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Fu, Jia, Tian, Yun, Wu, Jianzhong (2015) Classical density functional theory for methane adsorption in metal-organic framework materials. AIChE Journal, 61 (9). 3012-3021 doi:10.1002/aic.14877

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Reference TypeJournal (article/letter/editorial)
TitleClassical density functional theory for methane adsorption in metal-organic framework materials
JournalAIChE Journal
AuthorsFu, JiaAuthor
Tian, YunAuthor
Wu, JianzhongAuthor
Year2015 (September)Volume61
Issue9
PublisherWiley
DOIdoi:10.1002/aic.14877Search in ResearchGate
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Mindat Ref. ID6289863Long-form Identifiermindat:1:5:6289863:8
GUID0
Full ReferenceFu, Jia, Tian, Yun, Wu, Jianzhong (2015) Classical density functional theory for methane adsorption in metal-organic framework materials. AIChE Journal, 61 (9). 3012-3021 doi:10.1002/aic.14877
Plain TextFu, Jia, Tian, Yun, Wu, Jianzhong (2015) Classical density functional theory for methane adsorption in metal-organic framework materials. AIChE Journal, 61 (9). 3012-3021 doi:10.1002/aic.14877
In(2015, September) AIChE Journal Vol. 61 (9) Wiley

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Fu, Jia, Liu, Yu, Tian, Yun, Wu, Jianzhong (2015) Density Functional Methods for Fast Screening of Metal–Organic Frameworks for Hydrogen Storage. The Journal of Physical Chemistry C, 119 (10). 5374-5385 doi:10.1021/jp505963m
Wu, Jianzhong (2006) Density functional theory for chemical engineering: From capillarity to soft materials. AIChE Journal, 52 (3). 1169-1193 doi:10.1002/aic.10713
Tian, Yun, Wu, Jianzhong (2018) A comprehensive analysis of the BET area for nanoporous materials. AIChE Journal, 64 (1). 286-293 doi:10.1002/aic.15880
Hong, Dandan, Liu, Yu, Liu, Honglai, Hu, Ying (2021) Development of dual‐model classical density functional theory and its application to gas adsorption in porous materials. AIChE Journal, 67 (4) doi:10.1002/aic.17120
Zhou, Musen, Wu, Jianzhong (2020) A GPU implementation of classical density functional theory for rapid prediction of gas adsorption in nanoporous materials. The Journal of Chemical Physics, 153 (7) 74101pp. doi:10.1063/5.0020797
Wu, Xuanjun, Cao, Zijian, Lu, Xiuyang, Cai, Weiquan (2023) Prediction of methane adsorption isotherms in metal–organic frameworks by neural network synergistic with classical density functional theory. Chemical Engineering Journal, 459. 141612 doi:10.1016/j.cej.2023.141612
Fu, Jia, Liu, Yu, Wu, Jianzhong (2015) Molecular density functional theory for multiscale modeling of hydration free energy. Chemical Engineering Science, 126. 370-382 doi:10.1016/j.ces.2014.12.006
Lue, Leo (2015) Application of the functional renormalization group method to classical free energy models. AIChE Journal, 61 (9). 2985-2992 doi:10.1002/aic.14868
Dufour‐Décieux, Vincent; Rehner, Philipp; Schilling, Johannes; Moubarak, Elias; Gross, Joachim; Bardow, André (2025) Classical density functional theory as a fast and accurate method for adsorption property prediction of porous materials. AIChE Journal, 71 (6). doi:10.1002/aic.18779
Peng, Xuan, Lin, Li-Chiang, Sun, Weizhen, Smit, Berend (2015) Water adsorption in metal-organic frameworks with open-metal sites. AIChE Journal, 61 (2). 677-687 doi:10.1002/aic.14707
Liu, Yu, Fu, Jia, Wu, Jianzhong (2013) High-Throughput Prediction of the Hydration Free Energies of Small Molecules from a Classical Density Functional Theory. The Journal of Physical Chemistry Letters, 4 (21). 3687-3691 doi:10.1021/jz401787p
 
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