Formaldehyde Adsorption Performance of Selected Metal-Organic Frameworks from High-throughput Computational Screening
- Corresponding author: Li Song, songli@hust.edu.cn
Citation: Bian Lei, Li Wei, Wei Zhenzhen, Liu Xiaowei, Li Song. Formaldehyde Adsorption Performance of Selected Metal-Organic Frameworks from High-throughput Computational Screening[J]. Acta Chimica Sinica, ;2018, 76(4): 303-310. doi: 10.6023/A18010026
Zhou, K. W.; Zhou, Y.; Sun, Y.; Tian, X. J. Acta Chim. Sinica 2008, 66, 943.
doi: 10.3321/j.issn:0567-7351.2008.08.018
Chen, Y.; Qi, F. M.; Yang, C.; Ye, W. C.; Wang, C. M. Acta Chim. Sinica 2009, 67, 671.
doi: 10.3321/j.issn:0567-7351.2009.07.015
Liu, Y. H.; Yu, Q.; Li, C.; Lin, X.; Zhang, X. Q.; Yu, L.; Wu, L. F. Guangdong Chem. Ind. 2011, 38, 128.
Ruhl, M. J. Chem. Eng. Prog. 1993, 89, 37.
Wang, Z.; Wang, W. Z.; Jiang, D.; Zhang, L.; Zheng, Y. Dalton Trans. 2016, 45, 11306.
doi: 10.1039/C6DT01696K
Zhong, C. L. Structure-Property Relationship and Design of Metal-Organic Frameworks, Science Press, Beijing, 2013.
Farha, O. K.; Hupp, J. T.; Wilmer, C. E.; Eryazici, I.; Snurr, R. Q.; Gomez-Gualdron, D. A.; Borah, B. J. Am. Chem. Soc. 2014, 36, 15016.
Pei, X. K.; Chen, Y. F.; Li, S. Q.; Zhang, S. H.; Feng, X.; Zhou, J. W.; Wang, B. Sci. China-Chem. 2016, 34, 157.
doi: 10.1002/cjoc.v34.2
Li, J. R.; Kuppler, R. J.; Zhou, H. C. Chem. Soc. Rev. 2009, 40, 1477.
Zhang, H.; Li, G. L.; Zhang, K. G.; Liao, C. Y. Acta Chim. Sinica 2017, 75, 841.
Huang, G.; Chen, Y. Z.; Jiang, H. L. Acta Chim. Sinica 2016, 74, 113.
doi: 10.3969/j.issn.0253-2409.2016.01.016
Li, L.; Cao, X. Y.; Huang, R. D. Chin. J. Chem. 2015, 34, 143.
Li, X. X.; Shu, L.; Chen, S. Acta Chim. Sinica 2016, 74, 969.
doi: 10.3866/PKU.WHXB201601061
Yaghi, O. M.; Li, G.; Li, H. Nature 1995, 378, 703.
doi: 10.1038/378703a0
Furukawa, H.; Müller, U.; Yaghi, O. M. Angew. Chem. 2015, 54, 3417.
doi: 10.1002/anie.201410252
Gu, Z. Y.; Wang, G.; Yan, X. P. Anal. Chem. 2010, 82, 1365.
doi: 10.1021/ac902450f
Li, C. M.; Huang, J. P.; Zhu, H. L.; Liu, L. L.; Feng, Y. M.; Hu, G.; Yu, X. B. Sensor. Actuat. B-Chem. 2017, 253, 275.
doi: 10.1016/j.snb.2017.06.064
Zhou, W.; Wu, Y. P.; Zhao, J.; Dong, W. W.; Qiao, X. Q.; Hou, D. F.; Bu, X. H.; Li, D. S. Inorg. Chem. 2017, 56, 14111.
doi: 10.1021/acs.inorgchem.7b02254
Zhao, Z. Y.; Hao, J. Y.; Song, X. D.; Ren, S. Z.; Hao, C. RSC Adv. 2015, 5, 49752.
doi: 10.1039/C5RA07373A
Yu, Y.; Zhang, X. M.; Ma, J. P.; Liu, Q. K.; Wang, P.; Dong, Y. B. Chem. Commun. 2014, 50, 1444.
doi: 10.1039/C3CC47723A
Moradpour, T.; Abbasi, A.; Hecke, K. V. J. Solid State Chem. 2015, 228, 36.
doi: 10.1016/j.jssc.2015.04.013
Bellat, J. P.; Bezverkhyy, I.; Weber, G.; Royer, S.; Averlant, R.; Giraudon, J. M.; Lamonier, J. F. J. Hazard. Mater. 2015, 300, 711.
doi: 10.1016/j.jhazmat.2015.07.078
Li, J. Y.; Min, J. Mater. Rev. 2009, 23, 460.
doi: 10.3321/j.issn:1005-023X.2009.z2.136
Yao, Y. H.; Song, X. D.; Qiu, J. S.; Hao, C. J. Phys. Chem. A 2014, 118, 6191.
doi: 10.1021/jp503722m
Wilmer, C. E.; Leaf, M.; Chang, Y. L.; Farha, O. K.; Hauser, B. G.; Hupp, J. T.; Snurr, R. Q. Nat. Chem. 2012, 4, 83.
doi: 10.1038/nchem.1192
Watanabe, T.; Sholl, D. S. Langmuir 2012, 28, 14114.
doi: 10.1021/la301915s
Sun, W. Z.; Lin, L. C.; Peng, X.; Smit, B. AIChE J. 2014, 60, 2314.
doi: 10.1002/aic.14467
Colón, Y. J.; Fairen-Jimenez, D.; Wilmer, C. E.; Snurr, R. Q. J. Phys. Chem. C 2014, 118, 5383.
doi: 10.1021/jp4122326
Goldsmith, J.; Wong-Foy, A. G.; Cafarella, M. J.; Siegel, D. J. Chem. Mater. 2013, 25, 3373.
doi: 10.1021/cm401978e
Getman, R. B.; Bae, Y. S.; Wilmer, C. E.; Snurr, R. Q. Chem. Rev. 2012, 112, 703.
doi: 10.1021/cr200217c
Sikora, B. J.; Wilmer, C. E.; Greenfield, M. L.; Snurr, R. Q. Chem. Sci. 2012, 3, 2217.
doi: 10.1039/c2sc01097f
Heest, T. V.; Teichmcgoldrick, S. L.; Greathouse, J. A.; Allendorf, M. D.; Sholl, D. S. J. Phys. Chem. C 2012, 116, 13183.
Lin, L. C.; Berger, A. H.; Martin, R. L.; Kim, J. H.; Swisher, J. A.; Jariwala, K.; Rycroft, C. H.; Bhown, A. S.; Deem, M. W.; Haranczyk, M.; Smit, B. Nat. Mater. 2012, 11, 633.
doi: 10.1038/nmat3336
Haldoupis, E.; Nair, S.; Sholl, D. S. J. Am. Chem. Soc. 2010, 132, 7528.
doi: 10.1021/ja1023699
First, E. L.; Gounaris, C. E.; Floudas, C. A. Langmuir 2013, 29, 5599.
doi: 10.1021/la400547a
Qiao, Z. W.; Xu, Q. S.; Cheetham, A. K.; Jiang, J. W. J. Phys. Chem. C 2017, 121, 22208.
doi: 10.1021/acs.jpcc.7b07758
Li, W.; Rao, Z. Z.; Chung, Y. G.; Li, S. ChemistrySelect 2017, 2, 9458.
doi: 10.1002/slct.201701934
Li, S.; Chung, Y. G.; Snurr, R. Q. Langmuir 2016, 32, 10368.
doi: 10.1021/acs.langmuir.6b02803
Mcdaniel, J. G.; Li, S.; Tylianakis, E.; Snurr, R. Q.; Schmidt, J. R. J. Phys. Chem. C 2015, 119, 3143.
doi: 10.1021/jp511674w
Li, S.; Chung, Y. G.; Simon, C. M.; Snurr, R. Q. J. Phys. Chem. Lett. 2017, 8, 6135.
doi: 10.1021/acs.jpclett.7b02700
Chung, Y. G.; Camp, J.; Haranczyk, M.; Sikora, B. J.; Bury, W.; Krungleviciute, V.; Yildirim, T.; Farha, O. K.; Sholl, D. S.; Snurr, R. Q. Chem. Mater. 2014, 26, 6185.
doi: 10.1021/cm502594j
Banerjee, D.; Simon, C. M.; Plonka, A. M.; Motkuri, R. K.; Liu, J.; Chen, X. Y.; Smit, B.; Parise, J. B.; Haranczyk, M.; Thallapally, P. K. Nat. Commun. 2016, 7, 11831.
doi: 10.1038/ncomms11831
Howarth, A. J.; Peters, A. W.; Vermeulen, N. A.; Wang, T. C.; Hupp, J. T.; Farha, O. K. Chem. Mater. 2017, 29, 1.
doi: 10.1021/acs.chemmater.6b05235
Liu, X.; Wang, J. Y.; Li, Q. Y.; Jiang, S.; Zhang, T. H.; Ji, S. F. J. Rare-Earths 2014, 32, 189.
doi: 10.1016/S1002-0721(14)60050-8
Katsoulidis, A. P.; Park, K. S.; Antypov, D.; Martígastaldo, C.; Miller, G. J.; Warren, J. E.; Robertson, C. M.; Blanc, F.; Darling, G. R.; Berry, N. G.; Purton, J. A.; Adams, D. J. Angew. Chem. Int. Ed. 2014, 126, 197.
doi: 10.1002/ange.v126.1
Wang, Q. M.; Shen, D. M.; Bülow, M.; Lau, M. L.; Deng, S. G.; Fitch, F. R.; Lemcoff, N. O.; Semanscin, J. Micropor. Mesopor. Mater. 2002, 55, 217.
doi: 10.1016/S1387-1811(02)00405-5
Xia, Q. B.; Miao, J. P.; Sun, X. J.; Zhou, X.; Li, Z.; Xi, H. X. J. South China Univ. Tech. Nat. Sci. Ed. 2013, 12, 24.
Huo, S. H. Ph. D. Dissertation, Nankai University, Tianjin, 2012.
Ke, F. Ph. D. Dissertation, University of Science and Technology of China, Hefei, 2014.
Manz, T. A.; Limas, N. G. RSC Adv. 2016, 6, 47771.
doi: 10.1039/C6RA04656H
Willems, T. F.; Rycroft, C. H.; Kazi, M.; Meza, J. C.; Haranczyk, M. Micropor. Mesopor. Mater. 2012, 149, 134.
doi: 10.1016/j.micromeso.2011.08.020
Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024.
doi: 10.1021/ja00051a040
Potoff, J. J.; Siepmann, J. I. AIChE J. 2001, 47, 1676.
doi: 10.1002/(ISSN)1547-5905
Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. J. Chem. Phys. 1995, 103, 8577.
doi: 10.1063/1.470117
Hantal, G.; Jedlovszky, P.; Hoang, P. N. M.; Picaud, S. J. Phys. Chem. C 2007, 111, 14170.
doi: 10.1021/jp0742564
Dubbeldam, D.; Calero, S.; Ellis, D. E.; Snurr, R. Q. Mol. Simulat. 2015, 42, 81.
Wu, L.; Xue, M.; Huang, L.; Qiu, S. L. Sci. China-Chem. 2011, 54, 1441.
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(a) The correlation between formaldehyde working capacity and the largest cavity diameter (LCD) of MOFs, colored by the heat of adsorption; (b) The relationship between LCD and selectivity, colored by the heat of adsorption. The working capacity and selectivity were calculated at the total pressure of 1 bar and 25 ℃
(1) Nitrogen gas cylinder; (2) Gas flowmeter; (3) Quartz beads and 1, 3, 5-Trioxane; (4) U-tube; (5) Oil bath; (6) Valve; (7) Fan; (8) Sealed box; (9) Lifter; (10) Adsorbent; (11) Lifter controller; (12) Exhaust gas absorption device