推导了轴对称几何下的MOF(Moment of Fluid)界面重构,将其与多介质ALE方法相耦合,形成MOFMMALE方法,并应用于多介质大变形流动问题的数值模拟研究。数值算例表明,耦合MOF界面重构的多介质ALE方法是求解多介质大变形流动问题的有效手段,...推导了轴对称几何下的MOF(Moment of Fluid)界面重构,将其与多介质ALE方法相耦合,形成MOFMMALE方法,并应用于多介质大变形流动问题的数值模拟研究。数值算例表明,耦合MOF界面重构的多介质ALE方法是求解多介质大变形流动问题的有效手段,并且具有很好的界面精度和分辨率。展开更多
Aluminum-based metal-organic frameworks(Al-MOFs)feature low density,high stability,and non-toxicity,making them highly promising for adsorption-related applications.In this study,we report the construction of a novel ...Aluminum-based metal-organic frameworks(Al-MOFs)feature low density,high stability,and non-toxicity,making them highly promising for adsorption-related applications.In this study,we report the construction of a novel nia-type Al-MOF based on 6-connected trinuclear Al_(3) clusters,HIAM-341,employing an isophthalate-derived hexatopic linker.It exhibits a robust structure with a BET surface area of 1094 m^(2)·g^(–1),with a pore size of 4.7A.HIAM-341 demonstrates size-sieving separation of hexane isomers,with adsorption capacities of 164 and 54 mg·g^(-1) for n-hexane and 3-methylpentane at 303 K and 1 bar,respectively,while excluding 2,2-dimethylbutane.Multicomponent breakthrough experiments further confirm its separation capability,and the underlying selective molecular exclusion mechanism has been uncovered by DFT calculations.Our research provides new insights into the rational design of robust Al-MOFs with tailored pore structures by employing organic linkers with high coordination density for targeted separations.展开更多
The on-site monitoring of phosphate is important for environmental management.Conventional phosphate detection methods are not appropriate to on-site monitoring owing to the use of complicated detection procedures,and...The on-site monitoring of phosphate is important for environmental management.Conventional phosphate detection methods are not appropriate to on-site monitoring owing to the use of complicated detection procedures,and the consequent high cost and maintenance requirements of the detection apparatus.Here,a highly sensitive fluorescence-based method for phosphate detection with a wide detection range was developed based on a luminescent aluminum-based metal-organic framework(Al-MOF).The Al-MOF was prepared by introducing amine functional groups to conventional MIL to enhance phosphate binding,and exhibited excellent fluorescence properties that originated from the ligand-to-metal charge transfer(LMCT).The detection limit was as low as 3.25µmol/L(0.10 mg/L)and the detection range was as wide as 3–350µmol/L(0.10–10.85 mg/L).Moreover,Al-MOF displayed specific recognition toward phosphate over most anions and metal cations,even for a high concentration of the co-existent ions.The mechanism of phosphate detection was analyzed through the characterization of the combination of Al-MOF and phosphate,and the results indicated the high affinity between Al-O and phosphate inhibited that the LMCT process and recovered the intrinsic fluorescence of NH2−H2BDC.The recovery of the developed detection method reached a satisfactory range of 85.1%–111.0%,and the feasibility of on-site phosphate detection was verified using a prototype sensor for tap water and lake water samples.It was demonstrated that the prepared Al-MOF is highly promising for on-site detection of phosphate in an aqueous environment.展开更多
基金the National Natural Science Foundation of China(22478251)Shenzhen Polytechnic University Research Fund(Nos.6024310024K,6022312041K)the Post-doctoral Later-stage Foundation Project of Shenzhen Poly-technic(Project No.6021271010K)for financial support.
文摘Aluminum-based metal-organic frameworks(Al-MOFs)feature low density,high stability,and non-toxicity,making them highly promising for adsorption-related applications.In this study,we report the construction of a novel nia-type Al-MOF based on 6-connected trinuclear Al_(3) clusters,HIAM-341,employing an isophthalate-derived hexatopic linker.It exhibits a robust structure with a BET surface area of 1094 m^(2)·g^(–1),with a pore size of 4.7A.HIAM-341 demonstrates size-sieving separation of hexane isomers,with adsorption capacities of 164 and 54 mg·g^(-1) for n-hexane and 3-methylpentane at 303 K and 1 bar,respectively,while excluding 2,2-dimethylbutane.Multicomponent breakthrough experiments further confirm its separation capability,and the underlying selective molecular exclusion mechanism has been uncovered by DFT calculations.Our research provides new insights into the rational design of robust Al-MOFs with tailored pore structures by employing organic linkers with high coordination density for targeted separations.
基金supported by the National Key Research and Development Program of China(No.2021YFC3200604)the Oceanic Interdisciplinary Program of Shanghai Jiao Tong University(No.SL2020MS014).
文摘The on-site monitoring of phosphate is important for environmental management.Conventional phosphate detection methods are not appropriate to on-site monitoring owing to the use of complicated detection procedures,and the consequent high cost and maintenance requirements of the detection apparatus.Here,a highly sensitive fluorescence-based method for phosphate detection with a wide detection range was developed based on a luminescent aluminum-based metal-organic framework(Al-MOF).The Al-MOF was prepared by introducing amine functional groups to conventional MIL to enhance phosphate binding,and exhibited excellent fluorescence properties that originated from the ligand-to-metal charge transfer(LMCT).The detection limit was as low as 3.25µmol/L(0.10 mg/L)and the detection range was as wide as 3–350µmol/L(0.10–10.85 mg/L).Moreover,Al-MOF displayed specific recognition toward phosphate over most anions and metal cations,even for a high concentration of the co-existent ions.The mechanism of phosphate detection was analyzed through the characterization of the combination of Al-MOF and phosphate,and the results indicated the high affinity between Al-O and phosphate inhibited that the LMCT process and recovered the intrinsic fluorescence of NH2−H2BDC.The recovery of the developed detection method reached a satisfactory range of 85.1%–111.0%,and the feasibility of on-site phosphate detection was verified using a prototype sensor for tap water and lake water samples.It was demonstrated that the prepared Al-MOF is highly promising for on-site detection of phosphate in an aqueous environment.
