Natural gums can be tailored and used for the removal of toxic dyes like crystal violet via grafting techniques. However, grafting via microwave irradiation showed both higher yield and fast reaction kinetics as compa...Natural gums can be tailored and used for the removal of toxic dyes like crystal violet via grafting techniques. However, grafting via microwave irradiation showed both higher yield and fast reaction kinetics as compared to conventional grafting. Silane modified nanoclay has been used to prepare acrylic acid grafted guar gum nanocomposites via microwave irradiation technique. The grafting was confirmed via infrared spectroscopy while XRD diffractograms suggested exfoliation of modified nanoclay in guar gum grafted acrylic acid. The reaction kinetic parameters have been optimized. The effect of nanoclay on swelling characteristics has been examined. The sensitivity of pH on swelling capabilities has also been assessed. The efficiency of the superabsorbent nanocomposite on the absorption of crystal violet dye has been studied. The superabsorbent nanocomposite loaded with 1.75% modified nanocaly was found to be optimal concentration for the removal of crystal violet dye.展开更多
In this study,twenty disazo reactive red dyes with J acid as coupling components were selected,and their ground state geometry were studied with BLYP functional and TZVP basis set. The UV-vis absorption spectra were c...In this study,twenty disazo reactive red dyes with J acid as coupling components were selected,and their ground state geometry were studied with BLYP functional and TZVP basis set. The UV-vis absorption spectra were calculated by time-dependent density functional theory(TDDFT) employing B3 LYP and PBE0 hybrid functionals and TZVP basis set,and the absolute mean errors are 0.094 e V and 0.133 e V for B3 LYP and PBE0,respectively. From the comparison of the calculated λ_(max) of the three conformations of disazo reactive red dye,cis-,trans-,and azo,with that of experimental one,we find out that conformation plays an important role on UV-Vis absorption. Dyes 6 and 8 exist in azo conformation rather than in cis-conformation. "Hole-electron" distribution analysis reveals that although these λ_(max) arises from different electron transitions,these electron excitations have the same character of local excitation(LE).展开更多
A novel smart metal-organic gel(MOG) formed from biscarboxyl-functionalized benzimidazole derivative(D11) in the presence of lead nitrate has been investigated.The critical gel concentration for the formation of M...A novel smart metal-organic gel(MOG) formed from biscarboxyl-functionalized benzimidazole derivative(D11) in the presence of lead nitrate has been investigated.The critical gel concentration for the formation of MOG was just 0.36 wt%,which exhibits a super gelation capability of D11.The coordination of the metal to the ligand D11 was found to play a vital role in the construction of the supramolecular MOG.Microstructures determined by SEM observation demonstrated that the MOG was formed by intertwined fibrils.Interestingly,the MOG exhibits pH-induced,thermo-induced,and chemical-induced reversible gel-sol transition.Meanwhile,this supramolecular MOG shows desirable absorption ability of methyl orange dye molecules in aqueous solution.展开更多
文摘Natural gums can be tailored and used for the removal of toxic dyes like crystal violet via grafting techniques. However, grafting via microwave irradiation showed both higher yield and fast reaction kinetics as compared to conventional grafting. Silane modified nanoclay has been used to prepare acrylic acid grafted guar gum nanocomposites via microwave irradiation technique. The grafting was confirmed via infrared spectroscopy while XRD diffractograms suggested exfoliation of modified nanoclay in guar gum grafted acrylic acid. The reaction kinetic parameters have been optimized. The effect of nanoclay on swelling characteristics has been examined. The sensitivity of pH on swelling capabilities has also been assessed. The efficiency of the superabsorbent nanocomposite on the absorption of crystal violet dye has been studied. The superabsorbent nanocomposite loaded with 1.75% modified nanocaly was found to be optimal concentration for the removal of crystal violet dye.
基金Supported by the Natural Science Foundation of Hubei Province(2010CDA089)the Foundation of Hubei Provincial Education Department(D20131605)the Discipline Innovation Team Project of Wuhan Textile University(201401020)
文摘In this study,twenty disazo reactive red dyes with J acid as coupling components were selected,and their ground state geometry were studied with BLYP functional and TZVP basis set. The UV-vis absorption spectra were calculated by time-dependent density functional theory(TDDFT) employing B3 LYP and PBE0 hybrid functionals and TZVP basis set,and the absolute mean errors are 0.094 e V and 0.133 e V for B3 LYP and PBE0,respectively. From the comparison of the calculated λ_(max) of the three conformations of disazo reactive red dye,cis-,trans-,and azo,with that of experimental one,we find out that conformation plays an important role on UV-Vis absorption. Dyes 6 and 8 exist in azo conformation rather than in cis-conformation. "Hole-electron" distribution analysis reveals that although these λ_(max) arises from different electron transitions,these electron excitations have the same character of local excitation(LE).
基金supported by the National Natural Science Foundation of China(Nos.21064006,21161018 and 21262032)the Program for Changjiang Scholars and Innovative Research Team in University of Ministry of Education of China(No.IRT1177)+2 种基金the Natural Science Foundation of Gansu Province(No. 1010RJZA018)the Youth Foundation of Gansu Province(No.1208RJYA048)NWNU-LKQN-11-32
文摘A novel smart metal-organic gel(MOG) formed from biscarboxyl-functionalized benzimidazole derivative(D11) in the presence of lead nitrate has been investigated.The critical gel concentration for the formation of MOG was just 0.36 wt%,which exhibits a super gelation capability of D11.The coordination of the metal to the ligand D11 was found to play a vital role in the construction of the supramolecular MOG.Microstructures determined by SEM observation demonstrated that the MOG was formed by intertwined fibrils.Interestingly,the MOG exhibits pH-induced,thermo-induced,and chemical-induced reversible gel-sol transition.Meanwhile,this supramolecular MOG shows desirable absorption ability of methyl orange dye molecules in aqueous solution.