for efficient chemical processesCurrent Opinion in Chemical Engineering, 27, 35–44doi: 10.1016/j.coche.2019.10.007.

Keßler, T., Kunde, C., Linke, S., McBride, K., Sundmacher, K., & Kienle, A. (2019)Systematic Selection of Green Solvents and Process Optimization for the Hydroformylation of Long-Chain OlefinesProcesses, 7 (12), 882doi: 10.3390/pr7120882.

Kunde, C., Keßler, T., Linke, S., McBride, K., Sundmacher, K., & Kienle, A. (2019)Surrogate Modeling for Liquid–Liquid Equilibria Using a Parameterization of the Binodal CurveProcesses, (7), 753doi: 10.3390/pr7100753.

Sanchez Medina, E. I., Linke, S., & Sundmacher, K. (2021)Prediction of Bioconcentration Factors (BCF) using Graph Neural NetworksIn: 31st European Symposium on Computer Aided Process Engineering, 991–997doi: 10.1016/B978-0-323-88506-5.50153-4.

Keßler, T., Kunde, C., Linke, S., McBride, K., Sundmacher, K., & Kienle, A. (2020)Computer Aided Molecular Design of Green Solvents for the Hydroformylation of Long-Chain OlefinesIn: 30th European Symposium on Computer Aided Process Engineering: Computer Aided Chemical Engineering, 745–750doi: 10.1016/B978-0-12-823377-1.50125-7.

McBride, K., Linke, S., Xu, S., & Sundmacher, K. (2018)Computer Aided Design of Green Thermomorphic Solvent Systems for Homogeneous Catalyst RecoveryIn: 13th International Symposium on Process Systems Engineering (PSE 2018), 1783–1788doi: 10.1016/B978-0-444-64241-7.50292-5.

König-Mattern, L., Sanchez Medina, E. I., Komarova, A. O., Linke, S., Rihko-Struckmann, L., Luterbacher, J., & Sundmacher, K.Tailored solvent design for lignin dissolution using graph neural networksPresented at: ECCE 14 & ECAB 7: 14th European Congress of Chemical Engineering and 7th European Congress of Applied BiotechnologyBerlin, Germany, September 17, 2023.

König-Mattern, L., Komarova, A., Linke, S., Rihko-Struckmann, L., Luterbacher, J., & Sundmacher, K.Computational solvent screening for the organosolv fractionation of lignocellulosic biomassPresented at: ISGC 2022: International Symposium on Green ChemistryLa Rochelle, France, May 16, 2022.

König-Mattern, L., Linke, S., Rihko-Struckmann, L., & Sundmacher, K.Lipid extraction in microalgal biorefineries: A COSMO-RS approachPresented at: 18th International Conference on Renewable Resources and BiorefineriesBruges, Belgium, June 1, 2022.

König-Mattern, L., Linke, S., Rihko-Struckmann, L., & Sundmacher, K.Computational Solvent Screening for Efficient Microalgal-based Biorefineries exemplified by Phaeodactylum tricornutumPresented at: International Conference on Algal Biomass, Biofuels and Bioproducts (AlgalBBB 2021)Virtual, June 15, 2021.

König-Mattern, L., Linke, S., Rihko-Struckmann, L., & Sundmacher, K.Computational Solvent Screening for the Fractionation of Wet Microalgal Biomass Exemplified by Phaeodactylum tricornutumPresented at: ECCE 13 & ECAB 6: 13th European Congress of Chemical Engineering and 6th European Congress of Applied BiotechnologyBerlin, Virtual, September 19, 2021.

Linke, S., Jokiel, M., McBride, K., & Sundmacher, K.Green solvents for the hydroformylation of long chain alkenesPresented at: 2020 Virtual AIChE Annual Meetingvirtual, November 16, 2020.