Tailoring zirconium-based metal organic frameworks for enhancing hydrophilic/hydrophobic characteristics: simulation and experimental investigation by Han, Bo, Chakraborty, Anutosh

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Adsorption mechanism of CO2/CH4/N2 by the synergistic effect of N/S-doped and functional groups in coal at different temperatures and pressures by Jinzhang Jia, Hailong Song, Peng Jia, Bin Li

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Ethane-CO₂ Mixture Adsorption in Silicalite: Influence of Tortuosity and Connectivity of Pores on Selectivity by Siddharth Gautam, David Cole

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Effects of Pore Connectivity on the Sorption of Fluids in Nanoporous Material: Ethane and CO₂ Sorption in Silicalite by Siddharth Gautam, David R. Cole

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Anomaly in the Chain Length Dependence of n-Alkane Diffusion in ZIF-4 Metal-Organic Frameworks by Seungtaik Hwang, Arun Gopalan, Maximilian Hovestadt, Frank Piepenbreier, Christian Chmelik, Martin Hartmann, Randall Q. Snurr, Jörg Kärger

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Molecular Simulation of the Adsorption Characteristics of Methane in Pores of Coal with Different Metamorphic Degrees by Qing Han, Cunbao Deng, Zhixin Jin, Tao Gao

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Geochemical Properties and Gas-Bearing Analysis of Lower Cambrian Black Shale in Western Hunan Province by Kaixun Zhang, Xiaoyin Tang, Xiaoqiang Liu, Zisheng Zhao, Meijun Li

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Enhanced alcohol and H2O adsorption and separation performances by introducing pyridyl ligand in a MOF by Chenxu Zhang, Mingming Zhai, Kangning Xie, Yingchao Wang, Xiuyuan Li, Juan Liu, Yuanzhe Li, Yanfei Hu, Erping Luo, Chi Tang

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Computational Screening of Metal-Organic Frameworks for Ethylene Purification from Ethane/Ethylene/Acetylene Mixture by Yageng Zhou, Xiang Zhang, Teng Zhou, Kai Sundmacher

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Zeolite-templated carbons as effective sorbents to remove methylsiloxanes and derivatives: A computational screening by Shiru Lin, Kaitlyn A. Jacoby, Jinxing Gu, Dariana R. Vega-Santander, Arturo J. Hernández-Maldonado, Zhongfang Chen

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Structural Characteristics, Electronic Properties, and Coupling Behavior of 12-4-12, 12-3-12, 12-2-12 Cationic Surfactants: A First-Principles Computational Investigation and Exper... by Shiru Lin, Daisy Woodring, Richard D. Sheardy, Nasrin Mirsaleh-Kohan

Subjects: “…Grand Canonical Monte Carlo (GCMC) simulations…”
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High-Throughput Computational Screening of Two-Dimensional Covalent Organic Frameworks (2D COFs) for Capturing Radon in Moist Air by Hongyan Zeng, Xiaomin Geng, Shitong Zhang, Bo Zhou, Shengtang Liu, Zaixing Yang

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