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Frontiers of Chemical Science and Engineering

ISSN 2095-0179

ISSN 2095-0187(Online)

CN 11-5981/TQ

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Front. Chem. Sci. Eng.    2020, Vol. 14 Issue (3) : 425-435    https://doi.org/10.1007/s11705-019-1873-5
RESEARCH ARTICLE
Improved CO2 capture performances of ZIF-90 through sequential reduction and lithiation reactions to form a hard/hard structure
Mahboube Ghahramaninezhad, Fatemeh Mohajer, Mahdi Niknam Shahrak()
Department of Chemical Engineering, Quchan University of Technology, Quchan 94771-67335, Iran
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Abstract

Post-synthetic functionalization or modification has been regarded as a promising strategy to treat surfaces of adsorbents for their applications in targeted adsorption and separation processes. In this work, a novel microporous adsorbent for carbon capturing was developed via functionalization of zeolitic imidazolate framework-91 (ZIF-91) to generate a hard/hard (metal-oxygen) structure named as lithium-modified ZIF-91 (ZIF-91-OLi compound). To this purpose, the ZIF-91 compound as an intermediate product was achieved by reduction of ZIF-90 in the presence of NaBH4 as a good reducing agent. Afterwards, acidic hydrogen atoms in the hydroxyl groups of ZIF-91 were exchanged with lithium cations via reaction of n-BuLi compound as an organo lithium agent through an appropriate procedure. In particular, the as-synthesized ZIF-91-OLi operated as an excellent electron-rich center for CO2 adsorption through trapping the positive carbon centers in the CO2 molecule. DFT calculations revealed that the presence of lithium over the surface of ZIF-91-OLi adsorbent plays an effective role in double enhancement of CO2 storage via creating a strong negative charge center at the oxygen atoms of the imidazolate linker as a result of the lithium/hydrogen exchange system. Finally, the selectivity of CO2/N2 was investigated at different temperatures, revealing the ZIF-91-OLi as a selective adsorbent for industrial application.
Keywords hard/hard structure      acidic hydrogen      ZIF-91      carbon capture      ZIF-91-OLi     
Corresponding Author(s): Mahdi Niknam Shahrak   
Just Accepted Date: 19 November 2019   Online First Date: 03 January 2020    Issue Date: 28 April 2020
 Cite this article:   
Mahboube Ghahramaninezhad,Fatemeh Mohajer,Mahdi Niknam Shahrak. Improved CO2 capture performances of ZIF-90 through sequential reduction and lithiation reactions to form a hard/hard structure[J]. Front. Chem. Sci. Eng., 2020, 14(3): 425-435.
 URL:  
https://academic.hep.com.cn/fcse/EN/10.1007/s11705-019-1873-5
https://academic.hep.com.cn/fcse/EN/Y2020/V14/I3/425
Fig.1  A simplified schematic for linker transformation of ZIF-90 (left) to ZIF-91 (middle) and ZIF-91-OLi (right).
Fig.2  A simplified schematic of the proposed procedure for post-synthetic functionalization of ZIF-91 to synthesize ZIF-91-OLi. 1, Three-necked flask; 2, injection pathway; 3, stirrer on an ice bath; 4, argon or nitrogen cylinder; 5, gas trapping glass.
Fig.3  (a) XRD patterns and (b) FT-IR spectra of the as-synthesized ZIF-90, ZIF-91, and ZIF-91-OLi.
Fig.4  FESEM images of the as-synthesized (a) ZIF-90 and (b) ZIF-91-OLi.
Fig.5  TEM images of the as-synthesized (a) ZIF-90 and (b) ZIF-91-OLi.
Fig.6  Experimental low pressure (a) and high pressure (b) adsorption isotherms of CO2 over ZIF-91-OLi at 298 K and 323 K (filled: adsorption; open: desorption).
Fig.7  Adsorption isotherm of CO2 on the as-synthesized ZIF-91-OLi in comparison with pristine ZIF-90 and ZIF-91 at 298 K (filled: adsorption; open: desorption).
Fig.8  Proposed mechanism for CO2 adsorption over the ZF-91-OLi through attacking the negative charge center of hard/hard system to the positive center of carbon dioxide.
Fig.9  (a) Experimental adsorption isotherms of CO2 and N2 over the as-synthesized ZIF-91-OLi at 298 K and 323 K (filled: adsorption; open: desorption) and (b) calculated selectivity of CO2/N2 at corresponding temperatures.
Fig.10  Isosteric heat of adsorption for CO2 over the ZIF-91-OLi calculated from experimental adsorption data.
Adsorbent Pressure/
bar		 CO2 uptake/
(mmol·g−1)		 Selectivity
(CO2/N2)		 Heat of adsorption/
(kJ·mol−1)		 Ref.
ZIF-91-OLi 10 / 1 10.13 / 2.20 13.50 23.50 Present work
ZIF-90 10 / 1 7.32 / 1.45 17 23.01 [38]
Mg-MOF-74 1 6.25 44 – [32]
ZIF-8@{Mo132}@Li 1 6.00 – 28.50 [17]
Co-MOF-74 1 5.65 – – [32]
ZIF-90 10 / 1 5.61 / 1.12 – – Present work
Ni-MOF-74 1 5.43 30 42 [32]
Zn-MOF-74 1 4.5 – – [32]
HKUST-1 1 4.5 101 30 [32]
ZIF-91 10 / 1 2.95 / 0.54 – – Present work
MOF-505 1 2.86 – – [32]
ZIF-69 1 2.85 – 29.04 [41]
ZIF-68 1 2.75 – 23.32 [41]
NH2-MIL-53(Al) 1 2.72 – 38–50 [32]
PCN-80 1 2.72 – – [32]
NOTT-140 1 2.65 – 25 [32]
MIL-53(AL) 1 2.40 19 35 [32]
ZIF-76 1 2.20 – 25.1 [42]
Co-MOF-74 1 2.06 – 37 [32]
ZIF-78 1 2.06 30 – [32]
ZIF-82 1 2 – – [32]
ZIF-96 1 1.93 – – [32]
MOF-5 1 1.93 – 34 [32]
MIL-53(Cr) 1 1.84 – 32 [32]
MIL-47 1 1.66 – – [32]
IRMOF-11 1 1.55 – – [32]
MOF-177 1 1.52 4 – [32]
ZIF-93 1 1.52 – – [32]
ZIF-68 1 1.41 – – [32]
MOF-253 1 1.41 – 23 [32]
ZIF-79 1 1.29 – – [32]
ZIF-70 1 1.20 – – [32]
F-MOF-4 1 1.16 – – [32]
IRMOF-3 1 1.04 – 19 [32]
IRMOF-6 1 1.02 – – [32]
ZIF-97 1 0.98 – – [32]
ZIF-8 5 / 1 2.27 / 0.97 4.98 27 [38,17]
MIL-101(Cr) 1 0.86 – 44 [32]
ZIF-100 1 1.00 22–25 – [43,32]
ZIF-95 1 0.90 18 – [43]
MAF-2 1 0.64 – 27 [32]
ZIF-71 1 0.61 – – [32]
Mg-MOF-1 1 0.54 – – [32]
MOF-2 1 5.66 – – [32]
Tab.1  CO2 uptake and separation selectivity for ZIF-91-OLi in comparison with other MOF materials at 298 K.
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