Publications of Xiang Zhang

Sethi, S., Zhang, X., & Sundmacher, K. (2025)Process-driven solvent screening for efficient extractive distillation using interpolative rational functionsChemical Engineering Science, 301, 120675doi: 10.1016/j.ces.2024.120675.

Xu, J., Peng, Z., Rong, S., Zhao, Q., Jin, H., Guo, L., Zhou, T., & Zhang, X. (2023)Optimal retrofit of a novel multi-component supercritical thermal fluid generation system via thermodynamic analysisApplied Thermal Engineering, 219, 119511doi: 10.1016/j.applthermaleng.2022.119511.

Zhang, X., Hu, Y., Lyu, H., Li, J., & Zhou, T. (2023)Multi-level computational screening of anion-pillared metal-organic frameworks for propane and propene separationSeparation and Purification Technology, 312, 123378doi: 10.1016/j.seppur.2023.123378.

Qin, H., Wang, Z., Song, Z., Zhang, X., & Zhou, T. (2022)High-Throughput Computational Screening of Ionic Liquids for Butadiene and Butene SeparationProcesses, 10 (1), 165doi: 10.3390/pr10010165.

Xu, J., Rong, S., Sun, J., Peng, Z., Jin, H., Guo, L., Zhang, X., & Zhou, T. (2022)Optimal design of non-isothermal supercritical water gasification reactor: From biomass to hydrogenEnergy, 244, 123163doi: 10.1016/j.energy.2022.123163.

Zhang, X., Sethi, S., Wang, Z., Zhou, T., Qi, Z., & Sundmacher, K. (2022)A neural recommender system for efficient adsorbent screeningChemical Engineering Science, 259, 117801doi: 10.1016/j.ces.2022.117801.

Zhang, X., Zhou, T., & Sundmacher, K. (2022)Integrated metal–organic framework and pressure/vacuum swing adsorption process design: Descriptor optimizationAIChE Journal, 68 (2), e17524doi: 10.1002/aic.17524.

Zhang, X., Zhou, T., & Sundmacher, K. (2022)Integrated metal‐organic framework (MOF) and pressure/vacuum swing adsorption process design:MOFmatchingAIChE Journal, 68 (9), e17788doi: 10.1002/aic.17788.

Zhou, Y., Zhang, X., Zhou, T., & Sundmacher, K. (2022)Computational Screening of Metal-Organic Frameworks for Ethylene Purification from Ethane/Ethylene/Acetylene MixtureNanomaterials, 12 (5), 869doi: 10.3390/nano12050869.

Xu, J., Peng, Z., Rong, S., Jin, H., Guo, L., Zhang, X., & Zhou, T. (2021)Model-based thermodynamic analysis of supercritical water gasification of oil-containing wastewaterFuel, 306, 121767doi: 10.1016/j.fuel.2021.121767.

Zhang, X., Ding, X., Song, Z., Zhou, T., & Sundmacher, K. (2021)Integrated Ionic Liquid and Rate‐Based Absorption Process Design for Gas Separation: Global Optimization Using Hybrid ModelsAIChE Journal, 67 (10), 17340doi: 10.1002/aic.17340.

Zhang, X., Wang, J., Song, Z., & Zhou, T. (2021)Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT VerificationIndustrial & Engineering Chemistry Research, 60 (27), 9992–10000doi: 10.1021/acs.iecr.1c01384.

Zhang, X., Song, Z., & Zhou, T. (2018)Rigorous design of reaction-separation processes using disjunctive programming modelsComputers and Chemical Engineering, 111, 16–26doi: 10.1016/j.compchemeng.2017.12.013.

Sethi, S., Zhang, X., & Sundmacher, K. (2024)Rational Function-based Approach for Integrated Ionic Liquid Solvent Selection and Extractive Distillation Process DesignIn: 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, 1345–1350doi: 10.1016/B978-0-443-28824-1.50225-8.

Zhang, X. & Sundmacher, K. (2023)Optimal Design of Anion-pillared Metal-organic Frameworks for Gas SeparationIn: 33rd European Symposium on Computer Aided Process Engineering, 991–996doi: 10.1016/B978-0-443-15274-0.50158-X.

Zhang, X., Zhou, T., & Sundmacher, K. (2022)Metal-Organic Framework Targeting for Optimal Pressure Swing Adsorption ProcessesIn: 14th International Symposium on Process Systems Engineering: 295–300doi: 10.1016/B978-0-323-85159-6.50049-X.

Zhang, X. & Sundmacher, K.Optimal design of anion-pillared metal-organic frameworks for gas separationPresented at: ESCAPE-33Athens, Greece, June 18, 2023.

Zhang, X., Zhou, T., & Sundmacher, K.Integrated Material and Process Design for Gas Separation: Hybrid Modeling for MOF Descriptor TargetingPresented at: ECCE 13 & ECAB 6: 13th European Congress of Chemical Engineering and 6th European Congress of Applied BiotechnologyBerlin, Virtual, September 19, 2021.

Sethi, S., Zhang, X., & Sundmacher, K.Rational function-based approach for integrated ionic liquids solvent selection and process design for efficient extractive distillationPresented at: 34th Eu­ro­pean Sym­po­si­um on Com­pu­ter-Ai­ded Pro­cess En­gi­nee­ring (ES­CAPE-34)Florence, Italy, June 2, 2024.

Sethi, S., Zhang, X., & Sundmacher, K.Process-driven solvent screening for efficient extractive distillation: smart of interpolative rational functionsPresented at: 2023 AIChE Annual MeetingOrlando, USA, November 5, 2023.