TY - JOUR
T1 - Application of hybrid MOF composite in extraction of f-block elements
T2 - Experimental and computational investigation
AU - Salunkhe, Gauri
AU - Sengupta, Arijit
AU - Boda, Anil
AU - Paz, Roxana
AU - Gupta, Nishesh Kumar
AU - Leyva, Carolina
AU - Chauhan, Rohit Singh
AU - Ali, Sk Musharaf
N1 - Publisher Copyright:
© 2021 Elsevier Ltd
PY - 2022/1
Y1 - 2022/1
N2 - An attempt was made to understand the sorption behaviour of UO22+, Th4+ and Eu3+ on novel hybrid metal-organic framework composites, FeBDC@CoBDC. The XRD pattern revealed the composite nature of the hybrid MOF materials, while FTIR and Raman spectroscopic analyses evidenced the presence of different functional moieties. The thermal stability of the hybrid MOF composites was investigated through thermogravimetric analysis. The sorption predominantly followed Langmuir isotherm with sorption capacity of 189 mg g−1, 224 mg g−1 and 205 mg g−1 for UO22+, Th4+ and Eu3+ respectively. The sorption proceeded through chemisorption following pseudo 2nd order rate kinetics. The processes were found to be thermodynamically favourable and endothermic in nature. However, they were entropically driven. Multiple contacts of complexing agents were necessary for quantitative elution of f-elements from loaded MOF. The MOF showed moderate stability towards radiation exposure. DFT calculation was used for the optimization of structures, estimation of bond length and estimation of binding energy. In hybrid MOF composites, the Fe atom was having six coordination with 4 O atoms of BDC moieties and 2 O atoms of –OH groups. The O atoms of BDC and –OH groups were coordinated to Eu, Th and U atoms during their sorption.
AB - An attempt was made to understand the sorption behaviour of UO22+, Th4+ and Eu3+ on novel hybrid metal-organic framework composites, FeBDC@CoBDC. The XRD pattern revealed the composite nature of the hybrid MOF materials, while FTIR and Raman spectroscopic analyses evidenced the presence of different functional moieties. The thermal stability of the hybrid MOF composites was investigated through thermogravimetric analysis. The sorption predominantly followed Langmuir isotherm with sorption capacity of 189 mg g−1, 224 mg g−1 and 205 mg g−1 for UO22+, Th4+ and Eu3+ respectively. The sorption proceeded through chemisorption following pseudo 2nd order rate kinetics. The processes were found to be thermodynamically favourable and endothermic in nature. However, they were entropically driven. Multiple contacts of complexing agents were necessary for quantitative elution of f-elements from loaded MOF. The MOF showed moderate stability towards radiation exposure. DFT calculation was used for the optimization of structures, estimation of bond length and estimation of binding energy. In hybrid MOF composites, the Fe atom was having six coordination with 4 O atoms of BDC moieties and 2 O atoms of –OH groups. The O atoms of BDC and –OH groups were coordinated to Eu, Th and U atoms during their sorption.
KW - Isotherm
KW - Kinetics
KW - Metal-organic framework
KW - Thermodynamics
KW - f-block elements
UR - http://www.scopus.com/inward/record.url?scp=85115745551&partnerID=8YFLogxK
U2 - 10.1016/j.chemosphere.2021.132232
DO - 10.1016/j.chemosphere.2021.132232
M3 - Artículo
C2 - 34562706
AN - SCOPUS:85115745551
SN - 0045-6535
VL - 287
JO - Chemosphere
JF - Chemosphere
M1 - 132232
ER -