Publications

Kassem, N. ., Sills, D. ., Posmanik, R. ., Blair, C. ., & Tester, J. . W. (2020). Combining anaerobic digestion and hydrothermal liquefaction in the conversion of dairy waste into energy: A techno economic model for New York state. Waste Management, 103, 228-239. https://doi.org/10.1016/j.wasman.2019.12.029 (Original work published 2025)

Kim, S. . H., Rubiera Landa, H. O., Ravutla, S. ., Realff, M. . J., & Boukouvala, F. . (2020). Data-Driven Simultaneous Process Optimization and Adsorbent Selection for Modular Vacuum Pressure Swing Adsorption. AIChE Journal, 188, 1013-1028. https://doi.org/https://doi.org/10.1016/j.cherd.2022.10.002 (Original work published 2025)

Wu, S. ., Tatarchuk, B. ., & Adamczyk, A. . J. (2020). Ethylene oxide formation on Ag(111) with promoters: Reaction pathway analysis using DFT calculations. RSC Reaction Chemistry & Engineering.

Cao, K. ., Siddhamshetty, P. ., Ahn, Y. ., El-Halwagi, M. . M., & Kwon, J. . S.-I. (2020). Evaluating the spatiotemporal variability of water recovery ratios of shale gas wells and their effects on shale gas development. Journal of Cleaner Production, 276, 123171. https://doi.org/10.1016/j.jclepro.2020.123171 (Original work published 2025)

Bingel, L. . W., Chen, A. ., Agrawal, M. ., & Sholl, D. . S. (2020). Experimentally Verified Alcohol Adsorption Isotherms in Nanoporous Materials from Literature Meta-Analysis. Journal of Chemical and Engineering Data, 65, 4970-4979. https://doi.org/10.1021/acs.jced.0c00598 (Original work published 2025)

Feng, J. ., Lansford, J. . L., Katsoulakis, M. . A., & Vlachos, D. . G. (2020). Explainable and trustworthy artificial intelligence for correctable modeling in chemical sciences. Science Advances, 6, 3204-3218. https://doi.org/10.1126/sciadv.abc3204 (Original work published 2025)

Chen, T.-Y. ., Cheng, Z. ., Desir, P. ., Saha, B. ., & Vlachos, D. . G. (2020). Fast microflow kinetics and acid catalyst deactivation in glucose conversion to 5-hydroxymethylfurfural. Reaction Chemistry & Engineering, 6, 152-164. https://doi.org/10.1039/d0re00391c (Original work published 2025)

Hensen, E. . J. M., Vlachos, D. . G., Wang, Y. ., & Su, Y. . Q. (2020). Finite-temperature structures of supported subnanometer catalysts inferred via statistical learning and genetic algorithm-based optimization. ACS Nano, 14, 13995-14007. https://doi.org/10.1021/acsnano.0c06472 (Original work published 2025)

Nadella, M. ., Sharma, R. ., & Chellam, S. . (2020). Fit-for-purpose treatment of produced water with iron and polymeric coagulant for reuse in hydraulic fracturing: Temperature effects on aggregation and high-rate sedimentation. Water Research, 170, 115330. https://doi.org/10.1016/j.watres.2019.115330 (Original work published 2025)

Wang, Y. ., Caiola, A. ., Robinson, B. ., Li, Q. ., & Hu, J. . (2020). Hierarchical Galloaluminosilicate MFI Catalysts for Ethane Nonoxidative Dehydroaromatization. Energy & Fuels, 34, 3100-3109. https://doi.org/10.1021/acs.energyfuels.9b04457 (Original work published 2025)

Kassem, N. ., Hockey, J. ., Lopez, C. ., Lardon, L. ., Angenent, L. . T., & Tester, J. . W. (2020). Integrating anaerobic digestion, hydrothermal liquefaction, and biomethanation within a power-to-gas framework for dairy waste management and grid decarbonization: a techno-economic assessment. Sustainable Energy & Fuels, 4, 4644-4661. https://doi.org/10.1039/D0SE00608D (Original work published 2025)

Tolley, T. . E., & Fronk, B. . M. (2020). Investigation of the benefits of diabatic microreactors for process intensification of the water-gas shift reaction within the steam reforming process. International Journal of Hydrogen Energy, 45, 31507-31522. https://doi.org/10.1016/j.ijhydene.2020.08.282 (Original work published 2025)

Manoharan, S. ., Summerville, S. ., Freiberg, L. ., Coblyn, M. ., Touma, J. . G., Jovanovic, G. ., & Paul, B. . K. (2020). Manufacturing Process Design of a Micro-Scale Liquid-Liquid Extractor and Multi-phase Separator. Journal of Manufacturing Processes, 56, 1381-1391. https://doi.org/https://doi.org/10.1016/j.jmapro.2020.04.034 (Original work published 2025)

Mirzababaei, S. ., Paul, B. . K., & Pasebani, S. . (2020). Metal Powder Recyclability in Binder Jet Additive Manufacturing. JOM, 72, 3070-3079. https://doi.org/10.1007/s11837-020-04258-6 (Original work published 2025)

Goyal, H. ., Sadula, S. ., & Vlachos, D. . G. (2020). Microwave heating of slurries. Chemical Engineering Journal, 417, 127892. https://doi.org/10.1016/j.cej.2020.127892 (Original work published 2025)

DeJaco, R. . F., Loprete, K. ., Pennisi, K. ., Majumdar, S. ., Siepmann, I. ., Daoutidis, P. ., … Tsapatsis, M. . (2020). Modeling and simulation of gas separations with spiral-wound membranes. AIChE Journal, 66. https://doi.org/10.1002/aic.16274 (Original work published 2025)

Goyal, H. ., & Vlachos, D. . G. (2020). Multiscale modeling of microwave-heated multiphase systems. Chemical Engineering Journal, 397, 125262. https://doi.org/10.1016/j.cej.2020.125262 (Original work published 2025)

Chen, T.-Y. ., Baker-Fales, M. ., & Vlachos, D. . G. (2020). Operation and Optimization of Microwave-Heated Continuous-Flow Microfluidics. Industrial & Engineering Chemistry Research, 59, 10418-10427. https://doi.org/10.1021/acs.iecr.0c01650 (Original work published 2025)

Peterson, C. . A., & Brown, R. . C. (2020). Oxidation kinetics of biochar from woody and herbaceous biomass. Chemical Engineering Journal, 401, 126043. https://doi.org/10.1016/j.cej.2020.126043 (Original work published 2025)

Peterson, C. . A., Lindstrom, J. . K., Polin, J. . P., Cady, S. . D., & Brown, R. . C. (2020). Oxidation of phenolic compounds during autothermal pyrolysis of lignocellulose. Journal of Analytical and Applied Pyrolysis, 149, 104853. https://doi.org/10.1016/j.jaap.2020.104853 (Original work published 2025)

Paul, B. . K., Lee, K. ., He, Y. ., Ghayoor, M. ., Chang, C. . hung, & Pasebani, S. . (2020). Oxide dispersion strengthened 304 L stainless steel produced by ink jetting and laser powder bed fusion. CIRP Annals, 69, 193-196. https://doi.org/10.1016/j.cirp.2020.04.071 (Original work published 2025)

Thakur, A. . K., Hsieh, I.-M. ., Islam, M. . R., Lin, B. ., Chen, C.-C. ., & Malmali, M. . (2020). Performance of sweeping gas membrane distillation for treating produced water: Modeling and experiments. Desalination, 492, 114597. https://doi.org/10.1016/j.desal.2020.114597 (Original work published 2025)

Tun, H. ., & Chen, C.-C. . (2020). Prediction of mixed-gas adsorption equilibria from pure component adsorption isotherms. AIChE Journal, 66, e16243. https://doi.org/10.1002/aic.16243 (Original work published 2025)

Rollag, S. . A., Lindstrom, J. . K., & Brown, R. . C. (2020). Pretreatments for the continuous production of pyrolytic sugar from lignocellulosic biomass. Chemical Engineering Journal, 385, 123889. https://doi.org/10.1016/j.cej.2019.123889 (Original work published 2025)

Lym, J. ., Wittreich, G. . R., & Vlachos, D. . G. (2020). A Python Multiscale Thermochemistry Toolbox (pMuTT) for thermochemical and kinetic parameter estimation. Computer Physics Communications, 247, 106864. https://doi.org/10.1016/j.cpc.2019.106864 (Original work published 2025)

Gupta, U. ., & Vlachos, D. . G. (2020). Reaction Network Viewer (ReNView): An open-source framework for reaction path visualization of chemical reaction systems. SoftwareX, 11, 100442. https://doi.org/10.1016/j.softx.2020.100442 (Original work published 2025)

Merrill, E. ., & Fern, A. . (2020). Sample-Based Point Cloud Decoder Networks. International Conference on Learning Representations. Retrieved from https://openreview.net/forum?id=SklVI1HKvH

Goyal, H. ., Mehdad, A. ., Lobo, R. . F., Stefanidis, G. . D., & Vlachos, D. . G. (2020). Scaleup of a Single-Mode Microwave Reactor. Industrial and Engineering Chemistry Research, 59, 2516-2523. https://doi.org/10.1021/acs.iecr.9b04491 (Original work published 2025)

Prodinger, S. ., Verstreken, M. . F. K., & Lobo, R. . F. (2020). Selective and Efficient Production of Biomass-Derived Vinylfurans. ACS Sustainable Chemistry & Engineering, 8, 11930-11939. https://doi.org/10.1021/acssuschemeng.0c00119 (Original work published 2025)

Ghayoor, M. ., Lee, K. ., He, Y. ., Chang, C. . hung, Paul, B. . K., & Pasebani, S. . (2020). Selective laser melting of 304L stainless steel: Role of volumetric energy density on the microstructure, texture and mechanical properties. Additive Manufacturing, 32, 101011. https://doi.org/10.1016/j.addma.2019.101011 (Original work published 2025)

Wang, Z. ., Bhattacharyya, S. ., & Vlachos, D. . G. (2020). Solvent selection for biphasic extraction of 5-hydroxymethylfurfural: Via multiscale modeling and experiments. Green Chemistry, 22, 8699-8712. https://doi.org/10.1039/d0gc03251d (Original work published 2025)

Su, Y. . Q., Zhang, L. ., Wang, Y. ., Liu, J. . X., Muravev, V. ., Alexopoulos, K. ., … Hensen, E. . J. M. (2020). Stability of heterogeneous single-atom catalysts: a scaling law mapping thermodynamics to kinetics. Npj Computational Materials, 6, 144. https://doi.org/10.1038/s41524-020-00411-6 (Original work published 2025)

Kim, S. . H., & Boukouvala, F. . (2020). Surrogate-based optimization for mixed-integer nonlinear problems. Computers & Chemical Engineering, 140, 106847. https://doi.org/10.1016/j.compchemeng.2020.106847 (Original work published 2025)

Kassem, N. ., Hockey, J. ., Beyers, S. ., Lopez, C. ., Goldfarb, J. . L., Angenent, L. . T., & Tester, J. . W. (2020). Sustainable district energy integrating biomass peaking with geothermal baseload heating: A case study of decarbonizing Cornell’s energy system. Journal of Renewable and Sustainable Energy, 12, 066302. https://doi.org/10.1063/5.0024841 (Original work published 2025)

Tian, Y. ., Pappas, I. ., Burnak, B. ., Katz, J. ., & Pistikopoulos, E. . N. (2020). A Systematic Framework for the synthesis of operable process intensification systems - Reactive separation systems. Computers & Chemical Engineering, 134, 106675. https://doi.org/10.1016/j.compchemeng.2019.106675 (Original work published 2025)

Bhattacharjee, H. ., & Vlachos, D. . G. (2020). Thermochemical data fusion using graph representation learning. Journal of Chemical Information and Modeling, 60, 4673-4683. https://doi.org/10.1021/acs.jcim.0c00699 (Original work published 2025)

Tian, Y. ., & Pistikopoulos, E. . N. (2020). Toward an Envelope of Design Solutions for Combined/Intensified Reaction/Separation Systems. Industrial & Engineering Chemistry Research, 59, 11350-11354. https://doi.org/10.1021/acs.iecr.0c01196 (Original work published 2025)

Lansford, J. . L., & Vlachos, D. . G. (2020). Spectroscopic Probe Molecule Selection Using Quantum Theory, First-Principles Calculations, and Machine Learning. ACS Nano, 14, 17295–17307. https://doi.org/https://doi.org/10.1021/acsnano.0c07408 (Original work published 2025)

Ghayoor, M. ., Lee, K. ., He, Y. ., Chang, C.-H. ., Paul, B. . K., & Pasebani, S. . (2020). Selective laser melting of austenitic oxide dispersion strengthened steel: Processing, microstructural evolution and strengthening mechanisms. Materials Science and Engineering A, 788, 13532. https://doi.org/https://doi.org/10.1016/j.msea.2020.139532 (Original work published 2025)

Fernandez Rivas, D. ., Boffito, D. . C., Faria-Albanese, J. ., Glassey, J. ., Afraz, N. ., Akse, H. ., … Weber, R. . S. (2020). Process intensification education contributes to sustainable development goals. Part 1. Education for Chemical Engineers, 32, 1-14. https://doi.org/10.1016/j.ece.2020.04.003 (Original work published 2025)

Fernandez Rivas, D. ., Boffito, D. . C., Faria-Albanese, J. ., Glassey, J. ., Cantin, J. ., Afraz, N. ., … Weber, R. . S. (2020). Process intensification education contributes to sustainable development goals. Part 2. Education for Chemical Engineers, 32, 15-24. https://doi.org/10.1016/j.ece.2020.05.001 (Original work published 2025)

Demirel, S. . E., Li, J. ., El-Halwagi, M. ., & Hasan, M. . M. F. (2020). Sustainable Process Intensification Using Building Blocks. ACS Sustainable Chemistry & Engineering, 8, 17664-17679. https://doi.org/10.1021/acssuschemeng.0c04590 (Original work published 2025)

Avraamidou, S. ., Baratsas, S. . G., Tian, Y. ., & Pistikopoulos, E. . N. (2020). Circular Economy - A challenge and an opportunity for Process Systems Engineering. Computers & Chemical Engineering, 133, 106629. https://doi.org/https://doi.org/10.1016/j.compchemeng.2019.106629 (Original work published 2025)

Arora, A. ., Li, J. ., Zantye, M. . S., & Hasan, M. . M. F. (2020). Design standardization of unit operations for reducing the capital intensity and cost of small-scale chemical processes. AIChE Journal, 66, e16802. https://doi.org/10.1002/aic.16802 (Original work published 2025)

Ashraf, A. ., Tacchino, S. ., Peela, N. . R., Ercolino, G. ., Gill, K. . K., Vlachos, D. . G., & Specchia, S. . (2020). Experimental Insights into the Coupling of Methane Combustion and Steam Reforming in a Catalytic Plate Reactor in Transient Mode. Industrial & Engineering Chemistry Research, 60, 196-209. https://doi.org/10.1021/acs.iecr.0c04837 (Original work published 2025)

Chen, C.-C. ., Gorensek, M. . B., Scott, J. . K., & Palou-Rivera, I. . (2020). Process Modeling of Intensified Chemical Processes. Chemical Engineering Progress, 116, 35–42. Retrieved from https://www.aiche.org/system/files/cep/20200335.pdf (Original work published 2025)

Brown, R. . C. (2020). Process Intensification through Directly Coupled Autothermal Operation of Chemical Reactors. Joule, 4, 2268-2289. https://doi.org/https://doi.org/10.1016/j.joule.2020.09.006 (Original work published 2025)

Caudle, B. ., Gorensek, M. . B., & Chen, C.-C. . (2020). A Novel Approach to Modeling Biomass Pyrolysis in a Fluidized Bed Reactor. ACS Sustainable Chemistry & Engineering, 8, 14605–14615. https://doi.org/https://doi.org/10.1021/acssuschemeng.0c05783 (Original work published 2025)

Peng, Y. ., Shinde, P. ., & Reddy, R. . G. (2020). Nucleation Study on Deposition of Aluminum from 1-Butyl-3-Methylimidazolium Chloride and Aluminum Chloride Ionic Liquid Electrolyte. ECS Transactions, 98, 199. https://doi.org/10.1149/09810.0199ecst

Summerville, S. ., Coblyn, M. ., Jovanovic, G. ., & Paul, B. . K. (2020). Teaching Manufacturing Process Design as a Means for Competitive Advantage in Chemical Process Industries. Procedia Manufacturing, 48, 1109-1119. https://doi.org/https://doi.org/10.1016/j.promfg.2020.05.152