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Where chemical engineers mix it up.

Ga2O22+ Stabilized by Paired Framework Al Atoms in MFI: A Highly Reactive Site in Nonoxidative Propane Dehydrogenation

Y. Yuan, Lobo, R. F., and Xu, B., “Ga2O22+ Stabilized by Paired Framework Al Atoms in MFI: A Highly Reactive Site in Nonoxidative Propane Dehydrogenation”, ACS Catalysis, vol. 12, pp. 1775-1783, 2022.

Understanding the Correlation between Ga Speciation and Propane Dehydrogenation Activity on Ga/H-ZSM-5 Catalysts

Y. Yuan, Brady, C., Lobo, R. F., and Xu, B., “Understanding the Correlation between Ga Speciation and Propane Dehydrogenation Activity on Ga/H-ZSM-5 Catalysts”, ACS Catalysis, vol. 11, pp. 10647-10659, 2021.

Zinc Speciation and Propane Dehydrogenation in Zn/H-ZSM-5 Catalysts

Y. Yuan and Lobo, R. F., “Zinc Speciation and Propane Dehydrogenation in Zn/H-ZSM-5 Catalysts”, ACS Catalysis, vol. 13, pp. 4971-4984, 2023.

A New Lagrangian Relaxation Approach for Multistage Stochastic Programs under Endogenous Uncertainties

Z. Zeng and Cremaschi, S., “A New Lagrangian Relaxation Approach for Multistage Stochastic Programs under Endogenous Uncertainties”, in Computer Aided Engineering, Virtual, 2020, vol. 48, pp. 1855-1860.

Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software

X. Zong, Lym, J., and Vlachos, D. G., “Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software”, Computer Physics Communications, vol. 290, p. 108754, 2023.

Reconciling experimental catalytic data stemming from structure sensitivity

X. Zong and Vlachos, D. G., “Reconciling experimental catalytic data stemming from structure sensitivity”, Chemical Science, vol. 14, pp. 4337-4345, 2023.

Exploring Structure-Sensitive Relations for Small Species Adsorption Using Machine Learning

X. Zong and Vlachos, D., “Exploring Structure-Sensitive Relations for Small Species Adsorption Using Machine Learning”, Journal of Chemical Information and Modeling, vol. 62, pp. 4361-4368, 2022.

Computer‐aided process intensification: Challenges, trends and opportunities

A. K. Tula, Eden, M. R., and Gani, R., “Computer‐aided process intensification: Challenges, trends and opportunities”, AIChE Journal, vol. 66, p. e16819, 2019.

Liquid–Liquid Microfluidic Flows for Ultrafast 5-Hydroxymethyl Furfural Extraction

T. - Y. Chen, Desir, P., Bracconi, M., Saha, B., Maestri, M., and Vlachos, D. G., “Liquid–Liquid Microfluidic Flows for Ultrafast 5-Hydroxymethyl Furfural Extraction”, Industrial & Engineering Chemistry Research, vol. 60, pp. 3723-3735, 2021.

A Novel Approach to Modeling Biomass Pyrolysis in a Fluidized Bed Reactor

B. Caudle, Gorensek, M. B., and Chen, C. - C., “A Novel Approach to Modeling Biomass Pyrolysis in a Fluidized Bed Reactor”, ACS Sustainable Chemistry & Engineering, vol. 8, pp. 14605–14615, 2020.

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