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Where chemical engineers mix it up.

Python Group Additivity (pGrAdd) software for estimating species thermochemical properties

G. R. Wittreich and Vlachos, D. G., “Python Group Additivity (pGrAdd) software for estimating species thermochemical properties”, Computer Physics Communications, vol. 273, p. 108277, 2022.

Optimization-based modeling and economic comparison of membrane distillation configurations for application in shale gas produced water treatment

E. Mohammadi Shamlou, Vidic, R., and Khanna, V., “Optimization-based modeling and economic comparison of membrane distillation configurations for application in shale gas produced water treatment”, Desalination, vol. 526, p. 115513, 2022.

Higher loadings of Pt single atoms and clusters over reducible metal oxides: application to C–O bond activation

Y. Wang, Lee, S., Zhou, J., Fu, J., Foucher, A., Stach, E., Ma, L., Marinkovic, N., Ehrlich, S., Zheng, W., and Vlachos, D. G., “Higher loadings of Pt single atoms and clusters over reducible metal oxides: application to C–O bond activation”, Catalysis Science & Technology, vol. 12, pp. 2920-2928, 2022.

Catalytic resonance of ammonia synthesis by simulated dynamic ruthenium crystal strain

G. R. Wittreich, Liu, S., Dauenhauer, P. J., and Vlachos, D. G., “Catalytic resonance of ammonia synthesis by simulated dynamic ruthenium crystal strain”, Science Advances, vol. 8, p. eabl6576, 2022.

Comprehensive Assessment of the Accuracy of the Ideal Adsorbed Solution Theory for Predicting Binary Adsorption of Gas Mixtures in Porous Materials

F. Gharagheizi and Sholl, D. S., “Comprehensive Assessment of the Accuracy of the Ideal Adsorbed Solution Theory for Predicting Binary Adsorption of Gas Mixtures in Porous Materials”, Industrial & Engineering Chemistry Research, vol. 61, pp. 727-739, 2022.

Estimating CO2 Solubility in Aqueous Na+–K+–Mg2+–Ca2+–Cl––SO42– Solutions with Electrolyte NRTL–PC-SAFT Model

H. Kaur, Abedi, S., and Chen, C. - C., “Estimating CO2 Solubility in Aqueous Na+–K+–Mg2+–Ca2+–Cl––SO42– Solutions with Electrolyte NRTL–PC-SAFT Model”, Journal of Chemical & Engineering Data, vol. 67, pp. 1932-1950, 2022.

Heat transfer enhancement in fin channels using aeroelastically fluttering reeds

S. Jha, Glezer, A., Realff, M. J., Blaine, M. E., Mai, J., and Pearlstein, A. J., “Heat transfer enhancement in fin channels using aeroelastically fluttering reeds”, Journal of Advanced Manufacturing and Processing, vol. 4, p. e10110, 2022.

Matching Analysis of Mixed Matrix Membranes for Organic Solvent Reverse Osmosis

C. J. Roos, Weber, D. J., Jang, H. Youn, and Lively, R. P., “Matching Analysis of Mixed Matrix Membranes for Organic Solvent Reverse Osmosis”, Industrial & Engineering Chemistry Research, vol. 61, pp. 3395-3411, 2022.

Microwave Heating-Induced Temperature Gradients in Liquid–Liquid Biphasic Systems

T. - Y. Chen, Baker-Fales, M., Goyal, H., and Vlachos, D. G., “Microwave Heating-Induced Temperature Gradients in Liquid–Liquid Biphasic Systems”, Industrial & Engineering Chemistry Research, vol. 61, pp. 3011-3022, 2022.

Intensified reactive extraction for the acid-catalyzed conversion of fructose to 5-hydroxymethyl furfural

P. Desir and Vlachos, D. G., “Intensified reactive extraction for the acid-catalyzed conversion of fructose to 5-hydroxymethyl furfural”, Chemical Engineering Journal, vol. 428, p. 132556, 2022.

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