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Computer simulation of CO2 separation in “SIFSIX:” A novel family of metal-organic frameworks (MOFs)

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Abstract

A series of MOFs with coordinately saturated metal centers and periodically arrayed hexafluorosilicate (SiF6 2−) anions (SIFSIX) were constructed. The structural property, isotherm of CO2 adsorption, isosteric heat and selectivity were calculated by molecular simulation. All of simulated results were in good agreement with the experimental ones, which made it possible to predict the adsorption and separation performance of these novel MOFs. Particularly, SIFSIX-2-Cu-i offered high adsorption capacity at relatively low pressure. Most importantly, such MOFs gave a dramatically high CO2 selectivity versus N2 and CH4. Therefore, these MOFs may be relevant to CO2 separation in the context of post-combustion (flue gas, CO2/N2) and natural gas upgrading (natural gas clean-up, CO2/CH4).

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References

  1. Yeh, J.T., Resnik, K. P., Rygle, K., and Pennline, H.W., Fuel Process. Technol., 2005, vol. 86, pp. 1533–1546.

    Article  CAS  Google Scholar 

  2. Aaron, D. and Tsouris, C., Separation. Sci. Teachnol., 2005, vol. 40, pp. 324–348.

    Google Scholar 

  3. Samanta, A., Zhao, A., Shimizu, G., Sarkar, P., and Gupta, R., Ind. Eng. Chem. Res., 2012, vol. 51, no. 4, pp. 1438–1463.

    Article  CAS  Google Scholar 

  4. Yong, Z., Mata, V., and Rodrigues, A.E., Sep.Purif. Techno., 2002, vol. 26, no. 2, pp. 195–205.

    Article  CAS  Google Scholar 

  5. Yang, R.T., Ind. Eng. Chem. Res., 2008, vol. 47, pp. 209–215.

    Article  CAS  Google Scholar 

  6. Sumida, K. et al., Chem. Rev., 2012, vol. 112, no. 2, pp. 724–781.

    Article  CAS  Google Scholar 

  7. Huang, H.L., Zhang, W.J., Liu, D.H., and Zhong, C.L., Ind. Eng. Chem. Res., 2012, vol. 51, no. 30, pp. 10031–10038.

    Article  CAS  Google Scholar 

  8. Burd, S.D. et al., J. Am. Chem. Soc., 2012, vol. 134, pp. 3663–3666.

    Article  CAS  Google Scholar 

  9. Keskin, S., Ind. Eng. Chem. Res., 2011, vol. 50, no. 13, pp. 8230–8236.

    Article  CAS  Google Scholar 

  10. Coe, B.J., et al., Dalton Trans., 2004, vol. 18, pp. 2935–2942.

    Article  Google Scholar 

  11. Nugent, P., et al., Na ture, 2013, vol. 495, pp. 80–84.

    CAS  Google Scholar 

  12. Belof, J.L., Stern, A.C., Eddaoudi, M., and Space, B., J. Am. Chem. Soc., 2007, vol. 129, pp. 15202–15210.

    Article  CAS  Google Scholar 

  13. Stern, A.C., Belof, J.L., Eddaoudi, M., and Space, B., J. Chem. Phys., 2012, vol. 136, p. 034705.

    Article  CAS  Google Scholar 

  14. Forrest, K.A., Pham, T., McLaughlin, K., Belof, J.L., Stern, A.C., Zaworotko, W.J., and Space, B., J. Phys. Chem., C, 2012, vol. 116, no. 29, pp. 15538–15549.

    Article  CAS  Google Scholar 

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Authors and Affiliations

  1. The College of Environmental and Chemical Engineering, Dalian Jiaotong University, Dalian, 116028, China

    L. I. Zheqi

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  1. L. I. Zheqi
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Correspondence to L. I. Zheqi.

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Zheqi, L.I. Computer simulation of CO2 separation in “SIFSIX:” A novel family of metal-organic frameworks (MOFs). Russ J Appl Chem 87, 1511–1516 (2014). https://doi.org/10.1134/S1070427214100188

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  • DOI: https://doi.org/10.1134/S1070427214100188

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