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Srinivas Rangarajan, Ph.D. - Publications

Affiliations: 
2013 Chemical Engineering University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Chemical Engineering
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26 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Chang CF, Rangarajan S. Machine Learning and Informatics Based Elucidation of Reaction Pathways for Upcycling Model Polyolefin to Aromatics. The Journal of Physical Chemistry. A. 127: 2958-2966. PMID 36975726 DOI: 10.1021/acs.jpca.3c01444  0.301
2020 Bhandari S, Rangarajan S, Mavrikakis M. Combining Computational Modeling with Reaction Kinetics Experiments for Elucidating the Nature of the Active Site in Catalysis. Accounts of Chemical Research. PMID 32869965 DOI: 10.1021/Acs.Accounts.0C00340  0.475
2020 Salazar N, Rangarajan S, Rodríguez-Fernández J, Mavrikakis M, Lauritsen JV. Site-dependent reactivity of MoS nanoparticles in hydrodesulfurization of thiophene. Nature Communications. 11: 4369. PMID 32868769 DOI: 10.1038/S41467-020-18183-4  0.41
2020 Bhandari S, Rangarajan S, Maravelias CT, Dumesic JA, Mavrikakis M. Reaction Mechanism of Vapor-Phase Formic Acid Decomposition over Platinum Catalysts: DFT, Reaction Kinetics Experiments, and Microkinetic Modeling Acs Catalysis. 10: 4112-4126. DOI: 10.1021/Acscatal.9B05424  0.597
2020 Göltl F, Murray EA, Tacey SA, Rangarajan S, Mavrikakis M. Comparing the performance of density functionals in describing the adsorption of atoms and small molecules on Ni(111) Surface Science. 700: 121675. DOI: 10.1016/J.Susc.2020.121675  0.418
2017 Rangarajan S, Maravelias CT, Mavrikakis M. Sequential-Optimization-Based Framework for Robust Modeling and Design of Heterogeneous Catalytic Systems The Journal of Physical Chemistry C. 121: 25847-25863. DOI: 10.1021/Acs.Jpcc.7B08089  0.61
2016 Rangarajan S, Mavrikakis M. On the Preferred Active Sites of Promoted MoS2 for Hydrodesulfurization with Minimal Organonitrogen Inhibition Acs Catalysis. 7: 501-509. DOI: 10.1021/Acscatal.6B02735  0.506
2016 Rangarajan S, Mavrikakis M. DFT Insights into the Competitive Adsorption of Sulfur- and Nitrogen-Containing Compounds and Hydrocarbons on Co-Promoted Molybdenum Sulfide Catalysts Acs Catalysis. 6: 2904-2917. DOI: 10.1021/Acscatal.6B00058  0.504
2016 Yeh Y, Gorte RJ, Rangarajan S, Mavrikakis M. Adsorption of Small Alkanes on ZSM-5 Zeolites: Influence of Brønsted Sites The Journal of Physical Chemistry C. 120: 12132-12138. DOI: 10.1021/Acs.Jpcc.6B03855  0.472
2015 Zhang Y, Yu J, Yeh YH, Gorte RJ, Rangarajan S, Mavrikakis M. An Adsorption Study of CH4 on ZSM-5, MOR, and ZSM-12 Zeolites Journal of Physical Chemistry C. 119: 28970-28978. DOI: 10.1021/Acs.Jpcc.5B09571  0.47
2015 Elnabawy AO, Rangarajan S, Mavrikakis M. Computational chemistry for NH3 synthesis, hydrotreating, and NOx reduction: Three topics of special interest to Haldor Topsøe Journal of Catalysis. 328: 26-35. DOI: 10.1016/J.Jcat.2014.12.018  0.482
2015 Jogwar SS, Rangarajan S, Daoutidis P. Reduction of complex energy-integrated process networks using graph theory Computers and Chemical Engineering. 79: 46-58. DOI: 10.1016/J.Compchemeng.2015.04.025  0.754
2015 Allan D, Marvin WA, Rangarajan S, Daoutidis P. Optimization and Analysis of Chemical Synthesis Routes for the Production of Biofuels Computer Aided Chemical Engineering. 37: 1103-1108. DOI: 10.1016/B978-0-444-63577-8.50029-2  0.565
2015 Rangarajan S, Mavrikakis M. Adsorption of nitrogen- and sulfur-containing compounds on NiMoS for hydrotreating reactions: A DFT and vdW-corrected study Aiche Journal. 61: 4036-4050. DOI: 10.1002/Aic.15025  0.509
2014 Rangarajan S, Brydon RRO, Bhan A, Daoutidis P. Automated identification of energetically feasible mechanisms of complex reaction networks in heterogeneous catalysis: Application to glycerol conversion on transition metals Green Chemistry. 16: 813-823. DOI: 10.1039/C3Gc41386A  0.625
2014 Rangarajan S, Kaminski T, Van Wyk E, Bhan A, Daoutidis P. Language-oriented rule-based reaction network generation and analysis: Algorithms of RING Computers and Chemical Engineering. 64: 124-137. DOI: 10.1016/J.Compchemeng.2014.02.007  0.558
2014 Rangarajan S, Bhan A, Daoutidis P. Identification and analysis of synthesis routes in complex catalytic reaction networks for biomass upgrading Applied Catalysis B: Environmental. 145: 149-160. DOI: 10.1016/J.Apcatb.2013.01.030  0.604
2014 Heo S, Rangarajan S, Daoutidis P, Jogwar SS. Graph reduction of complex energy-integrated networks: Process systems applications Aiche Journal. 60: 995-1012. DOI: 10.1002/Aic.14341  0.748
2013 Jogwar SS, Rangarajan S, Daoutidis P. Graph-theoretic analysis of complex energy integrated networks Ifac Proceedings Volumes (Ifac-Papersonline). 10: 117-122. DOI: 10.3182/20131218-3-In-2045.00058  0.755
2013 Marvin WA, Rangarajan S, Daoutidis P. Automated generation and optimal selection of biofuel-gasoline blends and their synthesis routes Energy and Fuels. 27: 3585-3594. DOI: 10.1021/Ef4003318  0.6
2013 Daoutidis P, Kelloway A, Marvin WA, Rangarajan S, Torres AI. Process systems engineering for biorefineries: New research vistas Current Opinion in Chemical Engineering. 2: 442-447. DOI: 10.1016/J.Coche.2013.09.006  0.533
2013 Daoutidis P, Marvin WA, Rangarajan S, Torres AI. Engineering Biomass Conversion Processes: A Systems Perspective Aiche Journal. 59: 3-18. DOI: 10.1002/Aic.13978  0.504
2012 Rangarajan S, Bhan A, Daoutidis P. Language-oriented rule-based reaction network generation and analysis: Description of RING Computers and Chemical Engineering. 45: 114-123. DOI: 10.1016/J.Compchemeng.2012.06.008  0.599
2011 Jogwar SS, Rangarajan S, Daoutidis P. Multi-time scale dynamics in energy-integrated networks: A graph theoretic analysis Ifac Proceedings Volumes (Ifac-Papersonline). 18: 6085-6090. DOI: 10.3182/20110828-6-It-1002.00770  0.752
2011 Rangarajan S, Kaminski T, Wyk EV, Bhan A, Daoutidis P. Network generation and analysis of complex biomass conversion systems Computer Aided Chemical Engineering. 29: 1743-1747. DOI: 10.1016/B978-0-444-54298-4.50127-6  0.611
2010 Rangarajan S, Bhan A, Daoutidis P. Rule-based generation of thermochemical routes to biomass conversion Industrial and Engineering Chemistry Research. 49: 10459-10470. DOI: 10.1021/Ie100546T  0.602
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