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Where chemical engineers mix it up.

Ab Initio Molecular Dynamics Spectra for Characterization of Hydrated Al2O3-Supported MoOx

A. Worrad and Vlachos, D. G., “Ab Initio Molecular Dynamics Spectra for Characterization of Hydrated Al2O3-Supported MoOx”, Journal of Physical Chemistry C, vol. 127, pp. 21635-21643, 2023.

Dynamic Formation of Brønsted Acid Sites over Supported WOx/Pt on SiO2 Inverse Catalysts-Spectroscopy, Probe Chemistry, and Calculations

Y. Wu, Sourav, S., Worrad, A., Zhou, J., Caratzoulas, S., Tsilomelekis, G., Zheng, W., and Vlachos, D. G., “Dynamic Formation of Brønsted Acid Sites over Supported WOx/Pt on SiO2 Inverse Catalysts-Spectroscopy, Probe Chemistry, and Calculations”, ACS Catalysis, vol. 13, pp. 7371-7382, 2023.

Microkinetic modeling from first principles for reaction pathway and selectivity analysis for ethylene oxidation on Ag(111) surface

S. Wu, Tatarchuk, B. J., and Adamczyk, A. J., “Microkinetic modeling from first principles for reaction pathway and selectivity analysis for ethylene oxidation on Ag(111) surface”, ACS Industrial Chemistry and Engineering Research.

An integrated framework for sustainable process design by hybrid and intensified equipment

S. Xu, Cremaschi, S., Eden, M. R., and Tula, A. K., “An integrated framework for sustainable process design by hybrid and intensified equipment”, Computers & Chemical Engineering, vol. 176, p. 108288, 2023.

Simultaneous selection and optimization of reaction pathways and downstream separation network

S. Xu, Cremaschi, S., Eden, M. R., and Tula, A. K., “Simultaneous selection and optimization of reaction pathways and downstream separation network”, in Computer Aided Chemical Engineering, 2023, vol. 52, pp. 475-480.

Dynamic Process Intensification via Data-Driven Dynamic Optimization: Concept and Application to Ternary Distillation

L. Yan, Deneke, T. L., Heljanko, K., Harjunkoski, I., Edgar, T. E., and Baldea, M., “Dynamic Process Intensification via Data-Driven Dynamic Optimization: Concept and Application to Ternary Distillation”, Industrial & Engineering Chemistry Research, vol. 60, pp. 1265-10275, 2021.

High-Temperature Pretreatment Effect on Co/SiO2 Active Sites and Ethane Dehydrogenation

K. Yu, Srinivas, S., Wang, C., Chen, W., Ma, L., Ehrlich, S. N., Marinkovic, N., Kumar, P., Stach, E. A., Caratzoulas, S., Zheng, W., and Vlachos, D. G., “High-Temperature Pretreatment Effect on Co/SiO2 Active Sites and Ethane Dehydrogenation”, ACS Catalysis, vol. 12, pp. 11749-11760, 2022.

Mobile ion partitioning in ion exchange membranes immersed in saline solutions

Y. Yu, Yan, N., Freeman, B. D., and Chen, C. - C., “Mobile ion partitioning in ion exchange membranes immersed in saline solutions”, Journal of Membrane Science, vol. 620, p. 118760, 2021.

Site Diversity and Mechanism of Metal-Exchanged Zeolite Catalyzed Non-Oxidative Propane Dehydrogenation

Y. Yuan, Zhao, Z., Lobo, R. F., and Xu, B. J., “Site Diversity and Mechanism of Metal-Exchanged Zeolite Catalyzed Non-Oxidative Propane Dehydrogenation”, Advanced Science, vol. 10, p. 2207756, 2023.

Ga+-Chabazite Zeolite: A Highly Selective Catalyst for Nonoxidative Propane Dehydrogenation

Y. Yuan, Lee, J. S., and Lobo, R. F., “Ga+-Chabazite Zeolite: A Highly Selective Catalyst for Nonoxidative Propane Dehydrogenation”, Journal of the American Chemical Society, vol. 144, pp. 15079-15092, 2022.

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