| AIChE

Where chemical engineers mix it up.

A novel semi-batch autoclave reactor to overcome thermal dwell time in solvent liquefaction experiments

J. K. Lindstrom, Brown, J. L., Peterson, C. A., Ghosh, A., Rollag, S. A., Kouris, P. D., Boot, M. D., Hensen, E. J. M., Gable, P., Smith, R. G., and Brown, R. C., “A novel semi-batch autoclave reactor to overcome thermal dwell time in solvent liquefaction experiments”, Chemical Engineering Journal, vol. 417, p. 128074, 2021.

Novel Tool for Selecting Surrogate Modeling Techniques for Surface Approximation

B. Williams and Cremaschi, S., “Novel Tool for Selecting Surrogate Modeling Techniques for Surface Approximation”, 31 European Symposium on Computer Aided Process Engineering, vol. 50, pp. 451-456, 2021.

Operability and control in process intensification and modular design: Challenges and opportunities

E. N. Pistikopoulos, Tian, Y., and Bindlish, R., “Operability and control in process intensification and modular design: Challenges and opportunities”, AIChE Journal, vol. 67, p. e17204, 2021.

A process intensification synthesis framework for the design of extractive separation systems with material selection

Y. Tian and Pistikopoulos, E. N., “A process intensification synthesis framework for the design of extractive separation systems with material selection”, Journal of Advanced Manufacturing and Processing, vol. 3, 2021.

Prediction of the Thermal Runaway Limit and Optimal Operation of Heat Transfer-Limited, Fixed-Bed Reactor Systems

C. Ekici, Kipp, D., Ho, C. R., Biegler, L. T., and Witt, P. M., “Prediction of the Thermal Runaway Limit and Optimal Operation of Heat Transfer-Limited, Fixed-Bed Reactor Systems”, Industrial & Engineering Chemistry Research, vol. 60, pp. 15087-15094, 2021.

Regularized Machine Learning on Molecular Graph Model Explains Systematic Error in DFT Enthalpies

H. Bhattacharjee, Anesiadis, N., and Vlachos, D. G., “Regularized Machine Learning on Molecular Graph Model Explains Systematic Error in DFT Enthalpies”, Scientific Reports 2021 11:1, vol. 11, pp. 1-10, 2021.

Process Systems Engineering Perspective on the Design of Materials and Molecules

C. S. Adjiman, Sahinidis, N. V., Vlachos, D. G., Bakshi, B., Maravelias, C. T., and Georgakis, C., “Process Systems Engineering Perspective on the Design of Materials and Molecules”, Industrial & Engineering Chemistry Research, vol. 60, pp. 5194-5206, 2021.

Real-time dynamics and structures of supported subnanometer catalysts via multiscale simulations

Y. Wang, Kalscheur, J., Su, Y. - Q., Hensen, E. J. M., and Vlachos, D. G., “Real-time dynamics and structures of supported subnanometer catalysts via multiscale simulations”, Nature Communications, vol. 12, 2021.

Modeling Phase Equilibrium of Common Sugars Glucose, Fructose, and Sucrose in Mixed Solvents

B. Caudle, Vieira, M. C., Gorensek, M. B., and Chen, C. - C., “Modeling Phase Equilibrium of Common Sugars Glucose, Fructose, and Sucrose in Mixed Solvents”, Journal of Chemical & Engineering Data, vol. 66, pp. 4193-4205, 2021.

Modeling fluid phase equilibria of carbon dioxide-methanol binary system

C. Hsiu Yu, Lin, Y. Jeng, Wong, D. Shan Hill, Bruno, J. Carles, and Chen, C. - C., “Modeling fluid phase equilibria of carbon dioxide-methanol binary system”, Fluid Phase Equilibria, vol. 529, p. 112866, 2021.

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