A new inorganic-organic hybrid framework microporous material Cd 3(BDC) 0.5(BTC) 2·(DMF)(H 2O)·3DMF·H 3O·H 2O, in which two kinds of carboxylate ligands coordinate with cadmium ions synchronously, ...A new inorganic-organic hybrid framework microporous material Cd 3(BDC) 0.5(BTC) 2·(DMF)(H 2O)·3DMF·H 3O·H 2O, in which two kinds of carboxylate ligands coordinate with cadmium ions synchronously, was obtained under a mild synthesis condition. The titled compound is crystallized in a monoclinic system, space group P2(1)/c with a=1.584 7(7) nm, b=1.426 7(6) nm, c=1.936 3(6) nm, β=113.186(7)°, V=4.024 6(3) nm 3, Z=4, D X=1.947 mg/m 3, M r=1 179.92, μ=1.662 mm -1, F(000)=2 344, R=0.074 8, wR=0.215 1. Three cadmium centers link with each other through BDC or BTC ligand to form a 3-D open framework.展开更多
Compound [Co 3(BTC)(HBTC)(H 2BTC)(C 2H 4O 2) 3]·3(DMF)·6(H 3O) was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure ...Compound [Co 3(BTC)(HBTC)(H 2BTC)(C 2H 4O 2) 3]·3(DMF)·6(H 3O) was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure was solved by direct method and refined by full-matrix least-square method. The crystal is monoclinic and belongs to space group Cc with a=2.645 3(5) nm, b= 1.670 4(3) nm, c=1\^821 6(4) nm, β=128.16(3) °, V=6.329(2) nm 3, Z=2 , D c=20.200 Mg/m 3, M r= 1 314.744, μ=10.274 mm -1, F(000) =38 226, GOF=0.99, R=0.094 1, ωR=0.257 3.展开更多
The title compound H2SiW12O40·(CH3)2NH was synthesized in mixed solvent of aqueous and acetonitrile, and its crystal structure had been determined using single crystal X ray diffraction. The crystal belongs to mo...The title compound H2SiW12O40·(CH3)2NH was synthesized in mixed solvent of aqueous and acetonitrile, and its crystal structure had been determined using single crystal X ray diffraction. The crystal belongs to monoclinic, space group C2/m, a=2.0654(4)nm, b=1.3306(3)nm, c=1.3194(3)nm, β=119.59(3)°, V=3.1531(11)nm3, Dc=3.606Mg·m-3, Z=2, R=0.0462, Rw=0.0836. The title compound comprises of a 2+ unit, a polyanion and a free (CH3)2NH molecule. The ESR spectrum of the title compound shows that charge transfer between organic groups and polyanion takes place under irradiation of the sunlight in solid state. The TG study of the title compound shows that it had four stages of the weight loss, and the increase of the decomposition temperature for the polyanion shows that the stability of the polyanion was enhanced due to the influence of Zn2+ ion. CCDC:175866.展开更多
A novel coordination polymer [(C10H16N)2(Pb2I6)·2DMF·H2O]n (C10H16N=N-butyl-2-Methy-Pyridinium) was synthesized by the reaction of Pb(NO3)2 with C6H10NI at room temperature in DMF solvent and structurally ch...A novel coordination polymer [(C10H16N)2(Pb2I6)·2DMF·H2O]n (C10H16N=N-butyl-2-Methy-Pyridinium) was synthesized by the reaction of Pb(NO3)2 with C6H10NI at room temperature in DMF solvent and structurally characterized by means of X-ray single diffraction. The title compound crystallizes in triclinic system, space group P1 with a=1.123 7(2) nm, b=1.253 30(16) nm, c=0.808 00(12) nm, 穖-3, F(000)=738, chemical formula C26H48N4O3Pb2I6 and Mr=1 640.46, ombined by static attracting forces in the crystal. DMF and H2O locate between the organic and inorganic moiety. CCDC: 210812.展开更多
A new compound [Cu（AFO）2（N3）2]（DMF）（H2O）（AFO=4,5-diazafluorene-9-one）was synthesized.Its structure was determined by single X-ray diffraction.The crystal belongs to monoclinic system,space group C2/c.The cry...A new compound [Cu（AFO）2（N3）2]（DMF）（H2O）（AFO=4,5-diazafluorene-9-one）was synthesized.Its structure was determined by single X-ray diffraction.The crystal belongs to monoclinic system,space group C2/c.The crystallographic data,were determined a=1.2609（2）nm,b=0.8000（1）nm,c=2.6220（4）nm,β=109.964（6）°,V=2.4859（6）nm3,Z=4,F（000）=1236,Mr=603.07,Dc=1.611 Mg/m3,μ=0.937 nm-1,R1=0.0561,and wR2=0.1290.In the crystal Cu（II） atom is coordinated with four nitrogen from two AFO ligands and two nitrogen atoms from two azide ions to form an elonged-octahedron geometry.展开更多
Phase behavior of carbon dioxide/water binary mixtures plays an important role in various CO2-based industry processes. This work aims to screen a thermodynamic model out of a number of promising candidate models to c...Phase behavior of carbon dioxide/water binary mixtures plays an important role in various CO2-based industry processes. This work aims to screen a thermodynamic model out of a number of promising candidate models to capture the vapor–liquid equilibria, liquid–liquid equilibria, and phase densities of CO2/H2O mixtures. A comprehensive analysis reveals that Peng–Robinson equation of state (PR EOS) (Peng and Robinson 1976), Twu α function (Twu et al. 1991), Huron–Vidal mixing rule (Huron and Vidal 1979), and Abudour et al. (2013) volume translation model (Abudour et al. 2013) is the best model among the ones examined;it yields average absolute percentage errors of 5.49% and 2.90% in reproducing the experimental phase composition data and density data collected in the literature. After achieving the reliable modeling of phase compositions and densities, a new IFT correlation based on the aforementioned PR EOS model is proposed through a nonlinear regression of the measured IFT data collected from the literature over 278.15–477.59 K and 1.00–1200.96 bar. Although the newly proposed IFT correlation only slightly improves the prediction accuracy yielded by the refitted Chen and Yang (2019)’s correlation (Chen and Yang 2019), the proposed correlation avoids the inconsistent predictions present in Chen and Yang (2019)’s correlation and yields smooth IFT predictions.展开更多
The supercritical H2O/CO2 mixture is the working fluid to drive a turbine in a novel power generation system with coal gasified in supercritical water.This system is promising because of zero pollution emission in con...The supercritical H2O/CO2 mixture is the working fluid to drive a turbine in a novel power generation system with coal gasified in supercritical water.This system is promising because of zero pollution emission in contrast to the conventional coal-fired power plant.Heat transfer coefficients of the supercritical H2O/CO2 mixtures are important to design heat transfer devices in this system,which is similar to the role of heat transfer to supercritical water in conventional systems.However,heat transfer to supercritical mixtures has received less attention.Here,we show that the supercritical mixtures with H2O being one of the components,have similar convection heat transfer behavior to supercritical pure fluids for temperatures and pressures above the critical point of H2O.This phenomenon was demonstrated from two aspects.Firstly,the forced convection heat transfer coefficients of supercritical mixtures were numerically calculated using the simulation model for supercritical pure fluids and using the thermophysical properties(density,heat capacity,thermal conductivity and viscosity)of supercritical mixtures as input.The calculated results agree well with experimental data in the supercritical region.Secondly,the calculated results also agree well with the correlations for supercritical pure fluids.The mechanisms were investigated by molecular dynamics simulations on the diffusion of supercritical mixtures.These results lay the foundation for predicting convection heat transfer coefficients of supercritical mixtures and for designing heat transfer devices with supercritical mixtures as heat transfer fluids.展开更多
Perfluorosulfonic acid/Polysulfone(PFSA/PSf) hollow fiber composite membranes have been prepared by dip-coating method using PSf ultrafiltration(UF) membrane as substrate with recovered PFSA.The composite membranes we...Perfluorosulfonic acid/Polysulfone(PFSA/PSf) hollow fiber composite membranes have been prepared by dip-coating method using PSf ultrafiltration(UF) membrane as substrate with recovered PFSA.The composite membranes were applied to the pervaporation separation of 95% ethanol(EtOH)/H2O mixture.SEM images show that the thickness of the PFSA skin layer of the composite membranes is about 2 μm,much thinner than those of other PFSA composite membranes revealed in the literatures.Effects of annealing temperature,coating solution concentration and counter-ions of PFSA on the pervaporation performances of the composite membranes were investigated.The total flux decreases and separation factor increases with the increase of annealing temperature.The highest permeation flux of 3230 g m-2 h-1 and a separation factor of 5.4 is obtained for the composite membrane annealed at 80°C.The lowest permeation flux of 396 g m-2 h-1 and a separation factor of 27.7 is obtained for the composite membrane annealed at 160°C.The permeation performances of the PFSA/PSf composite membrane are evidently influenced by the counter-ions of PFSA.The flux sequence of the PFSA/PSf composite membranes with different counter-ions is H+】Li+】Ca2+】Mg2+】Na+】K+】Ba2+】Fe3+】Al3+,and the separation factor sequence is H+【Li+【Al3+【Na+【Mg2+【Ca2+【K+ 【Ba2+【Fe3+.The apparent activation energy △Eapp values of the composite membranes with different counter-ions were calculated by Arrhenius law.The sequence of △Eapp values for the membranes with monovalent counter-ions is Li+】Na+】K+.There are very little variations of △Eapp values between the composite membranes with three divalent counterions(Mg2+,Ca2+ and Ba2+),and the △Eapp values of the composite membranes with two trivalent counterions(Fe3+ and Al3+) are relatively high.展开更多
文摘A new inorganic-organic hybrid framework microporous material Cd 3(BDC) 0.5(BTC) 2·(DMF)(H 2O)·3DMF·H 3O·H 2O, in which two kinds of carboxylate ligands coordinate with cadmium ions synchronously, was obtained under a mild synthesis condition. The titled compound is crystallized in a monoclinic system, space group P2(1)/c with a=1.584 7(7) nm, b=1.426 7(6) nm, c=1.936 3(6) nm, β=113.186(7)°, V=4.024 6(3) nm 3, Z=4, D X=1.947 mg/m 3, M r=1 179.92, μ=1.662 mm -1, F(000)=2 344, R=0.074 8, wR=0.215 1. Three cadmium centers link with each other through BDC or BTC ligand to form a 3-D open framework.
文摘Compound [Co 3(BTC)(HBTC)(H 2BTC)(C 2H 4O 2) 3]·3(DMF)·6(H 3O) was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure was solved by direct method and refined by full-matrix least-square method. The crystal is monoclinic and belongs to space group Cc with a=2.645 3(5) nm, b= 1.670 4(3) nm, c=1\^821 6(4) nm, β=128.16(3) °, V=6.329(2) nm 3, Z=2 , D c=20.200 Mg/m 3, M r= 1 314.744, μ=10.274 mm -1, F(000) =38 226, GOF=0.99, R=0.094 1, ωR=0.257 3.
文摘The title compound H2SiW12O40·(CH3)2NH was synthesized in mixed solvent of aqueous and acetonitrile, and its crystal structure had been determined using single crystal X ray diffraction. The crystal belongs to monoclinic, space group C2/m, a=2.0654(4)nm, b=1.3306(3)nm, c=1.3194(3)nm, β=119.59(3)°, V=3.1531(11)nm3, Dc=3.606Mg·m-3, Z=2, R=0.0462, Rw=0.0836. The title compound comprises of a 2+ unit, a polyanion and a free (CH3)2NH molecule. The ESR spectrum of the title compound shows that charge transfer between organic groups and polyanion takes place under irradiation of the sunlight in solid state. The TG study of the title compound shows that it had four stages of the weight loss, and the increase of the decomposition temperature for the polyanion shows that the stability of the polyanion was enhanced due to the influence of Zn2+ ion. CCDC:175866.
文摘A novel coordination polymer [(C10H16N)2(Pb2I6)·2DMF·H2O]n (C10H16N=N-butyl-2-Methy-Pyridinium) was synthesized by the reaction of Pb(NO3)2 with C6H10NI at room temperature in DMF solvent and structurally characterized by means of X-ray single diffraction. The title compound crystallizes in triclinic system, space group P1 with a=1.123 7(2) nm, b=1.253 30(16) nm, c=0.808 00(12) nm, 穖-3, F(000)=738, chemical formula C26H48N4O3Pb2I6 and Mr=1 640.46, ombined by static attracting forces in the crystal. DMF and H2O locate between the organic and inorganic moiety. CCDC: 210812.
文摘A new compound [Cu（AFO）2（N3）2]（DMF）（H2O）（AFO=4,5-diazafluorene-9-one）was synthesized.Its structure was determined by single X-ray diffraction.The crystal belongs to monoclinic system,space group C2/c.The crystallographic data,were determined a=1.2609（2）nm,b=0.8000（1）nm,c=2.6220（4）nm,β=109.964（6）°,V=2.4859（6）nm3,Z=4,F（000）=1236,Mr=603.07,Dc=1.611 Mg/m3,μ=0.937 nm-1,R1=0.0561,and wR2=0.1290.In the crystal Cu（II） atom is coordinated with four nitrogen from two AFO ligands and two nitrogen atoms from two azide ions to form an elonged-octahedron geometry.
文摘Phase behavior of carbon dioxide/water binary mixtures plays an important role in various CO2-based industry processes. This work aims to screen a thermodynamic model out of a number of promising candidate models to capture the vapor–liquid equilibria, liquid–liquid equilibria, and phase densities of CO2/H2O mixtures. A comprehensive analysis reveals that Peng–Robinson equation of state (PR EOS) (Peng and Robinson 1976), Twu α function (Twu et al. 1991), Huron–Vidal mixing rule (Huron and Vidal 1979), and Abudour et al. (2013) volume translation model (Abudour et al. 2013) is the best model among the ones examined;it yields average absolute percentage errors of 5.49% and 2.90% in reproducing the experimental phase composition data and density data collected in the literature. After achieving the reliable modeling of phase compositions and densities, a new IFT correlation based on the aforementioned PR EOS model is proposed through a nonlinear regression of the measured IFT data collected from the literature over 278.15–477.59 K and 1.00–1200.96 bar. Although the newly proposed IFT correlation only slightly improves the prediction accuracy yielded by the refitted Chen and Yang (2019)’s correlation (Chen and Yang 2019), the proposed correlation avoids the inconsistent predictions present in Chen and Yang (2019)’s correlation and yields smooth IFT predictions.
基金supported by the National Key R&D Program of China(Grant No.2016YFB0600100)the Fundamental Research Funds for the Central Universities(Grant No.30919011403)。
文摘The supercritical H2O/CO2 mixture is the working fluid to drive a turbine in a novel power generation system with coal gasified in supercritical water.This system is promising because of zero pollution emission in contrast to the conventional coal-fired power plant.Heat transfer coefficients of the supercritical H2O/CO2 mixtures are important to design heat transfer devices in this system,which is similar to the role of heat transfer to supercritical water in conventional systems.However,heat transfer to supercritical mixtures has received less attention.Here,we show that the supercritical mixtures with H2O being one of the components,have similar convection heat transfer behavior to supercritical pure fluids for temperatures and pressures above the critical point of H2O.This phenomenon was demonstrated from two aspects.Firstly,the forced convection heat transfer coefficients of supercritical mixtures were numerically calculated using the simulation model for supercritical pure fluids and using the thermophysical properties(density,heat capacity,thermal conductivity and viscosity)of supercritical mixtures as input.The calculated results agree well with experimental data in the supercritical region.Secondly,the calculated results also agree well with the correlations for supercritical pure fluids.The mechanisms were investigated by molecular dynamics simulations on the diffusion of supercritical mixtures.These results lay the foundation for predicting convection heat transfer coefficients of supercritical mixtures and for designing heat transfer devices with supercritical mixtures as heat transfer fluids.
基金supported by the Leading Academic Discipline Project of SHNU (No.DZL807)Innovation Program of Shanghai Municipal Education Commission (No.09YZ163)Shanghai Municipal Natural Science Foundation (No.09ZR1423300)
文摘Perfluorosulfonic acid/Polysulfone(PFSA/PSf) hollow fiber composite membranes have been prepared by dip-coating method using PSf ultrafiltration(UF) membrane as substrate with recovered PFSA.The composite membranes were applied to the pervaporation separation of 95% ethanol(EtOH)/H2O mixture.SEM images show that the thickness of the PFSA skin layer of the composite membranes is about 2 μm,much thinner than those of other PFSA composite membranes revealed in the literatures.Effects of annealing temperature,coating solution concentration and counter-ions of PFSA on the pervaporation performances of the composite membranes were investigated.The total flux decreases and separation factor increases with the increase of annealing temperature.The highest permeation flux of 3230 g m-2 h-1 and a separation factor of 5.4 is obtained for the composite membrane annealed at 80°C.The lowest permeation flux of 396 g m-2 h-1 and a separation factor of 27.7 is obtained for the composite membrane annealed at 160°C.The permeation performances of the PFSA/PSf composite membrane are evidently influenced by the counter-ions of PFSA.The flux sequence of the PFSA/PSf composite membranes with different counter-ions is H+】Li+】Ca2+】Mg2+】Na+】K+】Ba2+】Fe3+】Al3+,and the separation factor sequence is H+【Li+【Al3+【Na+【Mg2+【Ca2+【K+ 【Ba2+【Fe3+.The apparent activation energy △Eapp values of the composite membranes with different counter-ions were calculated by Arrhenius law.The sequence of △Eapp values for the membranes with monovalent counter-ions is Li+】Na+】K+.There are very little variations of △Eapp values between the composite membranes with three divalent counterions(Mg2+,Ca2+ and Ba2+),and the △Eapp values of the composite membranes with two trivalent counterions(Fe3+ and Al3+) are relatively high.
