Viscosities and densities for 1-butyl-3-methylimidazolium hexafluorophosphate （[C4mim][PF6]） and N, N-dimethylformamide （DMF） binary mixtures have been measured at the temperature range from 293.15 K to 318.15 K. ...Viscosities and densities for 1-butyl-3-methylimidazolium hexafluorophosphate （[C4mim][PF6]） and N, N-dimethylformamide （DMF） binary mixtures have been measured at the temperature range from 293.15 K to 318.15 K. It is shown that the viscosities and densities decrease monotonously with temperature and the content of DMF. Various correlation methods including Arrhenius-like equation, Sedclon et al.＇s equation, Redlich-Kister equation with four parameters, and other empirical equations were applied to evaluate these experimental data. A model based on an equation of state Ior estimating the viscosity of mixtures containing ionic liquids were proposed by coupling with the excess Gibbs free energy model of viscosity, which can synchronously calculate the viscosity and the molar volume. The results show that the model gives a deviation of 8.29% for the viscosity, and a deviation of 1.05% for the molar volume when only one temperature-independent adjustable parameter is adopted. The correlation accuracy is further improved when two parameters or one temperature-dependent parameter is used.展开更多
The selection and design of an optimal solvent for extractive distillation require reliable vapour-liquid phase equilibrium data and knowledge of extraction mechanisms.Compared with time-consuming experiments,molecula...The selection and design of an optimal solvent for extractive distillation require reliable vapour-liquid phase equilibrium data and knowledge of extraction mechanisms.Compared with time-consuming experiments,molecular simulation presents great potential in research on the properties of fluids.Therefore,in this work,Gibbs ensemble Monte Carlo was applied to successfully predict the vapour-liquid phase equilibrium data of binary and ternary systems containing benzene,thiophene and N,Ndimethylformamide(DMF) at P=101.3 kPa.The explicit hydrogen version of the transferable potentials for phase equilibria potential model was chosen for benzene and thiophene,whereas the OPLS potential model was selected for DMF.The predicted phase diagrams were compared with experimental data and the UNIQUAC thermodynamic model.A good agreement was obtained,which corroborated the validity of the potential models.In addition,the extraction mechanism was explored by radial distribution function(RDF) of the liquid-phase structure.The RDFs showed that thiophene and benzene shared a similar liquidphase structure because of the intermolecular interaction.The distinct difference between the RDFs of DMF/benzene and those of DMF/thiophene is that the oxygen atom of DMF is more associated with hydrogen atoms of thiophene than that of benzene,which may be responsible for the extraction effect of DMF.展开更多
本文以NH4BF4为氟源,在N,N-二甲基甲酰胺(DMF)辅助下,合成了不同形貌的ZnOHF微/纳米结构(纳米棒、微米管和纳米片),其中DMF既是溶剂,也是配体调节产物结构。本论文探究了DMF和H2O的比例在合成不同形貌的ZnOHF微/纳米结构过程中的作用。...本文以NH4BF4为氟源,在N,N-二甲基甲酰胺(DMF)辅助下,合成了不同形貌的ZnOHF微/纳米结构(纳米棒、微米管和纳米片),其中DMF既是溶剂,也是配体调节产物结构。本论文探究了DMF和H2O的比例在合成不同形貌的ZnOHF微/纳米结构过程中的作用。在紫外灯辐照下,测定了不同形貌的ZnOHF对罗丹明B溶液的光催化活性,结果表明在12.5 mL DMF/12.5mL H2O溶剂中,得到的微米管状ZnOHF的光催化性质最好。展开更多
The cyclic voltammetry, current time curve at potential step and potential time curve of galvanostatic method were used to investigate the electrochemical behavior of Er(Ⅲ) in ErCl 3 LiClO 4 DMF(N, N dimethylformamid...The cyclic voltammetry, current time curve at potential step and potential time curve of galvanostatic method were used to investigate the electrochemical behavior of Er(Ⅲ) in ErCl 3 LiClO 4 DMF(N, N dimethylformamide) system on Pt and Cu electrodes. Results indicate that the electroreducation of Er(Ⅲ) to Er(0) is irreversible on Pt and Cu electrodes, the diffusion coefficient and electron transfer coefficient of Er(Ⅲ) in 0.01 mol/L ErCl 3 0.1 mol/L LiClO 4 DMF system at 303 K are 1.96×10 -6 cm 2·s -1 and 0.081 respectively. The Er metal film was prepared by galvanostatic electrolysis on Cu electrode in ErCl 3 LiClO 4 DMF system at 40 A·m -2 (current density). The deposites composed of Er over 95%(mass fraction) were obtained.展开更多
A copper-based non-aqueous-phase desulfurization agent is prepared by adding CuCl_(2) to the solvent N,Ndimethylformamide(DMF).Static desulfurization experiments show that the agent has high efficiency.However,the des...A copper-based non-aqueous-phase desulfurization agent is prepared by adding CuCl_(2) to the solvent N,Ndimethylformamide(DMF).Static desulfurization experiments show that the agent has high efficiency.However,the desulfurization reaction leads to the formation of a copper sulfide precipitate.It is found that the addition of chloride ions in the form of hydrochloric acid or potassium chloride prevents the formation of copper sulfide,and elemental sulfur is precipitated instead.The efficient absorption of H2S by the Cu/HCl–DMF agent relies on the rapid coordination of Cu^(2+)with DMF,Cl^(−),and H2S molecules to form a[Cu(DMF)_(n−p)(HS−)_(p)(Cl−)_(m)]_((2−p−m))+complex.The desulfurization agent has a sulfur capacity of up to 9.81 g/L when used in static bubble desulfurization at atmospheric pressure.The system has low viscosity and good chemical and thermal stability.It can be rapidly regenerated through continuous oxidation.After five repetitions of the regeneration procedure,the sulfur capacity reaches more than 91%of the initial capacity,indicating the potential of the system for commercial applications.展开更多
基金Supported by the National Natural Science Foundation of China （20476025, 20776040）, Shanghai Municipal Science and Technology Commission of China （05DJ14002） and Hubei Key Laboratory of Novel Chemical Reactor and Green Chemical Technology of China （XLHX2007002）.
文摘Viscosities and densities for 1-butyl-3-methylimidazolium hexafluorophosphate （[C4mim][PF6]） and N, N-dimethylformamide （DMF） binary mixtures have been measured at the temperature range from 293.15 K to 318.15 K. It is shown that the viscosities and densities decrease monotonously with temperature and the content of DMF. Various correlation methods including Arrhenius-like equation, Sedclon et al.＇s equation, Redlich-Kister equation with four parameters, and other empirical equations were applied to evaluate these experimental data. A model based on an equation of state Ior estimating the viscosity of mixtures containing ionic liquids were proposed by coupling with the excess Gibbs free energy model of viscosity, which can synchronously calculate the viscosity and the molar volume. The results show that the model gives a deviation of 8.29% for the viscosity, and a deviation of 1.05% for the molar volume when only one temperature-independent adjustable parameter is adopted. The correlation accuracy is further improved when two parameters or one temperature-dependent parameter is used.
文摘The selection and design of an optimal solvent for extractive distillation require reliable vapour-liquid phase equilibrium data and knowledge of extraction mechanisms.Compared with time-consuming experiments,molecular simulation presents great potential in research on the properties of fluids.Therefore,in this work,Gibbs ensemble Monte Carlo was applied to successfully predict the vapour-liquid phase equilibrium data of binary and ternary systems containing benzene,thiophene and N,Ndimethylformamide(DMF) at P=101.3 kPa.The explicit hydrogen version of the transferable potentials for phase equilibria potential model was chosen for benzene and thiophene,whereas the OPLS potential model was selected for DMF.The predicted phase diagrams were compared with experimental data and the UNIQUAC thermodynamic model.A good agreement was obtained,which corroborated the validity of the potential models.In addition,the extraction mechanism was explored by radial distribution function(RDF) of the liquid-phase structure.The RDFs showed that thiophene and benzene shared a similar liquidphase structure because of the intermolecular interaction.The distinct difference between the RDFs of DMF/benzene and those of DMF/thiophene is that the oxygen atom of DMF is more associated with hydrogen atoms of thiophene than that of benzene,which may be responsible for the extraction effect of DMF.
文摘本文以NH4BF4为氟源,在N,N-二甲基甲酰胺(DMF)辅助下,合成了不同形貌的ZnOHF微/纳米结构(纳米棒、微米管和纳米片),其中DMF既是溶剂,也是配体调节产物结构。本论文探究了DMF和H2O的比例在合成不同形貌的ZnOHF微/纳米结构过程中的作用。在紫外灯辐照下,测定了不同形貌的ZnOHF对罗丹明B溶液的光催化活性,结果表明在12.5 mL DMF/12.5mL H2O溶剂中,得到的微米管状ZnOHF的光催化性质最好。
文摘The cyclic voltammetry, current time curve at potential step and potential time curve of galvanostatic method were used to investigate the electrochemical behavior of Er(Ⅲ) in ErCl 3 LiClO 4 DMF(N, N dimethylformamide) system on Pt and Cu electrodes. Results indicate that the electroreducation of Er(Ⅲ) to Er(0) is irreversible on Pt and Cu electrodes, the diffusion coefficient and electron transfer coefficient of Er(Ⅲ) in 0.01 mol/L ErCl 3 0.1 mol/L LiClO 4 DMF system at 303 K are 1.96×10 -6 cm 2·s -1 and 0.081 respectively. The Er metal film was prepared by galvanostatic electrolysis on Cu electrode in ErCl 3 LiClO 4 DMF system at 40 A·m -2 (current density). The deposites composed of Er over 95%(mass fraction) were obtained.
基金the China National Science and Technology Major Project(2016ZX05017)the Sinopec Group Corporation 2020 Science and Technology Project“Organic Sulfur Catalytic Hydrolysis Technology Improves Quality Research”(No.120049-1).
文摘A copper-based non-aqueous-phase desulfurization agent is prepared by adding CuCl_(2) to the solvent N,Ndimethylformamide(DMF).Static desulfurization experiments show that the agent has high efficiency.However,the desulfurization reaction leads to the formation of a copper sulfide precipitate.It is found that the addition of chloride ions in the form of hydrochloric acid or potassium chloride prevents the formation of copper sulfide,and elemental sulfur is precipitated instead.The efficient absorption of H2S by the Cu/HCl–DMF agent relies on the rapid coordination of Cu^(2+)with DMF,Cl^(−),and H2S molecules to form a[Cu(DMF)_(n−p)(HS−)_(p)(Cl−)_(m)]_((2−p−m))+complex.The desulfurization agent has a sulfur capacity of up to 9.81 g/L when used in static bubble desulfurization at atmospheric pressure.The system has low viscosity and good chemical and thermal stability.It can be rapidly regenerated through continuous oxidation.After five repetitions of the regeneration procedure,the sulfur capacity reaches more than 91%of the initial capacity,indicating the potential of the system for commercial applications.
