Based on the lattice Boltzmann method,a lattice Boltzmann(LB) model of the ski-jump jet two-phase flow is developed first and the corresponding boundary conditions are studied.A simple case study of a droplet horizont...Based on the lattice Boltzmann method,a lattice Boltzmann(LB) model of the ski-jump jet two-phase flow is developed first and the corresponding boundary conditions are studied.A simple case study of a droplet horizontal movement calculation is carried out to test and verify the model,where level set method is used to track and reconstruct the moving droplet free surface. Then,we numerically simulate a two dimensional flow field of the ski-jump jet with the LB model,derive the moving surface and velocity vector field of the jet flow.The simulation results are very consistent with the physical mechanisms.The effectiveness and reliability of the model are demonstrated by the numerical examples.展开更多
Acetylacetone(AcAc)is a typical class ofβ-diketones with broad industrial applications due to the property of the keto-enol isomers,but its isomerization and chemical reactions at the air-droplet interface are still ...Acetylacetone(AcAc)is a typical class ofβ-diketones with broad industrial applications due to the property of the keto-enol isomers,but its isomerization and chemical reactions at the air-droplet interface are still unclear.Hence,using combined molecular dynamics and quantum chemistry methods,the heterogeneous chemistry of AcAc at the air-droplet interface was investigated,including the attraction of AcAc isomers by the droplets,the distribution of isomers at the air-droplet interface,and the hydration reactions of isomers at the air-droplet interface.The results reveal that the preferential orientation of two AcAc isomers(keto-and enol-AcAc)to accumulate and accommodate at the acidic air-droplet interface.The isomerization of two AcAc isomers at the acidic air-droplet interface is more favorable than that at the neutral air-droplet interface because the“water bridge”structure is destroyed by H_(3)O^(+),especially for the isomerization from keto-Ac Ac to enol-AcAc.At the acidic air-droplet interface,the carbonyl or hydroxyl O-atoms of two AcAc isomers display an energetical preference to hydration.Keto-diol is the dominant products to accumulate at the air-droplet interface,and excessive keto-diol can enter the droplet interior to engage in the oligomerization.The photooxidation reaction of AcAc will increase the acidity of the air-droplet interface,which indirectly facilitate the uptake and formation of more keto-diol.Our results provide an insight into the heterogeneous chemistry ofβ-diketones and their influence on the environment.展开更多
During solidifications of immiscible alloys,the motion of droplets at the solid/liquid(S/L)interface is gen-erally driven by dragging force,gravity force,repulsion force of interface,and thermal-solutal Marangoni forc...During solidifications of immiscible alloys,the motion of droplets at the solid/liquid(S/L)interface is gen-erally driven by dragging force,gravity force,repulsion force of interface,and thermal-solutal Marangoni force,However,there is few in situ study investigating kinetics behavior to analyze the forces on droplets.The mechanism of droplet motion remains unclear due to the unavailability or uncertainty of the effect of convection and solutal Marangoni force on droplet behavior.In this study,directional solidification of im-miscible Al-Bi alloy was observed via synchrotron radiography,and the horizontal oscillation of droplets at S/L interface was detected for the first time.Forces,especially solutal Marangoni force,were calcu-lated based on the in situ measured radius of droplets and thermal-solutal gradients.The experimental results cannot be reasonably explained by the previous analysis model which neglects melt convection.The non-negligible effect of flow on droplet motion was demonstrated,and the force balance of droplet both vertically and horizontally can be obtained considering a lift force of 6.39 × 10^(-9) N and a modified solute-related parameter dσ/dc of 0.45-0.65 J m^(-2),respectively.展开更多
Amphiphilic molecules adsorbed at the interface could control the orientation of liquid crystals(LCs)while LCs in turn could influence the distributions of amphiphilic molecules.The studies on the interactions between...Amphiphilic molecules adsorbed at the interface could control the orientation of liquid crystals(LCs)while LCs in turn could influence the distributions of amphiphilic molecules.The studies on the interactions between liquid crystals and amphiphilic molecules at the interface are important for the development of molecular sensors.In this paper,we demonstrate that the development of smectic LC ordering from isotropic at the LC/water interface could induce local high-density distributions of amphiphilic phospholipids.Mixtures of liquid crystals and phospholipids in chloroform are first emulsified in water.By fluorescently labeling the phospholipids adsorbed at the interface,their distributions are visualized under fluorescent confocal microscope.Interestingly,local high-density distributions of phospholipids showing a high fluorescent intensity are observed on the surface of LC droplets.Investigations on the correlation between phospholipid density,surface tension and smectic LC ordering suggest that when domains of smectic LC layers nucleate and grow from isotropic at the LC/water interface as chloroform slowly evaporates at room temperature,phospholipids transition from liquid-expanded to liquid-condensed phases in response to the smectic ordering,which induces a higher surface tension at the interface.The results will provide an important insight into the interactions between liquid crystals and amphiphilic molecules at the interface.展开更多
A gravity droplet crossing a liquid-liquid interface is covered on the forefront with a film of the leaving liquid phase. The film thickness is not homogeneous over the droplet surface, and it reduces as the droplet p...A gravity droplet crossing a liquid-liquid interface is covered on the forefront with a film of the leaving liquid phase. The film thickness is not homogeneous over the droplet surface, and it reduces as the droplet penetrates the interface, particularly in the stretched area where it then ruptures. An expression for the film thickness in the stretched region is deduced from a force balance. The film rupture is expected to occur at a droplet position when the normal stress in the stretched film reaches the tensile strength of the liquid. By using some experimental data from literature the expression delivers 26 nm for the film thickness at rupture, while Burrill and Woods [1] obtained experimentally values between 30 nm and 50 nm.展开更多
通过建立三维数学模型,采用有限体积(Volume of Fluid,VOF)耦合界面追踪法(Level-Set)的两相流界面追踪法(Coupled Level-Set and Volume of Fluid,CLSVOF),模拟We=266的水滴撞击干燥球面,对撞击后的水滴形态以及内部压力进行分析。研...通过建立三维数学模型,采用有限体积(Volume of Fluid,VOF)耦合界面追踪法(Level-Set)的两相流界面追踪法(Coupled Level-Set and Volume of Fluid,CLSVOF),模拟We=266的水滴撞击干燥球面,对撞击后的水滴形态以及内部压力进行分析。研究结果表明,水滴撞击球面经历了铺展-回缩-附着的过程。当水滴撞击到球面0.1ms后,最大压力从液膜最外侧逐渐向液膜中心移动;当液膜产生“冠指”时,最大压力再次转移到液膜最外侧;在回缩过程中,最大压力所处的位置逐渐向液膜中心移动,并在30.0ms时,再次回到液膜中心。此后,最大压力的相对位置保持不变,持续到稳定状态。展开更多
基金supported by the National Natural Science Foundation of China(Grant No.50579083)
文摘Based on the lattice Boltzmann method,a lattice Boltzmann(LB) model of the ski-jump jet two-phase flow is developed first and the corresponding boundary conditions are studied.A simple case study of a droplet horizontal movement calculation is carried out to test and verify the model,where level set method is used to track and reconstruct the moving droplet free surface. Then,we numerically simulate a two dimensional flow field of the ski-jump jet with the LB model,derive the moving surface and velocity vector field of the jet flow.The simulation results are very consistent with the physical mechanisms.The effectiveness and reliability of the model are demonstrated by the numerical examples.
基金supported by the Guangdong Basic and Applied Basic Research Foundation(No.2019B151502064)the National Natural Science Foundation of China(Nos.42077189,42020104001,and 42277081)+3 种基金the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program(No.2017BT01Z032)the Science and Technology Key Project of Guangdong ProvinceChina(No.2019B110206002)the Guangdong Provincial Key R&D Program(No.2022-GDUT-A0007)。
文摘Acetylacetone(AcAc)is a typical class ofβ-diketones with broad industrial applications due to the property of the keto-enol isomers,but its isomerization and chemical reactions at the air-droplet interface are still unclear.Hence,using combined molecular dynamics and quantum chemistry methods,the heterogeneous chemistry of AcAc at the air-droplet interface was investigated,including the attraction of AcAc isomers by the droplets,the distribution of isomers at the air-droplet interface,and the hydration reactions of isomers at the air-droplet interface.The results reveal that the preferential orientation of two AcAc isomers(keto-and enol-AcAc)to accumulate and accommodate at the acidic air-droplet interface.The isomerization of two AcAc isomers at the acidic air-droplet interface is more favorable than that at the neutral air-droplet interface because the“water bridge”structure is destroyed by H_(3)O^(+),especially for the isomerization from keto-Ac Ac to enol-AcAc.At the acidic air-droplet interface,the carbonyl or hydroxyl O-atoms of two AcAc isomers display an energetical preference to hydration.Keto-diol is the dominant products to accumulate at the air-droplet interface,and excessive keto-diol can enter the droplet interior to engage in the oligomerization.The photooxidation reaction of AcAc will increase the acidity of the air-droplet interface,which indirectly facilitate the uptake and formation of more keto-diol.Our results provide an insight into the heterogeneous chemistry ofβ-diketones and their influence on the environment.
基金National Natural Science Foundation of China(Nos.52271036 and 51971237)Shanghai Pujiang Program(No.21PJD030)。
文摘During solidifications of immiscible alloys,the motion of droplets at the solid/liquid(S/L)interface is gen-erally driven by dragging force,gravity force,repulsion force of interface,and thermal-solutal Marangoni force,However,there is few in situ study investigating kinetics behavior to analyze the forces on droplets.The mechanism of droplet motion remains unclear due to the unavailability or uncertainty of the effect of convection and solutal Marangoni force on droplet behavior.In this study,directional solidification of im-miscible Al-Bi alloy was observed via synchrotron radiography,and the horizontal oscillation of droplets at S/L interface was detected for the first time.Forces,especially solutal Marangoni force,were calcu-lated based on the in situ measured radius of droplets and thermal-solutal gradients.The experimental results cannot be reasonably explained by the previous analysis model which neglects melt convection.The non-negligible effect of flow on droplet motion was demonstrated,and the force balance of droplet both vertically and horizontally can be obtained considering a lift force of 6.39 × 10^(-9) N and a modified solute-related parameter dσ/dc of 0.45-0.65 J m^(-2),respectively.
基金supported by Zhejiang Provincial Natural Science Foundation of China(No.LY20B060027)National Natural Science Foundation of China(No.21878258)+2 种基金the Spanish Ministry of Economy MINECO for a Juan de la Cierva-Incorporacion Fellowship(No.IJCI-2014-22461)supported by the National Science Foundation(No.DMR1310266)the Harvard Materials Research Science and Engineering Center(No.DMR-1420570)。
文摘Amphiphilic molecules adsorbed at the interface could control the orientation of liquid crystals(LCs)while LCs in turn could influence the distributions of amphiphilic molecules.The studies on the interactions between liquid crystals and amphiphilic molecules at the interface are important for the development of molecular sensors.In this paper,we demonstrate that the development of smectic LC ordering from isotropic at the LC/water interface could induce local high-density distributions of amphiphilic phospholipids.Mixtures of liquid crystals and phospholipids in chloroform are first emulsified in water.By fluorescently labeling the phospholipids adsorbed at the interface,their distributions are visualized under fluorescent confocal microscope.Interestingly,local high-density distributions of phospholipids showing a high fluorescent intensity are observed on the surface of LC droplets.Investigations on the correlation between phospholipid density,surface tension and smectic LC ordering suggest that when domains of smectic LC layers nucleate and grow from isotropic at the LC/water interface as chloroform slowly evaporates at room temperature,phospholipids transition from liquid-expanded to liquid-condensed phases in response to the smectic ordering,which induces a higher surface tension at the interface.The results will provide an important insight into the interactions between liquid crystals and amphiphilic molecules at the interface.
文摘A gravity droplet crossing a liquid-liquid interface is covered on the forefront with a film of the leaving liquid phase. The film thickness is not homogeneous over the droplet surface, and it reduces as the droplet penetrates the interface, particularly in the stretched area where it then ruptures. An expression for the film thickness in the stretched region is deduced from a force balance. The film rupture is expected to occur at a droplet position when the normal stress in the stretched film reaches the tensile strength of the liquid. By using some experimental data from literature the expression delivers 26 nm for the film thickness at rupture, while Burrill and Woods [1] obtained experimentally values between 30 nm and 50 nm.
文摘通过建立三维数学模型,采用有限体积(Volume of Fluid,VOF)耦合界面追踪法(Level-Set)的两相流界面追踪法(Coupled Level-Set and Volume of Fluid,CLSVOF),模拟We=266的水滴撞击干燥球面,对撞击后的水滴形态以及内部压力进行分析。研究结果表明,水滴撞击球面经历了铺展-回缩-附着的过程。当水滴撞击到球面0.1ms后,最大压力从液膜最外侧逐渐向液膜中心移动;当液膜产生“冠指”时,最大压力再次转移到液膜最外侧;在回缩过程中,最大压力所处的位置逐渐向液膜中心移动,并在30.0ms时,再次回到液膜中心。此后,最大压力的相对位置保持不变,持续到稳定状态。
