Publications

Bestwick, T. ., Beckmann, J. ., & Camarda, K. . V. (2023). Using Artificial Neural Networks to Predict Physical Properties of Membrane Polymers. Chemie Ingenieur Technik, 95, 363–367. https://doi.org/https://doi.org/10.1002/cite.202200102 (Original work published 2025)

Baker-Fales, M. ., Chen, T.-Y. ., & Vlachos, D. . G. (2023). Scale-up of microwave-assisted, continuous flow, liquid phase reactors: Application to 5-Hydroxymethylfurfural production. Chemical Engineering Journal, 454, 139985. https://doi.org/https://doi.org/10.1016/j.cej.2022.139985 (Original work published 2025)

Liu, Y. ., Zong, X. ., Patra, A. ., Caratzoulas, S. ., & Vlachos, D. . G. (2023). Propane Dehydrogenation on PtxSny (x, y ≤ 4) Clusters on Al2O3(110). ACS Catalysis, 13, 2802-2812. https://doi.org/https://doi.org/10.1021/acscatal.2c05671 (Original work published 2025)

Blaine, M. ., & Realff, M. . J. (2023). Technoeconomic assessment of distillation heat transfer intensification using aeroelastically fluttering reeds. Journal of Advanced Manufacturing and Processing, 5, e10153. https://doi.org/https://doi.org/10.1002/amp2.10153 (Original work published 2025)

Cameli, F. ., Dimitrakellis, P. ., & Vlachos, D. . G. (2023). Direct conversion of ethane to oxygenates ethylene and hydrogen in a noncatalytic biphasic plasma microreactor. ACS Sustainable Chemistry & Engineering, 11, 8003-8008. https://doi.org/https://doi.org/10.1021/acssuschemeng.3c01594 (Original work published 2025)

Caiola, A. ., Robinson, B. ., Brown, S. ., Wang, X. ., Wang, Y. ., & Hu, J. . (2023). Oxidative ethane dehydrogenation under thermal vs. microwave heating over Ga/ZSM-5 and GaPt/ZSM-5. Catalysis Communications, 176, 106631. https://doi.org/https://doi.org/10.1016/j.catcom.2023.106631 (Original work published 2025)

Kee, B. . L., Dewa, M. ., Akpolat, M. ., Littlewood, P. ., Seaba, J. . P., & Ha, S. . (2023). Continuous caustic aqueous phase electrochemical reforming (CAPER) of ethanol for producing compressed hydrogen. Fuel Processing Technology, 247, 107751. https://doi.org/https://doi.org/10.1016/j.fuproc.2023.107751 (Original work published 2025)

Mahbub, H. ., Saed, M. . A., & Malmali, M. . (2023). Pattern-Dependent Radio Frequency Heating of Laser-Induced Graphene Flexible Heaters. ACS Applied Materials & Interfaces, 15, 18074–18086. https://doi.org/https://doi.org/10.1021/acsami.3c00569 (Original work published 2025)

Hsieh, I.-M. ., Lin, B. ., Mahbu, H. ., Carter, Z. ., Jebur, M. ., Cao, Y. ., … Malmali, M. . (2023). Field demonstration of intensified membrane distillation for treating oilfield produced waters from unconventional wells. Desalination, 564, 116771. https://doi.org/https://doi.org/10.1016/j.desal.2023.116771 (Original work published 2025)

Hamid, U. ., & Chen, C.-C. . (2023). On the Thermodynamic Condition for Adsorption Azeotropes. Langmuir, 39, 16209-16218. https://doi.org/10.1021/acs.langmuir.3c01369

Cao, K. ., Sitapure, N. ., & Kwon, J. . S.-I. (2023). Exploring the benefits of utilizing small modular device for sustainable and flexible shale gas water management. Journal of Cleaner Production, 384, 135282. https://doi.org/https://doi.org/10.1016/j.jclepro.2022.135282 (Original work published 2025)

Yuan, Y. ., Zhao, Z. ., Lobo, R. . F., & Xu, B. . J. (2023). Site Diversity and Mechanism of Metal-Exchanged Zeolite Catalyzed Non-Oxidative Propane Dehydrogenation. Advanced Science, 10, 2207756. https://doi.org/https://doi.org/10.1002/advs.202207756 (Original work published 2025)

Deng, Y. ., & Veser, G. . (2023). Toward Accelerated Activation of Fe-ZSM-5 in Methane Dehydroaromatization. Energy & Fuels, 37, 13282-13295. https://doi.org/https://doi.org/10.1021/acs.energyfuels.3c01790 (Original work published 2025)

Zong, X. ., Lym, J. ., & Vlachos, D. . G. (2023). Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software. Computer Physics Communications, 290, 108754. https://doi.org/https://doi.org/10.1016/j.cpc.2023.108754 (Original work published 2025)

Xu, S. ., Cremaschi, S. ., Eden, M. . R., & Tula, A. . K. (2023). An integrated framework for sustainable process design by hybrid and intensified equipment. Computers & Chemical Engineering, 176, 108288. https://doi.org/https://doi.org/10.1016/j.compchemeng.2023.108288 (Original work published 2025)

Vyawahare, P. ., Hamid, U. ., Sees, M. . D., & Chen, C.-C. . (2023). Addressing spreading pressure dependence of real adsorbed solution theory with generalized Langmuir isotherm. Adsorption, 29, 401-410. https://doi.org/10.1007/s10450-023-00414-x (Original work published 2025)

Worrad, A. ., & Vlachos, D. . G. (2023). Ab Initio Molecular Dynamics Spectra for Characterization of Hydrated Al2O3-Supported MoOx. Journal of Physical Chemistry C, 127, 21635-21643. https://doi.org/10.1021/acs.jpcc.3c05499 (Original work published 2025)

Ghayoor, M. ., Sadeghi, O. ., Cox, B. ., Gess, J. ., & Pasebani, S. . (2023). On the melt pool dynamic of voxel-controlled metal matrix composites via hybrid additive manufacturing: Laser powder bed fusion and ink-jetting. Journal of Manufacturing Processes, 89, 314–327. https://doi.org/https://doi.org/10.1016/j.jmapro.2023.01.059 (Original work published 2025)

Zong, X. ., & Vlachos, D. . G. (2023). Reconciling experimental catalytic data stemming from structure sensitivity. Chemical Science, 14, 4337-4345. https://doi.org/https://doi.org/10.1039/D2SC06819B

Shukre, R. ., Bhaiya, S. ., Hamid, U. ., Tun, H. ., & Chen, C.-C. . (2023). Thermodynamic modeling of adsorption at the liquid-solid interface. Fluid Phase Equilibria, 563, 113573. https://doi.org/https://doi.org/10.1016/j.fluid.2022.113573 (Original work published 2025)

Tian, Y. ., Westmoreland, P. . R., & Li, F. . (2023). CaMn0.9Ti0.1O3 based redox catalysts for chemical looping – Oxidative dehydrogenation of ethane: Effects of Na2MoO4 promoter and degree of reduction on the reaction kinetics. Catalysis Today, 417, 113725. https://doi.org/https://doi.org/10.1016/j.cattod.2022.04.026 (Original work published 2025)

Crislip, J. . C., Lopez, E. ., Armstrong, C. . D., Abu-Lail, L. ., & Teixeira, A. . R. (2023). Enhancing Student Engagement in Unit Operations Laboratory through Augmented Reality. Advances in Engineering Education, 11, 41-57. https://doi.org/10.18260/3-1-1153-36052

Sees, M. . D., Hamid, U. ., Otulana, Y. ., & Chen, C.-C. . (2023). Comparison of Heterogeneous Langmuirian Models for Mixed-Gas Adsorption Equilibria. Industrial & Engineering Chemistry Research, 62, 7160-7174. https://doi.org/10.1021/acs.iecr.3c00318 (Original work published 2025)

Ma, C. ., Wang, Z. ., Sinquefield, S. . A., Shofner, M. . L., & Nair, S. . (2023). Cross-Flow Separation Characteristics and Piloting of Graphene Oxide Nanofiltration Membrane Sheets and Tubes for Kraft Black Liquor Concentration. TAPPI Journal, 22, 585–597. Retrieved from https://imisrise.tappi.org/TAPPI/Products/23/SEP/23SEP585.aspx (Original work published 2025)

Chen, T.-H. ., Vlachos, D. . G., & Caratzoulas, S. . (2023). Ab Initio Molecular Dynamics Study of Pd Nucleation on a γ-Al2O3 Surface. The Journal of Physical Chemistry C, 127, 13911-13917. https://doi.org/https://doi.org/10.1021/acs.jpcc.3c02682 (Original work published 2025)

Raman, S. ., Haapala, K. . R., O’Connor, J. . T., & Paul, B. . K. (2023). Economic Analysis of Distributed Commodity Production using Modular Chemical Process Intensification and Conventional Stick-Built Approaches. Practice Periodical on Structural Design and Construction.

Rodriguez Quiroz, N. ., Chen, T.-H. ., Caratzoulas, S. ., & Vlachos, D. . G. (2023). Direct Brønsted Acid Catalyzed Dehydration of Glucose to HMF in Methyl Isobutyl Ketone. ACS Catalysis, 13, 14221-14232. https://doi.org/10.1021/acscatal.3c03153 (Original work published 2025)

Presson, L. ., Felix, V. ., Hardikar, M. ., Achilli, A. ., & Hickenbottom, K. . (2023). Fouling Characterization and Treatment of Water Reuse Concentrate with Membrane Distillation: Do Organics Really Matter. Desalination, 553, 116443. https://doi.org/https://doi.org/10.1016/j.desal.2023.116443 (Original work published 2025)

Pan, J. ., Lee, J. ., Li, M. ., Trump, B. . A., & Lobo, R. . F. (2022). Comparative investigation of Ga- and In-CHA in the non-oxidative ethane dehydrogenation reaction. Journal of Catalysis, 413, 812-820. https://doi.org/https://doi.org/10.1016/j.jcat.2022.07.018 (Original work published 2025)

Hamid, U. ., Vyawahare, P. ., Tun, H. ., & Chen, C.-C. . (2022). Generalization of thermodynamic Langmuir isotherm for mixed-gas adsorption equilibria. AIChE Journal, 68, e17663. https://doi.org/10.1002/aic.17663

Pawar, R. ., Zhang, Z. ., Rhoades, A. . H., Blotevogel, J. ., & Vidic, R. . (2022). Impact of Organic and Volatile Compounds in Produced Water from Unconventional Reservoirs on Direct Contact Membrane Distillation Permeate Quality. ACS ES&T Water, 2, 1003-1012. https://doi.org/https://doi.org/10.1021/acsestwater.1c00496 (Original work published 2025)

Pan, J. ., Shi, S. ., Yuan, Y. ., & Lobo, R. . F. (2022). Catalytic Dehydrogenation of Ethane over Mn Oxide Supported on Zeolite Chabazite. ChemCatChem, 14, e202200907. https://doi.org/https://doi.org/10.1002/cctc.202200907 (Original work published 2025)

Batchu, S. . P., Hernandez, B. ., Malhotra, A. ., Fang, H. ., Ierapetritou, M. ., & Vlachos, D. . G. (2022). Accelerating manufacturing for biomass conversion via integrated process and bench digitalization: a perspective. Reaction Chemistry & Engineering, 7, 813-832. https://doi.org/10.1039/D1RE00560J

Mohammadi Shamlou, E. ., Vidic, R. ., & Khanna, V. . (2022). Optimization-based modeling and economic comparison of membrane distillation configurations for application in shale gas produced water treatment. Desalination, 526, 115513. https://doi.org/10.1016/j.desal.2021.115513 (Original work published 2025)

Bradley, W. ., Kim, J. ., Kilwein, Z. ., Blakely, L. ., Eydenberg, M. ., Jalvin, J. ., … Boukouvala, F. . (2022). Perspectives on the Integration between First-Principles and Data-Driven Modeling. Computers & Chemical Engineering, 166, 107898. https://doi.org/10.1016/j.compchemeng.2022.107898

Tian, Y. ., Meduri, V. ., Bindlish, R. ., & Pistikopoulos, E. . N. (2022). A Process Intensification synthesis framework for the design of dividing wall column systems. Computers & Chemical Engineering, 160, 107679. https://doi.org/10.1016/j.compchemeng.2022.107679 (Original work published 2025)

Yu, C.-H. ., Lin, Y.-J. ., Wong, D. . S.-H., & Chen, C.-C. . (2022). Process Modeling of CO2 Absorption with Monoethanolamine Aqueous Solutions Using Rotating Packed Beds. Industrial & Engineering Chemistry Research, 61, 12142-12152. https://doi.org/10.1021/acs.iecr.1c04323 (Original work published 2025)

Yuan, Y. ., & Lobo, R. . F. (2022). Propane dehydrogenation over extra-framework In(I) in chabazite zeolites. Chemical Science, 13, 2954-2964. https://doi.org/10.1039/D1SC05866E (Original work published 2025)

Wittreich, G. . R., & Vlachos, D. . G. (2022). Python Group Additivity (pGrAdd) software for estimating species thermochemical properties. Computer Physics Communications, 273, 108277. https://doi.org/10.1016/j.cpc.2021.108277 (Original work published 2025)

Goyal, H. ., Chen, T.-Y. ., Chen, W. ., & Vlachos, D. . G. (2022). A review of microwave-assisted process intensified multiphase reactors. Chemical Engineering Journal, 430, 133183. https://doi.org/10.1016/j.cej.2021.133183 (Original work published 2025)

Baimoldina, A. ., Yang, F. ., Kolla, K. ., Altemose, P. ., Wang, B. ., Clifford, C. ., … Li, L. . (2022). Separating Miscible Liquid–Liquid Mixtures Using Supported Ionic Liquid Membranes. Industrial & Engineering Chemistry Research, 61, 747-753. https://doi.org/10.1021/acs.iecr.1c03938 (Original work published 2025)

Lee, K. ., Doddapaneni, V. . K., Mirzababaei, S. ., Pasebani, S. ., Chang, C.-H. ., & Paul, B. . K. (2022). Synthesis of a 316L stainless steel-copper composite by laser melting. Additive Manufacturing Letters, 3, 100058. https://doi.org/10.1016/j.addlet.2022.100058 (Original work published 2025)

Tanveer, S. ., & Chen, C.-C. . (2022). Thermodynamic analysis of hydrogel swelling in aqueous sodium chloride solutions. Journal of Molecular Liquids, 348, 118421. https://doi.org/10.1016/j.molliq.2021.118421 (Original work published 2025)

Li, Y. ., & Chen, C.-C. . (2022). Thermodynamic modeling of aqueous polyelectrolyte solutions with mixed-valent counterions. The Journal of Chemical Thermodynamics, 169, 106761. https://doi.org/10.1016/j.jct.2022.106761 (Original work published 2025)

Chen, T. ., Honarparvar, S. ., Reible, D. ., & Chen, C.-C. . (2022). Thermodynamic modeling of calcium carbonate scale precipitation: aqueous Na+-Ca2+-Cl–-HCO3–-CO32–-CO2 system. Fluid Phase Equilibria, 552, 113263. https://doi.org/10.1016/j.fluid.2021.113263 (Original work published 2025)

Osterrieth, J. . W. M., Rampersad, J. ., Madden, D. ., Rampal, N. ., Skoric, L. ., Connolly, B. ., … Fairen-Jimenez, D. . (2022). How Reproducible are Surface Areas Calculated from the BET Equation?. Advanced Materials, 34, 2201502. https://doi.org/https://doi.org/10.1002/adma.202201502 (Original work published 2025)

Thakur, A. . K., Mahbub, H. ., Nowrin, F. . H., & Malmali, M. . (2022). Highly Robust Laser-Induced Graphene (LIG) Ultrafiltration Membrane with a Stable Microporous Structure. ACS Applied Materials & Interfaces, 14, 46884-46895. https://doi.org/10.1021/acsami.2c09563 (Original work published 2025)

Reddy, R. ., Malhotra, A. ., Najmi, S. ., Baker-Fales, M. ., Coasey, K. ., Mackay, M. ., & Vlachos, D. . G. (2022). Microwave assisted heating of plastic waste: Effect of plastic/susceptor (SiC) contacting patterns. Chemical Engineering and Processing - Process Intensification, 182, 109202. https://doi.org/https://doi.org/10.1016/j.cep.2022.109202 (Original work published 2025)

Plouffe, C. ., Peterson, C. . A., Rollag, S. . A., & Brown, R. . C. (2022). The role of biochar in the degradation of sugars during fast pyrolysis of biomass. Journal of Analytical and Applied Pyrolysis, 161, 105416. https://doi.org/10.1016/j.jaap.2021.105416 (Original work published 2025)

Rollag, S. . A., Lindstrom, J. . K., Peterson, C. . A., & Brown, R. . C. (2022). The role of catalytic iron in enhancing volumetric sugar productivity during autothermal pyrolysis of woody biomass. Chemical Engineering Journal, 427, 131882. https://doi.org/https://doi.org/10.1016/j.cej.2021.131882 (Original work published 2025)