Projects per year
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Projects
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Predictive Hierarchical Modeling of Chemical Separations
Siepmann, I., Cramer, C., Gagliardi, L., Truhlar, D. G. & Tsapatsis, M.
9/1/12 → 8/31/21
Project: Research project
Research output
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Adsorption of furan, hexanoic acid, and alkanes in a hierarchical zeolite at reaction conditions: Insights from molecular simulations
Josephson, T. R., Dauenhauer, P. J., Tsapatsis, M. & Siepmann, J. I., Jan 2021, In: Journal of Computational Science. 48, 101267.Research output: Contribution to journal › Article › peer-review
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Effects of Electrolytes on Thermodynamics and Structure of Oligo(ethylene oxide)/Salt Solutions and Liquid-Liquid Equilibria of a Squalane/Tetraethylene Glycol Dimethyl Ether Blend
Shen, Z., Chen, Q. P., Xie, S., Lodge, T. P. & Siepmann, J. I., 2021, (Accepted/In press) In: Macromolecules.Research output: Contribution to journal › Article › peer-review
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Assessing the Quality of Molecular Simulations for Vapor-Liquid Equilibria: An Analysis of the TraPPE Database
Eggimann, B. L., Sun, Y., Dejaco, R. F., Singh, R., Ahsan, M., Josephson, T. R. & Siepmann, J. I., Mar 12 2020, In: Journal of Chemical and Engineering Data. 65, 3, p. 1330-1344 15 p.Research output: Contribution to journal › Article › peer-review
2 Scopus citations -
From Order to Disorder: Computational Design of Triblock Amphiphiles with 1 nm Domains
Shen, Z., Chen, J. L., Vernadskaia, V., Ertem, S. P., Mahanthappa, M. K., Hillmyer, M. A., Reineke, T. M., Lodge, T. P. & Siepmann, J. I., May 20 2020, In: Journal of the American Chemical Society. 142, 20, p. 9352-9362 11 p.Research output: Contribution to journal › Article › peer-review
2 Scopus citations -
Modeling and simulation of gas separations with spiral-wound membranes
DeJaco, R. F., Loprete, K., Pennisi, K., Majumdar, S., Siepmann, J. I., Daoutidis, P., Murnen, H. & Tsapatsis, M., Aug 1 2020, In: AIChE Journal. 66, 8, e16274.Research output: Contribution to journal › Article › peer-review
Datasets
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Supporting Data for "Effects of Electrolytes on Thermodynamics and Structure of Oligo(ethylene oxide)/Salt Solutions and Liquid–Liquid Equilibria of a Squalane/Tetraethylene Glycol Dimethyl Ether Blend"
Shen, Z., Chen, Q. P., Lodge, T. & Siepmann, I., Data Repository for the University of Minnesota, 2021
DOI: 10.13020/gpac-zb41, https://doi.org/10.13020/gpac-zb41
Dataset
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Supporting Data for "From Order to Disorder: Computational Design of Triblock Amphiphiles with 1 nm Domains"
Shen, Z., Chen, J., Vernadskaia, V., Ertem, S. P., Mahanthappa, M., Hillmyer, M. A., Reineke, T. M., Lodge, T. & Siepmann, I., Data Repository for the University of Minnesota, May 11 2020
DOI: 10.13020/7zcr-w347
Dataset
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Supporting Data for "From Order to Disorder: Computational Design of Triblock Amphiphiles with 1 nm Domains"
Shen, Z., Chen, J., Vernadskaia, V., Ertem, S. P., Mahanthappa, M., Hillmyer, M. A., Reineke, T. M., Lodge, T. & Siepmann, I., Data Repository for the University of Minnesota, 2020
DOI: 10.13020/7zcr-w347, http://hdl.handle.net/11299/214077
Dataset