Vlachos, Dionisios G. - University of Delaware - Department of Chemical & Biomolecular Engineering

个人简介

EDUCATION Doctorate – 1992 University of Minnesota Masters – 1990 University of Minnesota Bachelors – 1987 National Technical University of Athens ABOUT DIONISIOS G. VLACHOS Dionisios (Dion) G. Vlachos is the Unidel Dan Rich Chair in Energy Professor of Chemical & Biomolecular Engineering, a Professor of Physics and Astronomy at the University of Delaware, the Director of the University of Delaware Energy Institute (UDEI), of the UD node of the manufacturing institute RAPID, and the Catalysis Center for Energy Innovation (CCEI), an Energy Frontier Research Center (EFRC). He is the ExxonMobil Visiting Chair Professor, National University of Singapore, Singapore, 2018-2021. Dion obtained a five-year diploma in Chemical Engineering from the National Technical University of Athens, Greece, in 1987, and his M.S. and Ph.D. from the University of Minnesota in 1990 and 1992. He spent a postdoctoral year at the Army High-Performance Computing Research Center in Minnesota. Dr. Vlachos joined the University of Massachusetts as an assistant professor and promoted to an associate professor in 1998. He joined the University of Delaware in 2000. He was a visiting fellow at Princeton University in 2000, a visiting faculty member at Thomas Jefferson University and Hospital in 2007, the George Pierce Distinguished Professor of Chemical Engineering and Materials Science at the University of Minnesota in 2007, the Allan and Myra Ferguson Professor of Chemical & Biomolecular Engineering, 2016-2020, and the Elizabeth Inez Kelley Professor of Chemical Engineering, 2009-2016. He is the ExxonMobil Visiting Chair Professor, National University of Singapore, Singapore, 2018-2021. Professor Vlachos is the winner of the 2020 Irving Wender Award for Excellence in Catalysis from the Pittsburgh-Cleveland Catalysis Society, the 2016 Catalysis Club of Philadelphia Award, the R. H. Wilhelm Award in Chemical Reaction Engineering from AIChE (2011) and is an AAAS Fellow (since 2009). He also received an NSF Career Award and an Office of Naval Research Young Investigator Award.

研究领域

Vlachos’ research focuses on circular economy and waste derivatization, multiscale modeling and simulation, distributed (bio)chemical manufacturing, process intensification and novel catalytic reactors, renewable fuels and chemicals, catalyst informatics and in silico materials prediction, and kinetic modeling. He is a pioneer of the multiscale modeling field and the introduction of fundamental research in biomass.

近期论文

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N. M. Alghamdi, D. G. Vlachos, and S. M. Sarathy, Revisiting the Microkinetic Modeling of the CO Oxidation over Rh/Al2O3. Ind. Eng. Chem. Res. 62(20), 7912-7920 (2023). DOI:10.1021/acs.iecr.3c00433. Z. An, P. Yang, D. Duan, J. Li, T. Wan, Y. Kong, S. Caratzoulas, S. Xiang, J. Liu, L. Huang, A. I. Frenkel,Y.-Y. Jiang, R. Long, Z. Li, and D. G. Vlachos, Highly active, ultra-low loading single-atom iron catalysts for catalytic transfer hydrogenation. Nat. Commun. 14(1), 6666 (2023). DOI:10.1038/s41467-023-42337-9. E. Andini, J. Bragger, S. Sadula, and D. G. Vlachos, Production of neo acids from biomass-derived monomers. Green Chem. 25(9), 3493-3502 (2023). DOI:10.1039/d3gc00735a. M. Baker-Fales, T.-Y. Chen, P. Bhalode, Z. Wang, and D. G. Vlachos, Microwave enhancement of extractions and reactions in Liquid-Liquid biphasic systems. Chem. Eng. J. 476, 146552 (2023). DOI:https://doi.org/10.1016/j.cej.2023.146552. M. Baker-Fales, T. Y. Chen, and D. G. Vlachos, Scale-Up of Microwave-Assisted, Continuous Flow, Liquid Phase Reactors: Application to 5-Hydroxymethylfurfural Production. Chem. Eng. J. 454, 139985 (2023). M. Baker-Fales, J. D. Gutiérrez-Cano, J. M. Catalá-Civera, and D. G. Vlachos, Temperature-dependent complex dielectric permittivity: a simple measurement strategy for liquid-phase samples. Sci Rep 13(1), 18171(2023). DOI:10.1038/s41598-023-45049-8. S. P. Batchu, S. Caratzoulas, and D. G. Vlachos, How Topological Differences between Two Oxide Surfaces Determine Selectivity-The Case of the Dehydra-Decyclization of Tetrahydrofuran. Chemistry-Switz. 5(1), 422-437 (2023). DOI:10.3390/chemistry5010031. H. Bhattacharjee, J. Burns, and D. G. Vlachos, AIMSim: An accessible cheminformatics platform for similarity operations on chemicals datasets. Comput. Phys. Commun. 283, 108579 (2023). DOI:https://doi.org/10.1016/j.cpc.2022.108579. P. Bollini, M. Diwan, P. Gautam, R. L. Hartman, D. A. Hickman, M. Johnson, M. Kawase, M. Neurock, G. S.Patience, A. Stottlemyer, D. G. Vlachos, and B. Wilhite, Vision 2050: Reaction Engineering Roadmap. ACS Engineering Au 3(6), 364-390 (2023). DOI:10.1021/acsengineeringau.3c00023. J. W. Burns, K. A. Spiekermann, H. Bhattacharjee, D. G. Vlachos, and W. H. Green, Machine Learning Validation via Rational Dataset Sampling with astartes. Journal of Open Source Software 8(91), 5996 (2023). DOI:https://doi.org/10.21105/joss.05996. F. Cameli, P. Dimitrakellis, G. D. Stefanidis, and D. G. Vlachos, Non-Oxidative Ethane Dehydrogenation in a Packed-Bed DBD Plasma Reactor. Plasma Chemistry and Plasma Processing, 14 (2023). DOI:10.1007/s11090-023-10343-w. F. Cameli, P. Dimitrakellis, and D. G. Vlachos, Direct Conversion of Ethane to Oxygenates, Ethylene, and Hydrogen in a Noncatalytic Biphasic Plasma Microreactor. ACS Sustain. Chem. Eng. 11(21), 8003-8008(2023). DOI:10.1021/acssuschemeng.3c01594. T.-H. Chen, D. G. Vlachos, and S. Caratzoulas, Ab Initio Molecular Dynamics Study of Pt Clustering on γAl2O3 and Sn-Modified γ-Al2O3. The Journal of Physical Chemistry C 127(39), 19778-19787 (2023). DOI:10.1021/acs.jpcc.3c04595. T. H. Chen, D. G. Vlachos, and S. Caratzoulas, Ab Initio Molecular Dynamics Study of Pd Nucleation on a γAl2O3 Surface. J. Phys. Chem. C 127(28), 13911-13917 (2023). DOI:10.1021/acs.jpcc.3c02682. M. Cohen, T. Goculdas, and D. G. Vlachos, Active learning of chemical reaction networks via probabilistic graphical models and Boolean reaction circuits. React. Chem. Eng. 8(4), 824-837 (2023). DOI:10.1039/d2re00315e. M. Cohen, and D. G. Vlachos, Modified Energy Span Analysis of Catalytic Parallel Pathways and Selectivity.Ind. Eng. Chem. Res. 62(5), 2191-2201 (2023). DOI:10.1021/acs.iecr.2c01991. T. Goculdas, S. Deshpande, W. Zheng, R. J. Gorte, S. Sadula, and D. G. Vlachos, Highly selective cross ketonization of renewable acids over magnesium oxide. Green Chem. 25(2), 614-626 (2023). DOI:10.1039/D2GC04400E. T. Goculdas, K. Korathotage, C. Montone, S. Sadula, E. D. Bloch, and D. G. Vlachos, Synthesis of Long Chain Oxygenates via Aldol Condensation of Furfural and Acetone over Metal–Organic Frameworks. ACS Appl. Mat. Inter. 15(49), 57070-57078 (2023). DOI:10.1021/acsami.3c13037. G. J. Gregory, C. Wang, S. Sadula, S. Koval, R. F. Lobo, D. G. Vlachos, and E. T. Papoutsakis, Polyethylene Valorization by Combined Chemical Catalysis with Bioconversion by Plastic-Enriched Microbial Consortia.ACS Sustain. Chem. Eng. 11(8), 3494–3505 (2023). DOI:10.1021/acssuschemeng.2c07461. Y. Gupta, L. E. Beckett, S. Sadula, V. Vargheese, L. T. J. Korley, and D. G. Vlachos, Bio-based molecular imprinted polymers for separation and purification of chlorogenic acid extracted from food waste. Separation and Purification Technology 327, 124857 (2023). DOI:https://doi.org/10.1016/j.seppur.2023.124857. Y. Gupta, S. Bhattacharyya, and D. G. Vlachos, Extraction of Valuable Chemicals from Food Waste via Computational Solvent Screening and Experiments. Separation and Purification Technology, 123719 (2023). DOI:https://doi.org/10.1016/j.seppur.2023.123719. B. Hernández, P. Kots, E. Selvam, D. G. Vlachos, and M. G. Ierapetritou, Techno-Economic and Life Cycle Analyses of Thermochemical Upcycling Technologies of Low-Density Polyethylene Waste. ACS Sustain.Chem. Eng. 11(18), 7170-7181 (2023). DOI:10.1021/acssuschemeng.3c00636. Y. W. Hsiao, D. K. Nguyen, K. W. Yu, W. Q. Zheng, P. Dimitrakellis, and D. G. Vlachos, Enhanced Catalytic Hydrodeoxygenation of Activated Carbon-Supported Metal Catalysts via Rapid Plasma Surface Functionalization. ACS Appl. Mat. Inter. 15(22), 26737-26745 (2023). DOI:10.1021/acsami.3c03447. L. Huang, C. Li, Z. D. An, H. Q. Zhang, D. G. Vlachos, and J. Li, Scale-up preparation, column chromatography-free purification of protected carbonyl-containing biomass molecules and their derivatizations. Green Chem. 25(22), 9363-9373 (2023). DOI:10.1039/d3gc02715e. S. A. Khan, S. Caratzoulas, and D. G. Vlachos, Catalyst Cluster-Induced Support Restructuring. The Journal of Physical Chemistry C 127(45), 22277-22286 (2023). DOI:10.1021/acs.jpcc.3c04950. P. A. Kots, P. A. Doika, B. C. Vance, S. Najmi, and D. G. Vlachos, Tuning High-Density Polyethylene Hydrocracking through Mordenite Zeolite Crystal Engineering. ACS Sustain. Chem. Eng. 11(24), 9000-9009(2023). DOI:10.1021/acssuschemeng.3c01515. P. A. Kots, B. C. Vance, C. M. Quinn, C. Wang, and D. G. Vlachos, A two-stage strategy for upcycling chlorine-contaminated plastic waste. Nature Sustainability 6(10), 1258-1267 (2023). DOI:10.1038/s41893-023-01147-z. S. J. Kurdziel, and D. G. Vlachos, Transition-state correlations for predicting thermochemistry of adsorbates and surface reactions. Phys. Chem. Chem. Phys. 25(12), 8412-8423 (2023). DOI:10.1039/d2cp04425k. Y. Kwak, C. Wang, C. A. Kavale, K. W. Yu, E. Selvam, R. Mallada, J. Santamaria, I. Julian, J. M. CatalaCivera, H. Goyal, W. Q. Zheng, and D. G. Vlachos, Microwave-assisted, performance-advantaged electrification of propane dehydrogenation. Sci. Adv. 9(37), eadi8219 (2023). DOI:10.1126/sciadv.adi8219. S. M. Lambor, S. Kasiraju, and D. G. Vlachos, CKineticsDBAn Extensible and FAIR Data Management Framework and Datahub for Multiscale Modeling in Heterogeneous Catalysis. J. Chem Inf. Model. 63(14),4342-4354 (2023). DOI:10.1021/acs.jcim.3c00123. J. Li, H. Liu, Z. An, Y. Kong, L. Huang, D. Duan, R. Long, P. Yang, Y.-Y. Jiang, J. Liu, J. Zhang, T. Wan, J. Fu, R. Pan, X. Wang, and D. G. Vlachos, Nitrogen-doped carbon for selective pseudo-metal-free hydrodeoxygenation of 5-hydroxymethylfurfural to 2,5-dimethylfuran: Importance of trace iron impurity. J.Catal. 417, 396-407 (2023). DOI:https://doi.org/10.1016/j.jcat.2022.12.021. V. S. Liao, M. Cohen, Y. F. Wang, and D. G. Vlachos, Deducing subnanometer cluster size and shape distributions of heterogeneous supported catalysts. Nat. Commun. 14(1), 14 (2023). DOI:10.1038/s41467-023-37664-w. Z. X. Lin, S. Deshpande, S. R. Denny, W. N. Porter, C. Wang, J. Marlowe, P. Christopher, W. Q. Zheng, S. Caratzoulas, D. G. Vlachos, and J. G. Chen, Mechanistic Understanding of Ring-Opening of Tetrahydrofurfuryl Alcohol over WOx-Modified Pt Model Surfaces and Powder Catalysts. ACS Catal. 13(12),8014-8024 (2023). DOI:10.1021/acscatal.3c01287. Y. L. Liu, X. Zong, A. Patra, S. Caratzoulas, and D. G. Vlachos, Propane Dehydrogenation on PtxSny (x, y ≤4) Clusters on Al2O3(110). ACS Catal. 13(5), 2802-2812 (2023). DOI:10.1021/acscatal.2c05671. Z. C. Liu, X. Zong, D. G. Vlachos, I. A. W. Filot, and E. J. M. Hensen, A computational study of electrochemical CO2 reduction to formic acid on metal-doped SnO2. Chinese Journal of Catalysis 50, 249-259(2023). DOI:10.1016/s1872-2067(23)64476-6. Z. X. Liu, S. C. Cheng, E. Schulman, W. Q. Chen, D. G. Vlachos, Y. Y. Shu, D. T. Tran, and D. X. Liu, Direct non-oxidative methane coupling on vitreous silica supported iron catalysts. Catalysis Today 416(1), 113873(2023). DOI:10.1016/j.cattod.2022.08.015. Y. Luo, Z. Wang, P. Srinivasan, D. G. Vlachos, and M. Ierapetritou, Process Design and Bayesian Optimization of 5-Hydroxymethylfurfural Hydrodeoxygenation, in Computer Aided Chemical Engineering, A.C. Kokossis, M.C. Georgiadis, and E. Pistikopoulos, Editors. 2023, Elsevier. p. 2185-2191. DOI:https://doi.org/10.1016/B978-0-443-15274-0.50348-6. 3Y. Q. Luo, E. Selvam, D. G. Vlachos, and M. Ierapetritou, Economic and Environmental Benefits of Modular Microwave-Assisted Polyethylene Terephthalate Depolymerization. ACS Sustain. Chem. Eng. 11(10), 4209-4218 (2023). DOI:10.1021/acssuschemeng.2c07203. B. Medasani, S. Kasiraju, and D. G. Vlachos, OpenMKM: An Open-Source C plus plus Multiscale Modeling Simulator for Homogeneous and Heterogeneous Catalytic Reactions. J. Chem Inf. Model. 63(11), 3377-3391(2023). DOI:10.1021/acs.jcim.3c00088. A. Mittal, S. Bhattacharyya, M. Marino, T. Y. Chen, P. Desir, M. Ierapetritou, and D. G. Vlachos, Effect of Scale-Up on Mass Transfer and Flow Patterns in Liquid-Liquid Flows Using Experiments and Computations. Ind. Eng. Chem. Res. 62(37), 15006-15017 (2023). DOI:10.1021/acs.iecr.3c02284. S. Najmi, B. C. Vance, E. Selvam, D. Huang, and D. G. Vlachos, Controlling PET oligomers vs monomers via microwave-induced heating and swelling. Chem. Eng. J. 471, 144712 (2023). DOI:https://doi.org/10.1016/j.cej.2023.144712. D. K. Nguyen, V. Vargheese, V. Liao, P. Dimitrakellis, S. Sourav, W. Q. Zheng, and D. G. Vlachos, PlasmaEnabled Ligand Removal for Improved Catalysis: Furfural Conversion on Pd/SiO2. ACS Nano 17(21), 21480-21492 (2023). DOI:10.1021/acsnano.3c06310. N. R. Quiroz, T. H. Chen, S. Caratzoulas, and D. G. Vlachos, Direct Brønsted Acid-Catalyzed Dehydration of Glucose to HMF in Methyl Isobutyl Ketone. ACS Catal. 13(21), 14221-14232 (2023). DOI:10.1021/acscatal.3c03153. N. R. Quiroz, T. H. Chen, T. Y. Chen, S. Caratzoulas, and D. G. Vlachos, Unexpected Kinetic Solvent Effects Enhance Activity and Selectivity in Biphasic Systems. ACS Catal. 13(12), 7942-7954 (2023). DOI:10.1021/acscatal.3c00894. E. Selvam, P. A. Kots, B. Hernandez, A. Malhotra, W. Chen, J. M. Catala-Civera, J. Santamaria, M.Ierapetritou, and D. G. Vlachos, Plastic waste upgrade to olefins via mild slurry microwave pyrolysis over solid acids. Chem. Eng. J. 454(Part 3), 140332 (2023). DOI:https://doi.org/10.1016/j.cej.2022.140332. E. Selvam, Y. Luo, M. Ierapetritou, R. F. Lobo, and D. G. Vlachos, Microwave-assisted depolymerization of PET over heterogeneous catalysts. Catalysis Today 418, 114124 (2023). DOI:https://doi.org/10.1016/j.cattod.2023.114124. S. Shi, S. Lee, C. Dun, W. Zheng, J. J. Urban, S. Caratzoulas, and D. G. Vlachos, Facet-dependent strong metal-support interactions control the C–O bond activation. Chem Catalysis, 100788 (2023). DOI:https://doi.org/10.1016/j.checat.2023.100788. S. Shi, P. P. Yang, C. Dun, W. Q. Zheng, J. J. Urban, and D. G. Vlachos, Selective hydrogenation via precise hydrogen bond interactions on catalytic scaffolds. Nat. Commun. 14(1), 429 (2023). DOI:10.1038/s41467-023-36015-z. S. Srinivas, K. Srivastava, K. W. Yu, D. G. Vlachos, and S. Caratzoulas, Effect of Co/SiO₂ Single-Site Heterogeneity on Small Alkane Dehydrogenation Kinetics. ACS Catal. 13(23), 15641-15651(2023). DOI:10.1021/acscatal.3c03273. S. Srinivas, D. G. Vlachos, and S. Caratzoulas, Spin-crossing in heterogeneous ethane dehydrogenation by atomically dispersed Co/SiO2. Chem Catalysis, 100534 (2023). DOI:https://doi.org/10.1016/j.checat.2023.100534. B. C. Vance, P. A. Kots, C. Wang, J. E. Granite, and D. G. Vlachos, Ni/SiO2 catalysts for polyolefin deconstruction via the divergent hydrogenolysis mechanism. Appl. Catal. B-Environ. 322, 122138 (2023). DOI:https://doi.org/10.1016/j.apcatb.2022.122138. B. C. Vance, S. Najmi, P. A. Kots, C. Wang, S. Jeon, E. A. Stach, D. N. Zakharov, N. Marinkovic, S. N.Ehrlich, L. Ma, and D. G. Vlachos, Structure–Property Relationships for Nickel Aluminate Catalysts in Polyethylene Hydrogenolysis with Low Methane Selectivity. JACS Au 3(8), 2156-2165 (2023). DOI:10.1021/jacsau.3c00232. C. Wang, S. Sourav, K. W. Yu, Y. Kwak, W. Q. Zheng, and D. G. Vlachos, Green Syngas Production by Microwave-Assisted Dry Reforming of Methane on Doped Ceria Catalysts. ACS Sustain. Chem. Eng. 11(36),13353-13362 (2023). DOI:10.1021/acssuschemeng.3c02693. P. Wang, S. Song, M. He, C. Li, W. Wang, H. Li, X. Yuan, Z. Fang, K. P. Rinel, W. Song, J. Li, D. G.Vlachos, and Z. Li, High-density defects in ordered macroporous-mesoporous CoNiFe-LDHs for efficient and robust oxygen evolution reaction. Chem Catalysis, 100497 (2023). DOI:https://doi.org/10.1016/j.checat.2022.100497. J. C. Wilson, S. Caratzoulas, D. G. Vlachos, and Y. S. Yan, Insights into solvent and surface charge effects on Volmer step kinetics on Pt (111). Nat. Commun. 14(1), 2384 (2023). DOI:10.1038/s41467-023-37935-6. A. Worrad, S. Sourav, S. Caratzoulas, and D. G. Vlachos, Ab Initio Molecular Dynamics Spectra for Characterization of Hydrated Al2O3 Supported MoOx. J. Phys. Chem. C 127(44), 21635-21643 (2023). DOI:10.1021/acs.jpcc.3c05499. Y. R. Wu, S. Sourav, A. Worrad, J. H. Zhou, S. Caratzoulas, G. Tsilomelekis, W. Q. Zheng, and D. G. Vlachos, Dynamic Formation of Bronsted Acid Sites over Supported WO (x) /Pt on SiO2 Inverse Catalysts:Spectroscopy, Probe Chemistry, and Calculations. ACS Catal. 13(11), 7371-7382 (2023). DOI:10.1021/acscatal.3c00279. G. R. Yan, and D. G. Vlachos, Unraveling Multiscale Kinetics over Subnanometer Cluster Catalysts: H2 Desorption from Pt<3(-H)2/γ-Al2O3(110). ACS Catal. 13(16), 10602-10614 (2023). DOI:10.1021/acscatal.3c02014. P. Yang, J. Li, D. G. Vlachos, and S. Caratzoulas, Tuning Active Site Flexibility by Defect Engineering of Graphene Ribbon Edge-hosted Fe−N3 Sites. Angewandte Chemie International Edition, e202311174 (2023). DOI:https://doi.org/10.1002/anie.202311174. K. W. Yu, C. Wang, W. Q. Zheng, and D. G. Vlachos, Dynamic Electrification of Dry Reforming of Methane with In Situ Catalyst Regeneration. ACA Energy Letters 8(2), 1050-1057 (2023). DOI:10.1021/acsenergylett.2c02666. M. Zare, P. A. Kots, S. Caratzoulas, and D. G. Vlachos, Conformations of polyolefins on platinum catalysts control product distribution in plastics recycling. Chemical Science 14(8), 1966-1977 (2023). DOI:10.1039/d2sc04772a. J. Zhou, A. Worrad, Y. Wang, K. Yu, S. Deshpande, J. A. Boscoboinik, S. Caratzoulas, W. Zheng, and D. G. Vlachos, The role of the metal core in the performance of WOx inverse catalysts. Chem Catalysis, 100756(2023). DOI:https://doi.org/10.1016/j.checat.2023.100756. J. Zhou, P. Yang, P. A. Kots, M. Cohen, Y. Chen, C. M. Quinn, M. D. de Mello, J. Anibal Boscoboinik, W. J. Shaw, S. Caratzoulas, W. Zheng, and D. G. Vlachos, Tuning the reactivity of carbon surfaces with oxygencontaining functional groups. Nat. Commun. 14(1), 2293 (2023). DOI:10.1038/s41467-023-37962-3. X. Zong, J. Lym, and D. G. Vlachos, Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software. Comput. Phys. Commun. 290, 108754 (2023). DOI:https://doi.org/10.1016/j.cpc.2023.108754. X. Zong, and D. G. Vlachos, Reconciling experimental catalytic data stemming from structure sensitivity. Chemical Science 14(16), 4337-4345 (2023). DOI:10.1039/d2sc06819b.