Research Articles 

199 [199] N. Mittal, P. Bai, J.I. Siepmann, P. Daoutidis, and M. Tsapatsis, "Bioethanol Enrichment Using Zeolite Membranes: Molecular Modeling, Conceptual Process Design and Techno-Economic Analysis," J. Membrane Sci. (2017). DOI: 10.1016/j.memsci.2017.06.075
198 [198] S.E.E. Warrag, N.R. Rodriguez, I.M.Nashef, M. van Sint Annaland, J.I. Siepmann, M.C. Kroon, and C.J. Peters, "Separation of Thiophene from Aliphatic Hydrocarbons Using Tetrahexylammonium-Based Deep Eutectic Solvents as Extracting Agents," J. Chem. Eng. Data 62, 2911-2919 (2017). DOI: 10.1021/acs.jced.7b00168
197 [197] A. Farzaneh, R.F. DeJaco, L. Ohlin, A. Holmgren, J.I. Siepmann, and M. Grahn, "Comparative Study of the Effect of Defects on Selective Adsorption of Butanol from Butanol/Water Binary Vapor Mixtures in Silicalite-1 Films," Langmuir 33, 8420-8427 (2017). DOI: 10.1021/acs.langmuir.7b02097
196 [196] Y.G. Chung, P. Bai, M. Haranczyk, K.T. Leperti, P. Li, H. Zhang, T.C. Want, T. Duerinck, F. You, J.T. Hupp, O.K. Farha, J.I. Siepmann, and R.Q. Snurr, "Computational Screening of Nanoporous Materials for Hexane and Heptane Isomer Separation," Chem. Mater. 29, 6315-6328 (2017). DOI: 10.1021/acs.chemmater.7b01565
195 [195] R. Tiriolo, N. Rangnekar, H. Zhang, M. Shete, P. Bai, J. Nelson, E. Karapetrova, C.W. Macosko, J.I. Siepmann, E. Lamanna, A. Lavano, and M. Tsapatsis, "Sub-Micrometer Zeolite Films on Gold-Coated Silicon Wafers with Single-Crystal-Like Dielectric Constant and Elastic Modulus," Adv. Funct. Mater. 27 (2017). DOI: 10.1002/adfm.201700864  
194 [194] M.Y. Jeon, D. Kim, P. Kumar, P.S. Lee, N. Rangenekar, P. Bai, M. Shete, B. Elyassi, H.S. Lee, K. Narasimharao, S.N. Basahel, S. Al-Thabaiti, W. Xu, H.J. Cho, E.O. Fetisov, R. Thyagarajan, R.F. DeJaco, W. Fan, K.A. Mkhoyan, J.I. Siepmann, and M. Tsapatsis, "Ultra-Selective High-Flux Membranes from Directly Synthesized Zeolite Nanosheets," Nature 543, 690-694 (2017). DOI: 10.1038/nature21421
k-d tree

[193] Q.P. Chen, B. Xue, and J.I. Siepmann, "Using the k-d Tree Data Structure to Accelerate Monte Carlo Simulations" J. Chem. Theor. Comp. 13, 1556-1565 (2017). DOI: 10.1021/acs.jctc.6b01222

Assessment and Optimization

[192] P. Bai and J.I. Siepmann, "Assessment and Optimization of Configurational-bias Monte Carlo Particle Swap Strategies for Simulations of Water in the Gibbs Ensemble" J. Chem. Theor. Comp. 13, 431-440 (2017). DOI: 10.1021/acs.jctc.6b00973


Reviews and Conference Proceedings

r27Assessment and Optimization [R27] M.S. Shah, M. Tsapatsis, and J.I. Siepmann, "Hydrogen Sulfide Capture: From Absorption in Polar Liquids to Oxide, Zeolite, and Metal–Organic Framework Adsorbents and Membranes," Chem. Rev. 117 9755-9803 (2017). DOI: 10.1021/acs.chemrev.7b00095

[R26] H. Nguyen, R.F. DeJaco, N. Mittal, J.I. Siepmann, M. Tsapatsis, M.A. Snyder, W. Fan, B. Saha, and D.G. Vlachos, "A Review of Biorefinery Separations for Bioproduct Production via Thermocatalytic Processing," Annu. Rev. Chem. Biomol. 8, 115-137 (2017). DOI: 10.1146/annurev-chembioeng-060816-101303