The flow field of gas and liquid in a φ150mm rotating-stream-tray (RST) scrubber is simulated by using computational fluid dynamic (CFD) method. The sismulation is based on the two-equation RNG κ-ε turbulence model...The flow field of gas and liquid in a φ150mm rotating-stream-tray (RST) scrubber is simulated by using computational fluid dynamic (CFD) method. The sismulation is based on the two-equation RNG κ-ε turbulence model, Eulerian multiphase model, and a real-shape 3D model with a huge number of meshes. The simulation results include detailed information about velocity, pressure, volume fraction and so on. Some features of the flow field are obtained: liquid is atomized in a thin annular zone; a high velocity air zone prevents water drops at the bottom from flying towards the wall; the pressure varies sharply at the end of blades and so on. The results will be helpful for structure optimization and engineering design.展开更多
An equation of state （EOS） for square-well chain fluids with variable range （SWCF-VR） developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperat...An equation of state （EOS） for square-well chain fluids with variable range （SWCF-VR） developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperature （pVT） and phase equilibrium of pure ionic liquids （ILs） and their mixtures. The new molecular parameters for 23 ILs were obtained by fitting their experimental density data over a wide temperature and pressure ranges. The mo- lecular parameters of ILs composed of homologous organic cation and an identical anion such as [Cxmim][NTf2] are good linear with respect to their molecular weight, indicating that the molecular parameters of homologous substances, subsequently p VT and vapor-liquid equilibria vapor-liquid equilibria （VLE） can be predicted using the generalized parameter when no experimental data were available. The new set of parameters were satisfactorily used for calculations of the property of solvent and ILs mixture and the solubility of gas in various ILs at low pressure only using one temperature-independent binary interaction parameter.展开更多
In order to study the basic characteristics of gas flow field in the atomizing chamber near the nozzle outlet of the vortical loop slit atomizer and its influence mechanism on clogging phenomenon,the computational flu...In order to study the basic characteristics of gas flow field in the atomizing chamber near the nozzle outlet of the vortical loop slit atomizer and its influence mechanism on clogging phenomenon,the computational fluid dynamics(CFD)software Fluent is used to conduct a numerical simulation of the gas flow field in the atomizing chamber near the nozzle outlet of this atomizer under different annular slit widths,different atomization gas pressures and different protrusion lengths of the melt delivery tube. The results show that under atomization gas pressure p=4.5 MPa,the greater the annular slit width D,the lower the static temperature near the central hole outlet at the front end of the melt delivery tube,and the smaller the aspirating pressure at the front end of the melt delivery tube. These features can effectively prevent the occurrence of the clogging phenomenon of metallic melt. Under an annular slit width of D=1.2 mm,when the atomization gas pressure satisfies 1 MPa ≤ p ≤ 2 MPa and increases gradually,the aspirating pressure at the front end of the melt delivery tube will decline rapidly. This can prevent the clogging phenomenon of metallic melt. However,when the atomization gas pressure p >2 MPa,the greater the atomization gas pressure,the lower the static temperature near the central hole outlet at the front end of the melt delivery tube,and the greater the aspirating pressure at the front end of the melt delivery tube. Hence,the effect of preventing the solidification-induced clogging phenomenon of metallic melt is restricted. When atomization gas pressure is p =4.5 MPa and annular slit width is D=1.2 mm,the greater the protrusion length H of the melt delivery tube,and the smaller the aspirating pressure at its front end. The static temperature near the central hole that can be observed in its front end is approximate to effectively prevent the occurrence of clogging phenomenon of metallic melt. However,because of the small aspirating pressure,the metallic melt flows into the atomizing chamber from the central hole at the front end of the melt delivery tube at an increasing speed and the gas-melt ratio in the mass flow rate is reduced,which is not conducive to the improvement of atomization performance.展开更多
A phase-field model with forced liquid metal flow was employed to study the effect of boundary heat flux on the dendritic structure forming of a Ni-40.8%Cu alloy with liquid flow during solidification.The effect of th...A phase-field model with forced liquid metal flow was employed to study the effect of boundary heat flux on the dendritic structure forming of a Ni-40.8%Cu alloy with liquid flow during solidification.The effect of the flow field coupling with boundary heat extractions on the morphology change and distributions of concentration and temperature fields was analyzed and discussed.The forced liquid flow could significantly affect the dendrite morphology,concentration and temperature distributions in the solidifying microstructure.And coupling with boundary heat extraction,the solute segregation and concentration diffusion were changed with different heat flux.The morphology,concentration and temperature distributions were significantly influenced by increasing the heat extraction,which could relatively make the effect of liquid flow constrained.With increasing the initial velocity of liquid flow,the lopsided rate of the primary dendrite arm was enlarged and the transition of developing manner of the secondary arms moved to the large heat extraction direction.It was the competition between heat flux and forced liquid flow that finally determined microstructure forming during solidification.展开更多
Quantum chemical computations have been performed to evaluate the first and second hyperpolarizability quantities of the interference term, linear in the external static electric field, that appear in the electric fie...Quantum chemical computations have been performed to evaluate the first and second hyperpolarizability quantities of the interference term, linear in the external static electric field, that appear in the electric field-induced sum-frequency generation signal of chiral liquids. These are performed at the time-dependent Hartree-Fock level on the prototypical 1,1′-bi-2-naphtol chiral species.展开更多
基金Supported by the National 863 Project (2001AA642030-1) and Zhejiang Provincial Key Research Project (010007037).
文摘The flow field of gas and liquid in a φ150mm rotating-stream-tray (RST) scrubber is simulated by using computational fluid dynamic (CFD) method. The sismulation is based on the two-equation RNG κ-ε turbulence model, Eulerian multiphase model, and a real-shape 3D model with a huge number of meshes. The simulation results include detailed information about velocity, pressure, volume fraction and so on. Some features of the flow field are obtained: liquid is atomized in a thin annular zone; a high velocity air zone prevents water drops at the bottom from flying towards the wall; the pressure varies sharply at the end of blades and so on. The results will be helpful for structure optimization and engineering design.
基金Supported by the National Natural Science Foundation of China （20876041, 20736002）, the National Basic Research Program of China （2009CB219902）, Program for Changjiang Scholars and Innovative Research Team in University of China （IRT0721） and the 111 Project of China （B08021）.
文摘An equation of state （EOS） for square-well chain fluids with variable range （SWCF-VR） developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperature （pVT） and phase equilibrium of pure ionic liquids （ILs） and their mixtures. The new molecular parameters for 23 ILs were obtained by fitting their experimental density data over a wide temperature and pressure ranges. The mo- lecular parameters of ILs composed of homologous organic cation and an identical anion such as [Cxmim][NTf2] are good linear with respect to their molecular weight, indicating that the molecular parameters of homologous substances, subsequently p VT and vapor-liquid equilibria vapor-liquid equilibria （VLE） can be predicted using the generalized parameter when no experimental data were available. The new set of parameters were satisfactorily used for calculations of the property of solvent and ILs mixture and the solubility of gas in various ILs at low pressure only using one temperature-independent binary interaction parameter.
基金supported by the Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD)the Simulation and Test of the Flow Field of Gas Atomization Nozzle (No. 1001-KFA19184)。
文摘In order to study the basic characteristics of gas flow field in the atomizing chamber near the nozzle outlet of the vortical loop slit atomizer and its influence mechanism on clogging phenomenon,the computational fluid dynamics(CFD)software Fluent is used to conduct a numerical simulation of the gas flow field in the atomizing chamber near the nozzle outlet of this atomizer under different annular slit widths,different atomization gas pressures and different protrusion lengths of the melt delivery tube. The results show that under atomization gas pressure p=4.5 MPa,the greater the annular slit width D,the lower the static temperature near the central hole outlet at the front end of the melt delivery tube,and the smaller the aspirating pressure at the front end of the melt delivery tube. These features can effectively prevent the occurrence of the clogging phenomenon of metallic melt. Under an annular slit width of D=1.2 mm,when the atomization gas pressure satisfies 1 MPa ≤ p ≤ 2 MPa and increases gradually,the aspirating pressure at the front end of the melt delivery tube will decline rapidly. This can prevent the clogging phenomenon of metallic melt. However,when the atomization gas pressure p >2 MPa,the greater the atomization gas pressure,the lower the static temperature near the central hole outlet at the front end of the melt delivery tube,and the greater the aspirating pressure at the front end of the melt delivery tube. Hence,the effect of preventing the solidification-induced clogging phenomenon of metallic melt is restricted. When atomization gas pressure is p =4.5 MPa and annular slit width is D=1.2 mm,the greater the protrusion length H of the melt delivery tube,and the smaller the aspirating pressure at its front end. The static temperature near the central hole that can be observed in its front end is approximate to effectively prevent the occurrence of clogging phenomenon of metallic melt. However,because of the small aspirating pressure,the metallic melt flows into the atomizing chamber from the central hole at the front end of the melt delivery tube at an increasing speed and the gas-melt ratio in the mass flow rate is reduced,which is not conducive to the improvement of atomization performance.
基金supported by the NPU Foundation of Fundamental Research,China(Grant No.JC201272)
文摘A phase-field model with forced liquid metal flow was employed to study the effect of boundary heat flux on the dendritic structure forming of a Ni-40.8%Cu alloy with liquid flow during solidification.The effect of the flow field coupling with boundary heat extractions on the morphology change and distributions of concentration and temperature fields was analyzed and discussed.The forced liquid flow could significantly affect the dendrite morphology,concentration and temperature distributions in the solidifying microstructure.And coupling with boundary heat extraction,the solute segregation and concentration diffusion were changed with different heat flux.The morphology,concentration and temperature distributions were significantly influenced by increasing the heat extraction,which could relatively make the effect of liquid flow constrained.With increasing the initial velocity of liquid flow,the lopsided rate of the primary dendrite arm was enlarged and the transition of developing manner of the secondary arms moved to the large heat extraction direction.It was the competition between heat flux and forced liquid flow that finally determined microstructure forming during solidification.
基金The calculations were performed on the computing facilities of the Consortium deséquipements de Calcul Intensif(CéCI),in particular those of the Plateforme Technologique de Calcul Intensif(PTCI)installed in the University of Namur,for which we gratefully acknowledge financial support of the FNRS-FRFC(2.4.617.07.F,2.5020.11)
文摘Quantum chemical computations have been performed to evaluate the first and second hyperpolarizability quantities of the interference term, linear in the external static electric field, that appear in the electric field-induced sum-frequency generation signal of chiral liquids. These are performed at the time-dependent Hartree-Fock level on the prototypical 1,1′-bi-2-naphtol chiral species.
