Hindawi Publishing Corporation Advances in Mechanical Engineering Volume 2014, Article ID 326059, 12 pages http://dx.doi.org/10.1155/2014/326059 Research Article Investigation on Deformation of an Evaporating Droplet in Convective Transcritical Environments Shichun Yang, Yanfei Gao, Yaoguang Cao, Yue Gu, and Zhuoran Gong School of Transportation Science and Engineering, Beihang University, Beijing 100191, China Correspondence should be addressed to Yanfei Gao; [email protected] Received 18 October 2013; Revised 4 March 2014; Accepted 4 March 2014; Published 22 April 2014 Academic Editor: Junwu Wang Copyright © 2014 Shichun Yang et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. An investigation of the dynamic deformation for an individual droplet under convective transcritical conditions is conducted with a developed deformation model. This model takes account of gas solubility in liquid phase, variable thermophysical properties, the effective conductivity accounting for convective heat and mass transfer and liquid phase internal circulation, and the disappearance of surface tension at the critical mixing point. The results show that (1) at higher ambient pressures, surface tension decreases more smoothly with the reduction of fuel mole fraction but more rapidly with the droplet surface temperature; (2) as time elapses, the drop is continuously oscillating, together with the decreasing oscillation amplitude; (3) at high ambient pressures and temperatures the maximum drop deformation occurs in the late stage of the evaporation process, while at low pressures and temperatures, it occurs in the initial stage. In addition, the drop deformation and Weber number are initially quite insensitive to the ambient temperature. 1. Introduction In the power systems such as aircraft jet engines, diesel engines, and direct injection gasoline (GDI) engines, the injected fuel enters the combustion chamber as a spray of droplets, which then undergo a sequence of physical processes, including deformation, breakup, evaporation, and mixing with air. In the fuel-air mixing process, the drop deformation induced by the aerodynamic force caused by the relative motion between droplet and gas has a significant effect on the drop evaporation and breakup yielding increased surface area, which control the mixture preparation and thus have a strong influence on combustion, performance, and fuel consumption of engines. Generally, the temperatures and pressures in the combustion chambers can reach nearor supercritical values of the fuels. Therefore, it is required to fully understand the deformation characteristics of an evaporating droplet at transcritical and convective conditions [1, 2]. Several investigations on fuel injection and air-fuel mixing under subcritical or supercritical conditions have been presented in published literature. As the chamber pressures approach the critical pressures of the fuels, the atomization and fuel-air mixture formation exhibit a great sensitivity to pressures, temperatures, and local mixture concentrations. Tavlarides and Anitescu [3] found that injecting fuels near the supercritical region or supercritical fuel mixtures into the engine cylinders has been suggested as one way to increase engine efficiency and decrease emissions. Preheating the diesel upon injection provides better fuel-air mixing when this process is operated at the temperatures near the critical region. Segal and Polikhov [4] investigated the effects of the ambient pressure and temperature on the jet breakup. At subcritical conditions, the gas inertia and surface tension forces play dominant roles in the formation of ligaments from which the materials break off and the drops form later, but, at transcritical conditions, reduced surface tension has a significant impact on the jet surface behavior. According to Polikhov and Segal [5], in the transcritical and supercritical regimes, the diffusion rate of oxygen into acetone is two orders of magnitude faster than that at low ambient pressures. Yin and Lu [6] studied the influence of the injection temperature on the flow evolution. It was concluded that, for supercritical injection temperatures, the jet surface is more unstable when the instability waves grow up, but, for subcritical injection temperatures, the jet surface is nearly straight with the strong density stratification which suppresses the instability wave development. Rachedi et al. [7] compared the 2 behaviors of a hydrocarbon and CO2 supercritical fluid jets. They found that their behaviors are similar in most respects: the jet swirl number has a significant effect on cone angle, while the density ratio has a minor influence on it. Kim et al. [8] conducted a computational analysis of four cryogen nitrogen jets at near-critical and supercritical pressures with their CFD code incorporated with two real fluid equations of state and dense-fluid correction schemes. Roy et al. [9] found that when a supercritical jet is injected into a subcritical environment at relatively low chamber temperatures, the droplet deformation occurs downstream beyond a 10 jet diameters distance from the nozzle. However, although Weckenmann [10] and Oldenhof et al. [11] investigated free falling droplets experimentally at nearcritical conditions, which were injected in a heated and pressurized nitrogen atmosphere, most of the existing research down to the level of the fundamental element of spray (i.e., an isolated droplet) concentrates on the droplet evaporation [12–14], and little work has been done on the droplet deformation and breakup mechanisms at transcritical and convective conditions. Several numerical methods, such as the TAB and DDB models, and experimental investigations have been presented in the published literature, involving drop breakup in a high speed air stream, isolated droplet deformation, droplet dynamics, and so forth, which are studied for atmospheric conditions far below the critical points of the fuels [15–17]. The TAB model is widely used to describe the secondary breakup of hollow-cone gasoline sprays in the case of low Weber number and the vibrational regime (slower droplets, usually at the periphery of the spray) [18–20]. In addition, in the case of high Weber number, the droplets undergo high distortion in many applications such as in diesel sprays and the drag coefficient changes as a droplet departs from the spherical shape. The distortion of a droplet can be calculated from the TAB model to account for this [21]. Shim et al. utilized a modified TAB model in comparison with experimental results to investigate the atomization characteristics of high pressure swirl spray [22]. Consequently, the TAB model was employed as part of the numerical model in this work concerning the drop deformation. The main idea of this study is to develop a dynamic deformation model for an isolated droplet in transcritical and convective environments and to obtain a deeper understanding of the deformation and breakup physics under extreme conditions. This model considers the behavior of real gases and high pressure effects, including solubility of ambient gas in the liquid phase and variable thermophysical properties for both liquid and gas phases as functions of pressure, composition, and temperature. It also takes account of the disappearance of surface tension at the critical mixing point and the spatial gradients of thermophysical properties inside the liquid phase domain. In addition, the effective conductivity is used to account for heat and mass transfer in the gaseous boundary layer around the droplet, which also considers liquid phase internal circulation. The influences of ambient conditions on surface tension and droplet deformation were investigated with the developed model. Advances in Mechanical Engineering x Evaporation (−dm/dt) urel Convection Droplet rs Nitrogen dissolution Effective conductivity Gaseous film region Figure 1: Schematic diagram of the droplet deformation and evaporation model. 2. Mathematical Model A schematic description of the developed numerical model for the deformation of an evaporating droplet is shown in Figure 1. In the figure, 𝑟𝑠 is droplet radius, 𝑢rel represents the relative velocity between droplet and surrounding gas, 𝑥 is the displacement of the droplet’s equator from its equilibrium position, 𝑚 represents droplet mass, and 𝑡 is time. During the deformation process, the droplet has a shape of an oblate spheroid with ellipsoidal cross section, while it is assumed to be spherically symmetric, having the same volume, during evaporation. Pressure remains independent of time and space due to low flow velocity in comparison with the acoustic wave, and the radiation is negligible. The physical problem described here is the deformation of an isolated evaporating droplet which is initially at a subcritical state and suddenly introduced into a warmer convective gaseous environment with its thermodynamics state approaching the critical point. In the vicinity of the critical point, the thermophysical properties of both gases and liquids usually exhibit anomalous variations and are extremely sensitive to pressure and temperature, yielding a phenomenon commonly referred to as near-critical enhancement. The fluid characteristics are similar to those of both liquids and gases, such as gas-like properties but liquid-like densities [4]. As one is approaching the critical point, the densities of both liquid and gas phases become approximately equal. The molecule net attraction in the interface region toward the dense phase is close to zero, namely, the metastable surface [23]. In particular, the surface tension reaches zero and droplets can no longer form at the critical point. In addition, many phenomena coexist near-critical point, including rapid decrease of vaporization enthalpy, thermophysical property singularities, and strengthened dissolution of gas phase in liquid phase. Due to the latter factor, the critical point of the mixture can change dynamically depending upon the mixture properties, potentially influencing the interface between liquid and gas phases. In addition to significant decrease of liquid-gas density ratios, weakened surface tension at Advances in Mechanical Engineering 3 the liquid interface can lead to further enhanced aerodynamic interactions induced by the relative velocity between droplet and surrounding gas. All the above factors can significantly influence the drop deformation, breakup, and evaporation. As a specific example, the deformation and breakup of an isolated acetone droplet in a transcritical and convective nitrogen environment were studied. Acetone is used as the working fluid on account of existing data, which has a critical temperature 𝑇𝑐 of 508 K and a critical pressure 𝑃𝑐 of 4.8 MPa. 2.1. Governing Equations. This model considers real fluid behavior of both liquid and gas phases, the temporal variation and nonuniform distribution of thermophysical properties, high pressure effects, and solubility of inert species into the liquid phase, where radiation heat transfer is neglected. Ambient gas is assumed to be dissolved only in a very thin layer of the gas-liquid interface and thus diffusion of gas into the liquid interior is ignored. The effective conductivity is used to deal with convective heat and mass transfer in the gaseous boundary layer around the droplet, based on effective film method, which takes account of liquid phase internal circulation [24]. Energy conservation inside the droplet: 𝐶𝑝 𝜕𝑇 𝜕𝑇 1 𝜕 − (𝑟2 𝜆 ) = 0. 𝜕𝑡 𝜌𝑟2 𝜕𝑟 𝜕𝑟 (1) of ambient gas divided by the total mass rate of the liquid component at droplet surface can be expressed as follows: 𝜌𝑔,sf ⋅ (1 − 𝑌F,sf ) ⋅ 𝑑𝑉𝑠 /𝑑𝑡 𝑊N . = − 𝑉 𝑊F sf 𝑑 (∫ 𝑠 𝜌 𝑑𝑉) /𝑑𝑡 The corrected mass and heat transfer coefficient in (3) and (4) are calculated by ℎ𝑔∗ = ℎ𝑔 ⋅ 3.02514 × 10−3 { { , 2.685 + { { (1.9868 × 10−3 + 𝐷FN 𝑡/𝑟𝑠2 ) { { { { 𝐷 𝑡 𝑘𝑒 = 𝜆 𝑙 ⋅ { < 1, 0.0004 ≤ FN { 𝑟𝑠2 { { { { 𝐷FN 𝑡 {2.685, { . 𝑟𝑠2 ≥ 1 { (𝐻𝑔,sf − 𝐻𝑙,sf ) 𝑑𝑚 𝜕𝑇 + [ℎ𝑔∗ (𝑇∞ − 𝑇sf )] . = 𝜕𝑟 sf 4𝜋 ⋅ 𝑟𝑠2 𝑑𝑡 Nu = 2 + 𝑌F,sf − 𝑌F,∞ 𝑑𝑚 ∗ ⋅ . = 4𝜋 ⋅ 𝑟𝑠2 ⋅ 𝐾FN 𝑊F = − 𝑑𝑡 1 − (1 + 𝑊N /𝑊F sf ) 𝑌F,sf 𝜆 𝑔 Nu 2𝑟𝑠 , 0.555Re1/2 Pr1/3 √1 + 1.232/RePr4/3 2𝜌𝑔 𝑢rel 𝑟𝑠 Re = 𝜇𝑔 (3) Pr = Species conservation: (7) Heat transfer coefficient ℎ𝑔 for the gas mixture is expressed as Liquid-gas phase energy balance: 𝑘𝑒 ⋅ (6) and the effective thermal conductivity 𝑘𝑒 is estimated according to Jin and Borman [24]: ℎ𝑔 = (2) 𝑍𝑇 , 𝑒𝑍𝑇 − 1 𝑍 = 𝐾FN ⋅ 𝑍 𝑚 , 𝑒 𝑚 −1 ∗ 𝐾FN Continuity equation for liquid phase: 𝜕𝜌 1 𝜕 2 + (𝑟 𝜌𝑢) = 0. 𝜕𝑡 𝑟2 𝜕𝑟 (5) 0 Cp𝑔 𝜇𝑔 𝜆𝑔 , (8) , . Mass transfer coefficient 𝐾FN for the gas mixture is calculated by the following equations: (4) In the above expressions, 𝑇 stands for temperature, 𝑟 stands for the radial distance relative to droplet center, 𝑢 is the radial velocity inside the droplet relative to droplet center, 𝜌 represents density, 𝐶𝑝 is the constant pressure heat capacity, 𝜆 indicates thermal conductivity, 𝑘𝑒 indicates the effective thermal conductivity, 𝐻 represents enthalpy, ℎ𝑔∗ and ∗ 𝐾FN are corrected heat transfer coefficient of gas mixture and corrected mass transfer coefficient, 𝑊 is mass flow rate, 𝑌 is mass fraction in gas phase, subscripts F and N indicate fuel and nitrogen components, subscripts 𝑔 and 𝑙 are gas and liquid phases, and subscripts ∞ and sf represent infinite boundary and drop surface, respectively. Nitrogen dissolution in the liquid phase is assumed to be negligible in the droplet mass calculation. The mass rate 𝐾FN = Sh = 2 + 𝜌𝑔 𝐷FN Sh 2𝑟2 , 0.555Re1/2 Sc1/3 √1 + 1.232/ReSc4/3 Sc = 𝜇𝑔 (𝜌𝑔 𝐷FN ) (9) , (10) . (11) Parameters 𝑍𝑚 and 𝑍𝑇 are determined by 𝑍𝑚 = ( 1 + 𝑍𝑇 = 𝑊N 𝑊𝐹 , )⋅ 𝑊F sf 2𝜋 ⋅ 𝑟𝑠 ⋅ Sh ⋅ 𝜌𝑔 ⋅ 𝐷FN 𝑊F (CpF,𝑔 + 𝑊N /𝑊F sf ⋅ CpN,𝑔 ) 4𝜋 ⋅ 𝑟𝑠2 ℎ𝑔 , (12) (13) 4 Advances in Mechanical Engineering where 𝑉𝑠 represents droplet volume, 𝑉 represents volume, ℎ is heat transfer coefficient, 𝐾FN indicates mass transfer coefficient, 𝑍𝑇 and 𝑍𝑚 are correction factors of heat transfer for high transfer rates, 𝐷FN is mass diffusivity, Nu indicates Nusselt number, Re indicates Reynolds number, Pr represents Prandtl number, 𝜇 represents viscosity, Sh is Sherwood number, and Sc stands for Schmidt number. As expressed by (12), the evaporation rate 𝑊F (𝑊F = −𝑑𝑚/𝑑𝑡) is proportional to Sherwood number Sh, and according to (10) Sh increases with Reynolds number Re. Consequently, it is clear that the droplet evaporation is enhanced as speed 𝑢rel of the drop increases, because Re is directly proportional to 𝑢rel . where 𝑇𝑐,mix is temperature of the mixture at the critical point and Constant 𝐾 is taken as 57.193 to match experimental results [26] with theory. At the critical point, both liquid phase and vapor-phase mass fractions of the fuel component at drop surface are equal. Surface tension and enthalpy of vaporization decrease to zero and the droplet surface disappears. For a binary mixture composed of pure fuel and nitrogen, the critical mixing point can be determined by [27] ( ( Mass conservation of droplet: 4𝜋𝑟𝑠3 𝑑𝜌𝑙 𝑑𝑟 𝑑𝑚 = 4𝜋 ⋅ 𝑟𝑠2 ⋅ 𝜌𝑙 𝑠 + ⋅ . 𝑑𝑡 𝑑𝑡 3 𝑑𝑡 Droplet deformation. The TAB model is widely adopted to predict the secondary breakup and drop deformation of hollow-cone gasoline sprays at low Weber numbers and those of the periphery of engine sprays (i.e., low-speed droplets) [18–20]. Additionally, the TAB model can also be used to describe the droplet deformation and drag coefficient [21] in the case of high Weber number. Thus, the TAB model [25] is adopted in the present investigation: (16) Model constant 𝐶𝑏 is 0.5 and 𝐶𝑑 is 5.0. Constants 𝐶F and 𝐶𝑘 will be given shortly in Section 3.1. In Figure 1, 𝑥 is the displacement of the mass from the idle state and 𝑦 (𝑦 = 𝑥/𝐶𝑏 /𝑟𝑠 ) is the dimensionless droplet deformation. If (16) is solved for the droplet, breakup is allowed to occur for 𝑦 > 1 [25]. The liquid-gas relative velocity 𝑢rel is calculated by [15] 𝜌𝑙 𝑉𝑠 2 𝜌𝑔 𝑢rel 𝑑𝑢rel = 𝐶𝐷𝐴 𝑓 , 𝑑𝑡 2 (17) where the initial velocity 𝑢rel |𝑡=0 is assumed to be zero. In the above equations, 𝑃 represents pressure, 𝜌𝑙 is the average droplet density, 𝐶𝐷 indicates the drop drag coefficient, 𝐴 𝑓 indicates the frontal area, and 𝜎𝑚 is the mixture surface tension. Thermodynamic Properties. In order to describe real fluid behavior, high pressure effects, and phase equilibrium for vapor and liquid mixtures, Peng-Robinson equation of state (EOS) is adopted and can be expressed by 𝑃= 𝑎𝑚 𝑅𝑇 − , V − 𝑏𝑚 V (V + 𝑏𝑚 ) + 𝑏𝑚 (V − 𝑏𝑚 ) Surface Tension and Critical Mixing Point. The mixture surface tension can be expressed as 𝑇 𝑇𝑐,mix ), (18) (20) where 𝑎𝑚 and 𝑏𝑚 are the EOS parameters of the mixture and can be calculated from the pure component parameters of the EOS with the quadratic van der Waals one-fluid mixing rule. V stands for molar volume and 𝑅 is universal gas constant. For the acetone-nitrogen binary system, the binary interaction coefficient of nitrogen and acetone is an adjustable binary parameter and is taken as 0.2086 to correlate experimental data in [28]. Peng-Robinson EOS above can be used to obtain the specific enthalpy, constant pressure heat capacity, fugacity coefficients, and so forth. Other Physical Properties. The low pressure estimation model proposed by Chung et al. for thermal conductivities of pure components is modified with Chung et al. rules to calculate the thermal conductivity at high pressures. The liquid viscosity is estimated via the corrected method of Chung et al. accounting for high pressure and density effects [29]. The diffusion coefficient for binary gas systems is obtained from Wilke and Lee method, which adopts high pressure corrections of Takahashi method [30]. Thermodynamic properties of the gaseous mixture such as 𝜇𝑔 and 𝑘𝑔 are evaluated with 1/3 rule [31] from the average concentration and the average temperature, which are expressed as follows: 𝑇𝑔 = 𝑇sf + 2.2. Thermophysical Properties 𝜎𝑚 = 𝐾 ⋅ (1 − (19) where 𝑓̃ represents fugacity, 𝜑̃ is fugacity coefficient, and 𝑋 is molar fraction. (15) 2 𝐶 𝜇 𝑑𝑦 𝑑2 𝑦 𝐶F 𝜌𝑔 𝑢rel 𝐶𝑘 𝜎𝑚 = − 𝑦 − 𝑑 2𝑙 . 𝑑𝑡2 𝐶𝑏 𝜌𝑙 𝑟𝑠2 𝜌𝑙 𝑟𝑠3 𝜌𝑙 𝑟𝑠 𝑑𝑡 𝜕2 ln 𝑓̃F ) = 0, 𝜕𝑋F2 𝑃,𝑇 𝑓̃F = 𝑃𝑋F 𝜑̃F , (14) Momentum conservation: 𝑃 = 𝑃∞ . 𝜕 ln 𝑓̃F ) = 0, 𝜕𝑋F 𝑃,𝑇 𝑇∞ − 𝑇sf , 3 𝑋F,∞ − 𝑋F,sf 2 𝑋𝑔 = 𝑋F,sf + = 𝑋F,sf , 3 3 (21) where 𝑇 is average temperature and 𝑋 is average molar fraction. Advances in Mechanical Engineering 5 Table 1: Simulation conditions corresponding to experimental data. Case Case Case Case 0 1 2 3 𝑃ch (MPa) 2 4 6 6 𝑇ch (K) 293 293 293 376 𝑇inj (K) 293 293 293 376 𝐷0 (mm) 1.99 1.95 1.94 1.65 2.3. Boundary Conditions. All the variables are assumed to remain at their initial values at the infinite boundary, and the temperature gradient is assumed to be zero at the drop center. The vapor-liquid equilibrium is satisfied at the drop surface: 𝜑̃F,𝑔 𝑋F,𝑔 = 𝜑̃F,𝑙 𝑋F,𝑙 . 𝜑̃N,𝑔 𝑋N,𝑔 = 𝜑̃N,𝑙 𝑋N,𝑙 . (22) 2.4. Numerical Scheme. An efficient numerical algorism utilizing iterative method is needed in order to solve the governing equations for liquid phase, liquid-gas interface, and gas phase. A central difference scheme is used for liquid phase energy conservation and a fully implicit scheme is adopted for transient solution. A second-order one-sided difference is used with a nonuniform grid system at the liquid-gas interface, considering extremely high gradients of thermophysical properties near the droplet surface. In this work, the numerical solution method is illustrated as follows: (1) at each time step, calculate the droplet evaporation firstly, where the drop is assumed to be spherically symmetric concerning the combined calculation of heat and mass transfer processes; (2) then resolve the droplet deformation and oscillation in this time step, where the spatial distribution of the physical properties for both liquid and gas is assumed to be unchanged. By comparing numerical results obtained at different time steps of integration, it was found out that the temporal variations of droplet deformation and evaporation rate and so forth exhibit very little difference when dimensionless time steps are smaller than 1 × 10−4 . Thus, the dimensionless time step is taken to be 1 × 10−4 . 3. Results and Discussion 3.1. Verification of the Model. The deformation of a free falling acetone droplet in a nitrogen atmosphere at elevated pressures and/or temperatures was predicted, where the nitrogen gas is assumed to be stagnant and the initial 𝑦|𝑡=0 is obtained from the experimental results. The variation curves of droplet deformation 𝑦 and liquid-gas relative velocity for cases in Table 1 are shown in Figure 2. The drop diameter is obtained from that of a spherical droplet having same volume as the distorting droplet. 𝑇inj is initial droplet temperature, 𝐷0 is initial droplet diameter, and 𝑃ch and 𝑇ch are ambient pressure and temperature, respectively. Dimensionless constants 𝐶F and 𝐶𝑘 in (16) can be determined by comparing with experimental and theoretical results [22, 25], which have been chosen to be 2.0 and 1.4 according to the experimental data for Case 0 (see Figure 2(a)). With the determined constants, Figures 2(b)–2(d) show the comparisons between numerical results calculated by the developed deformation model and experimental data under the other three conditions (Case 1, Case 2, and Case 3). From Figures 2(b)–2(d), it can be seen that the simulation results agree well with the experimental results, which convincingly proves that the proposed model is effective for different extreme conditions. 3.2. Critical Mixing Point Calculated. A key fluid characteristic yielding the disappearance or appearance of liquid/gas interface is the critical mixing point. Figure 3 presents the critical molar fraction 𝑌cbs of acetone and the reduced critical temperature 𝑇cr (𝑇cr = 𝑇cbs /𝑇𝑐 ) for an acetone-nitrogen system with the reduced ambient pressure 𝑃𝑟 (𝑃𝑟 = 𝑃/𝑃𝑐 ) ranging from 0.02 to 2.8, where 𝑇cbs is the critical mixing temperature and 𝑇𝑐 and 𝑃𝑐 are the critical temperature and the critical pressure of acetone, respectively. The dotted line is the reduced boiling point 𝑇br (𝑇br = 𝑇𝑏 /𝑇𝑐 ) for 𝑃𝑟 below 1.0, where 𝑇𝑏 is the boiling point of acetone. It can be seen that 𝑌cbs decreases sensitively with 𝑃𝑟 except for 𝑃𝑟 less than 1.0. In particular, 𝑌cbs attains a reduction of approximately 29% at 𝑃𝑟 = 2.75. As shown in this figure, the variation curve of 𝑇cr is similar to that of 𝑌cbs , but 𝑇cr changes more smoothly, with a decrease of about 3% at 𝑃𝑟 = 2.75. It shows that the component fraction 𝑌cbs should have much more influence on physical properties such as surface tension when elevating ambient pressures. The predictions also show that, at 𝑃𝑟 less than 1.0, 𝑌cbs reaches the value of approximately 1.0, which implies that the component fraction has almost no influence on the critical parameters. In this case, 𝑇br describes boiling point of pure acetone instead of critical mixing temperature 𝑇cr , which increases with ambient pressure. Thus, 𝑇cr is taken to be 1.0 for surface tension calculation. 3.3. Surface Tension Calculated. The effects of liquid phase molar fraction 𝑋sf,𝑙 of acetone at droplet surface on surface tension, at various ambient pressures, are presented in Figure 4. As shown in the figure, surface tension at low pressures decreases with the reduction of 𝑋sf,𝑙 . This is because more nitrogen which has lower surface tension compared with acetone is dissolved in the droplet surface as 𝑋sf,𝑙 decreases, yielding reduction in surface tension of the liquid mixture. The figure also shows that surface tension varies more smoothly at higher ambient pressures. This is because the critical mixing temperature decreases with pressure and a droplet may reach the critical mixing point more easily at higher pressures. Namely, the critical point can appear at a lower temperature, which corresponds to a smaller liquid phase molar fraction of acetone. However, surface tension remains approximately independent of 𝑋sf,𝑙 at very low pressures, especially when 𝑃𝑟 is lower than 0.2. This is because 𝑋sf,𝑙 is approximately equal to 1.0 in this case, indicating that the droplet behaves as a single component droplet, which is different from results at high pressures (see Figure 3). Figure 5 shows the influence of ambient pressures and droplet surface temperatures (𝑇sf /𝑇𝑐 ) on surface tension. Surface tension decreases with the droplet surface temperature, 6 Advances in Mechanical Engineering 0.4 0.6 0.6 0.3 0.5 0.2 0.4 0.1 0.3 0.0 0.2 0.1 −0.1 0.1 0.0 −0.2 0.2 0.5 0.1 0.4 0.0 0.3 0.2 −0.1 −0.2 20 40 60 80 100 Time (ms) Adjusted y according to experimental data urel predicted y measured urel measured 0 20 40 0.4 0.3 0.5 0.3 0.2 0.4 0.2 0.3 0.1 0.2 0.1 0.0 0.0 −0.1 −0.1 60 Time (ms) 80 100 0.2 0.1 0.1 0.0 0.0 −0.1 −0.1 −0.2 −0.3 −0.2 0 5 10 15 20 25 30 35 Time (ms) urel predicted urel measured y predicted y measured Droplet deformation 0.6 Relative velocity (m/s) Droplet deformation 0.3 40 0.0 100 (b) Case 1 0.4 20 80 urel predicted urel measured y predicted y measured (a) Case 0 0 60 Time (ms) Relative velocity (m/s) 0 Droplet deformation 0.7 Relative velocity (m/s) Droplet deformation 0.3 Relative velocity (m/s) 0.4 (c) Case 2 urel predicted urel measured y predicted y measured (d) Case 3 Figure 2: Comparison of numerical and experimental results. while the decrease in surface tension is more rapid in the case of higher ambient pressures. This is due to the fact that, as already mentioned above, it is easier for the drop to reach the critical mixing point at higher pressures. 3.4. Dynamic Droplet Deformation and Weber Number. Fig2 𝜌𝑐 Cpref /𝜆 ref )) ures 6, 7, 8, 9, and 10 show the time (𝑡/(𝑟𝑠0 histories of droplet deformation 𝑦 and Weber number We 2 (We = 𝜌𝑔 𝑢rel 𝑟𝑠 /𝜎𝑚 ) at various ambient pressures, where the values of 𝑢rel are set at 2, 5, 8, 30, and 100 m/s, respectively. 𝑟𝑠0 is the initial radius of the droplet, 𝜌𝑐 is the critical density of the fuel, and Cpref and 𝜆 ref are isobaric specific heat capacity and thermal conductivity of the fuel at 293 K and 0.1 MPa, respectively. 𝑇𝑟 (𝑇𝑟 = 𝑇amb /𝑇𝑐 ) stands for the reduced ambient temperature, where 𝑇amb is ambient temperature. The initial droplet diameter is 40 𝜇m, and ambient temperature and initial drop temperature are 508.1 K and 300 K, respectively. It is assumed that the droplet is spherical and does not oscillate initially; that is, the initial deformation 𝑦𝑡=0 and the initial oscillation (𝑑𝑦/𝑑𝑡)|𝑡 = 0 are set at zero. According to Figures 6–10, the variation curves of droplet deformation 𝑦 appear to be fluctuant, indicating that the drop is continuously oscillating as time elapses. It was found that the amplitude of the oscillation is gradually decreasing with time and becomes quite small during the late period. This is because the viscous damping time scale 𝑡𝑑 (𝑡𝑑 = 2𝜌𝑙 𝑟𝑠2 /(5𝜇𝑙 )) of the droplet decreases as time elapses, due to the reduction of the droplet diameter and average density, which is caused by heat and mass transfer between liquid and gas. As one can see from these figures, We rises with time initially, due to rapidly reduced surface tension caused by transient liquid heating, although the drop becomes smaller. And then, We falls rapidly with time, because the reduced droplet diameter plays more important role and surface tension varies more slowly due to approximatively steady heating. In addition, We increases when ambient pressures and 𝑢rel are elevated. The 7 1.05 1.00 1.00 0.95 0.95 0.90 0.90 0.85 0.85 0.80 0.80 0.75 0.75 0.70 0.70 0.65 0.65 0.60 0 1 2 3 30 25 0.60 Pr Surface tension (N/m) 1.05 Ycbs Tcr and Tbr Advances in Mechanical Engineering 20 15 10 5 0 0.5 Tbr Tcr Ycbs Figure 3: Critical temperature, critical acetone molar fraction, and boiling point as functions of pressure. 0.6 0.7 0.9 0.8 Dimensionless droplet surface temperature Pr = 0.02 Pr = 1.00 Pr = 1.52 1.0 Pr = 2.12 Pr = 2.72 Figure 5: Influence of droplet surface temperature on surface tension at different pressures. Surface tension (N/m) 30 25 20 15 10 5 0 0.75 0.80 0.85 0.90 0.95 1.00 Molar fraction of liquid acetone at droplet surface Pr = 0.02 Pr = 0.2 Pr = 1.0 Pr = 3.0 Figure 4: Influence of molar fraction of liquid acetone at droplet surface on surface tension at different pressures. peak deformation per oscillation cycle changes in a manner similar to Weber number, but it declines slightly and then rises in the initial stage. This implies that, during the early stage, 𝑡𝑑 has a more important influence than We on the drop deformation, while during the subsequent stage, We dominates the drop deformation. The oscillation frequency decreases slightly as ambient pressure is elevated, indicating that elevating pressure has a negative influence on droplet oscillation. As shown in Figures 6–10, the predicted droplet deformation increases apparently with 𝑢rel and ambient pressure due to Weber number enhancement. The droplet will be able to breakup (𝑦 > 1) at 𝑃𝑟 higher than 0.7 when 𝑢rel is faster than 8 m/s but will not able to breakup even at a high 𝑃𝑟 (𝑃𝑟 = 1.8) when 𝑢rel is slower than 2 m/s. However, at very high drop speeds such as 𝑢rel = 100 m/s, the TAB model is only capable of predicting the drop deformation instead of drop breakup as is mentioned above. In this case, the droplet breakup occurs at different levels of the droplet deformation. It was also found that, the maximum deformation occurs in the later stage for 𝑃𝑟 exceeding 1.0 but occurs in the initial stage for 𝑃𝑟 lower than 0.7. This result implies that thermophysical properties of both liquid and gas are quite sensitive to pressure variations at high pressures and temperatures, which yields a more rapid increase of Weber number. Additionally, the maximum deformation during the later stage appears approximately at the same dimensionless time under different conditions. This is due to the combined effects of the reduced droplet diameter and the variation of physical properties, such as surface tension and gas density. It can also be seen that the droplet breakup occurs in the first oscillation cycle for 𝑢rel faster than 8 m/s. In this case, the drop is rapidly broken up at the beginning, and it is almost not affected by the heat and mass transfer. Figures 11, 12, 13, 14, and 15 show the time histories of 𝑦 and We at various ambient temperatures, where the values of 𝑢rel are set at 2, 5, 8, 30, and 100 m/s, respectively. The reduced ambient pressure 𝑃𝑟 is 1.0, with other parameters having the same values as used in Figures 6–10. It was found that 𝑦 and We at various ambient temperatures are quite similar to those predicted at various pressures. 𝑦 and We seem to be unaffected by the ambient temperature initially, due to the fact that the physical properties of both liquid and gas are hardly affected by high heat and mass transfer rates during a very short period. With a constant pressure (𝑃𝑟 = 1.0), both 𝑦 and We vary more quickly at high ambient temperatures (e.g., 𝑇𝑟 = 1.8), and the peak deformation per oscillation cycle is rapidly increasing until its maximum is attained. Therefore, the results indicate that, for very high ambient 8 Advances in Mechanical Engineering 4.5 1.4 0.6 0.2 0.02 0.04 0.2 0.4 0.6 0.8 9.1 3.5 7.8 3.0 6.5 2.5 2.0 5.2 1.5 3.9 1.0 2.6 0.2 0.5 1.3 0.0 0.0 0.00 0.01 0.02 Dimensionless time 0.4 Figure 6: Temporal variations of droplet deformation and Weber number at different ambient pressures (𝑢rel = 2 m/s). 1.50 2.5 1.25 2.0 1.00 1.5 0.75 20 30 1.0 0.50 25 15 20 10 15 10 5 0.5 0.25 0.0 0.2 0.0 0.6 Figure 8: Temporal variations of droplet deformation and Weber number at different ambient pressures (𝑢rel = 8 m/s). Droplet deformation 3.0 We 1.75 0.00 0.00 0.01 0.02 0.03 0.04 0.5 Deformation y Pr = 0.7, Tr = 1.0 Deformation y Pr = 1.0, Tr = 1.0 Deformation y Pr = 1.8, Tr = 1.0 We Pr = 0.7, Tr = 1.0 We Pr = 1.0, Tr = 1.0 We Pr = 1.8, Tr = 1.0 Deformation y Pr = 0.7, Tr = 1.0 Deformation y Pr = 1.0, Tr = 1.0 Deformation y Pr = 1.8, Tr = 1.0 We Pr = 0.7, Tr = 1.0 We Pr = 1.0, Tr = 1.0 We Pr = 1.8, Tr = 1.0 Droplet deformation 0.1 0.2 0.3 Dimensionless time 0.4 0.6 0.8 Dimensionless time Deformation y Pr = 0.7, Tr = 1.0 Deformation y Pr = 1.0, Tr = 1.0 Deformation y Pr = 1.8, Tr = 1.0 We Pr = 0.7, Tr = 1.0 We Pr = 1.0, Tr = 1.0 We Pr = 1.8, Tr = 1.0 Figure 7: Temporal variations of droplet deformation and Weber number at different ambient pressures (𝑢rel = 5 m/s). temperatures, thermophysical properties of both the droplet and the gas exhibit a much greater sensitivity to changes in ambient temperatures. The droplet can break up at 𝑇𝑟 higher than 0.7 when 𝑢rel is faster than 8 m/s but cannot break up even at a very high ambient temperature (𝑇𝑟 = 1.8) when 𝑢rel is slower than 2 m/s. Also, the drop breakup, if possible, appears only in the first oscillation cycle. 3.5. Droplet Breakup. Considering that the TAB model is mainly used to predict the secondary breakup for low Weber We 0.0 0.00 0.4 Droplet deformation 0.8 We Droplet deformation 1.0 0.4 10.4 4.0 1.2 We 0.6 5 0 0.00 0.01 0.02 0.1 Dimensionless time 0.2 0 0.3 Deformation y Pr = 0.7, Tr = 1.0 Deformation y Pr = 1.0, Tr = 1.0 Deformation y Pr = 1.8, Tr = 1.0 We Pr = 0.7, Tr = 1.0 We Pr = 1.0, Tr = 1.0 We Pr = 1.8, Tr = 1.0 Figure 9: Temporal variations of droplet deformation and Weber number at different ambient pressures (𝑢rel = 30 m/s). numbers (in the bag-type breakup regime), the characteristics of droplet breakup for relatively low drop velocities are studied in this section. The simulation results indicate that the droplet breakup cannot occur if 𝑇𝑟 , 𝑃𝑟 , and/or 𝑢rel are relatively low. Figure 16 shows the minimum 𝑇𝑟 required for an acetone droplet to break up as a function of 𝑃𝑟 . 𝑢rel is set at 5, 8, and 30 m/s, respectively, and initial drop temperature is 300 K. With regard to the conditions below the curve, the droplet breakup cannot occur during the evaporation process at a specific 𝑢rel . On the contrary, the breakup can appear under conditions above the curve. In order to enable Advances in Mechanical Engineering 9 600 200 200 100 0.01 0.02 0.04 Dimensionless time 0 0.06 0.05 0.9 1.0 0.3 0.2 0.4 0.6 0.8 0.0 Dimensionless time Deformation y Pr = 1.0, Tr = 0.7 Deformation y Pr = 1.0, Tr = 1.0 Deformation y Pr = 1.0, Tr = 1.8 We Pr = 1.0, Tr = 0.7 We Pr = 1.0, Tr = 1.0 We Pr = 1.0, Tr = 1.8 0.32 0.96 3.0 0.80 2.5 0.48 0.16 0.32 0.08 0.16 0.00 0.00 0.00 0.6 0.8 We 0.64 0.24 Figure 12: Time evolution of droplet deformation and Weber number at different ambient temperatures (𝑢rel = 5 m/s). Deformation y Pr = 1.0, Tr = 0.7 Deformation y Pr = 1.0, Tr = 1.0 Deformation y Pr = 1.0, Tr = 1.8 We Pr = 1.0, Tr = 0.7 We Pr = 1.0, Tr = 1.0 We Pr = 1.0, Tr = 1.8 Figure 11: Time evolution of droplet deformation and Weber number at different ambient temperatures (𝑢rel = 2 m/s). the droplet breakup, the minimum 𝑇𝑟 decreases with 𝑃𝑟 . In addition, both the required 𝑇𝑟 and 𝑃𝑟 decrease when improving the drop velocity 𝑢rel . Ratios of the breakup time to droplet lifetime versus ambient pressure 𝑃𝑟 at various ambient temperatures 𝑇𝑟 are shown in Figure 17. 𝑢rel is equal to 5 m/s and initial drop temperature is 300 K. According to Figure 17, the ratio reduces as 𝑇𝑟 and 𝑃𝑟 increase. It shows that, in comparison with the evaporation process, the breakup occurs much earlier when increasing 𝑇𝑟 and 𝑃𝑟 , due to enhanced aerodynamic Droplet deformation 0.40 Droplet deformation 0.5 0.0 0.00 0.01 0.02 0.03 Figure 10: Temporal variations of droplet deformation and Weber number at different ambient pressures (𝑢rel = 100 m/s). 0.2 0.4 0.04 Dimensionless time 1.5 0.6 Deformation y Pr = 0.7, Tr = 1.0 Deformation y Pr = 1.0, Tr = 1.0 Deformation y Pr = 1.8, Tr = 1.0 We Pr = 0.7, Tr = 1.0 We Pr = 1.0, Tr = 1.0 We Pr = 1.8, Tr = 1.0 0.02 2.0 9 8 7 2.0 6 5 1.5 4 1.0 We 0 0.00 100 2.5 We 300 We 400 300 Droplet deformation 500 400 Droplet deformation 3.0 1.2 3 2 0.5 1 0.0 0.00 0.01 0.02 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 Dimensionless time 0 Deformation y Pr = 1.0, Tr = 0.7 Deformation y Pr = 1.0, Tr = 1.0 Deformation y Pr = 1.0, Tr = 1.8 We Pr = 1.0, Tr = 0.7 We Pr = 1.0, Tr = 1.0 We Pr = 1.0, Tr = 1.8 Figure 13: Time evolution of droplet deformation and Weber number at different ambient temperatures (𝑢rel = 8 m/s). interactions caused by anomalous variations of thermophysical properties. The drop will break up immediately at the beginning, when 𝑇𝑟 and 𝑃𝑟 are high enough. 4. Conclusion The dynamic deformation of an isolated droplet under convective transcritical conditions was studied numerically. The new deformation model was validated with the existing 10 Advances in Mechanical Engineering 12 15 8 10 5 0 0.00 0.01 0.02 0.1 0.2 Dimensionless time 0.3 0 0.4 350 500 300 400 250 300 We Droplet deformation 400 200 100 50 1.2 1.0 0.8 0.6 0.4 0.6 0.8 1.0 1.2 1.4 1.6 1.8 Figure 16: Minimum ambient temperature required for droplet breakup versus ambient pressure at 5, 8, and 30 m/s 𝑢rel , respectively. 0.25 0.20 0.15 0.10 0.05 0.00 0 0.00 0.01 0.02 0.2 0.30 600 100 1.4 urel 5 m/s urel 8 m/s urel 30 m/s Figure 14: Time evolution of droplet deformation and Weber number at different ambient temperatures (𝑢rel = 30 m/s). 150 1.6 Pr Deformation y Pr = 1.0, Tr = 0.7 Deformation y Pr = 1.0, Tr = 1.0 Deformation y Pr = 1.0, Tr = 1.8 We Pr = 1.0, Tr = 0.7 We Pr = 1.0, Tr = 1.0 We Pr = 1.0, Tr = 1.8 200 1.8 0.4 0.0 Ratio of breakup time to lifetime 4 Minimum Tr required for breakup 20 We Droplet deformation 2.0 25 16 0 0.04 0.05 0.06 0.07 0.08 0.09 0.10 Dimensionless time Deformation y Pr = 1.0, Tr = 0.7 Deformation y Pr = 1.0, Tr = 1.0 Deformation y Pr = 1.0, Tr = 1.8 We Pr = 1.0, Tr = 0.7 We Pr = 1.0, Tr = 1.0 We Pr = 1.0, Tr = 1.8 Figure 15: Time evolution of droplet deformation and Weber number at different ambient temperatures (𝑢rel = 100 m/s). experimental results. According to the numerical results, the following conclusions are drawn. (1) In the case of higher ambient pressures, the surface tension reduces more smoothly with the fuel mole fraction and more rapidly with the droplet surface temperature. (2) Weber number increases continuously in the initial period and then decreases rapidly. Also, the drop exhibits continuous oscillations as time elapses, with the accompanying amplitude reduction. 1.2 1.3 1.4 1.5 1.6 1.7 1.8 Pr Tr = 1.0 Tr = 1.2 Tr = 1.5 Figure 17: Ratio of droplet breakup time to lifetime versus ambient pressure at different ambient temperatures. (3) The ambient temperature has almost no influence on the drop deformation and Weber number initially. The maximum deformation occurs in the later stage for high pressure levels (e.g., 𝑃𝑟 exceeding 1.0) but occurs in the initial stage for low pressures (e.g., 𝑃𝑟 lower than 0.7). When the ambient pressure (𝑃𝑟 = 1.0) keeps constant, both 𝑦 and We change very rapidly at high temperatures (e.g., 𝑇𝑟 = 1.8), and the peak deformation per oscillation cycle is increasing continuously until its maximum is reached. (4) The minimum ambient temperature required for drop breakup decreases with the ambient pressure. In addition, both the required ambient temperatures and Advances in Mechanical Engineering pressures for breakup decrease when increasing the drop velocity. Nomenclature 𝑎𝑚 , 𝑏𝑚 : 𝐴 𝑓: 𝐶𝑏 , 𝐶𝑑 , 𝐶F , 𝐶𝑘 : 𝐶𝐷: Cp: Cpref : 𝐷0 : 𝐷FN : ̃ 𝑓: ℎ: ℎ𝑔∗ : 𝐻: 𝑘𝑒 : 𝐾: 𝐾FN : ∗ : 𝐾FN 𝑚: Nu: 𝑃: 𝑃𝑐 : 𝑃ch : 𝑃𝑟 : Pr: 𝑟: 𝑟𝑠 : 𝑟𝑠0 : 𝑅: Re: Sc: Sh: 𝑡: 𝑡𝑑 : 𝑇: 𝑇amb : 𝑇𝑏 : 𝑇br : 𝑇𝑐 : 𝑇cbs : 𝑇ch : 𝑇𝑐,mix : 𝑇cr : 𝑇inj : 𝑇𝑟 : 𝑇: 𝑢: 𝑢rel : EOS parameters Frontal area of drop (m2 ) Model constants of the TAB model Drop drag coefficient Constant pressure heat capacity (J/(kg⋅K)) Constant pressure heat capacity of the fuel at 293 K and 0.1 MPa (J/(kg⋅K)) Initial droplet diameter (m) Mass diffusivity (m2 /s) Fugacity (Pa) Heat transfer coefficient (W/(m2 ⋅K)) Corrected heat transfer coefficient of gas (W/(m2 ⋅K)) Enthalpy (J/kg) Effective thermal conductivity (W/(m⋅K)) Constant Mass transfer coefficient (kg/(m2 ⋅s)) Corrected mass transfer coefficient (kg/(m2 ⋅s)) Droplet mass (kg) Nusselt number Pressure (Pa) Critical pressure of the fuel (Pa) Ambient pressure (Pa) Reduced ambient pressure Prandtl number Radial distance relative to droplet center (m) Droplet radius (m) Initial radius of droplet (m) Universal gas constant (J/(moL⋅K)) Reynolds number Schmidt number Sherwood number Time (s) Viscous damping time scale Temperature (K) Ambient temperature (K) Boiling point of acetone (K) Reduced boiling point Critical temperature of the fuel (K) Critical mixing temperature (K) Ambient temperature (K) Mixture temperature at the critical point (K) Reduced critical temperature Initial droplet temperature (K) Reduced ambient temperature Average temperature (K) Radial velocity inside droplet relative to droplet center (m/s) Relative velocity between droplet and gas (m/s) 11 Molar volume (m3 /mol) Volume (m3 ) Droplet volume (m3 ) Mass flow rate (kg/s) Weber number Displacement of the mass from the idle state (m) 𝑋: Molar fraction 𝑋: Average molar fraction 𝑦: Dimensionless droplet deformation 𝑌: Mass fraction in gas phase Critical molar fraction of the fuel 𝑌cbs : 𝑍𝑇 , 𝑍𝑚 : Correction factors of heat transfer for high transfer rates. V: 𝑉: 𝑉𝑠 : 𝑊: We: 𝑥: Greek Letters Density (kg/m3 ) Critical density of the fuel (kg/m3 ) Average droplet density (kg/m3 ) Thermal conductivity (W/(m⋅K)) Thermal conductivity of the fuel at 293 K and 0.1 MPa (W/(m⋅K)) 𝜇: Viscosity (Pa⋅s) 𝜎𝑚 : Mixture surface tension (N/m) ̃ Fugacity coefficient. 𝜑: 𝜌: 𝜌𝑐 : 𝜌𝑙 : 𝜆: 𝜆 ref : Subscripts F: 𝑔: 𝑙: N: sf: ∞: Fuel component Gas phase Liquid phase Nitrogen component Drop surface Infinite boundary. Conflict of Interests The authors declare that there is no conflict of interests regarding the publication of this paper. Acknowledgment This work was supported by the Beijing Natural Science Foundation (3132021) and the National Natural Science Foundation of China (50606014). References [1] Y. S. Chen, X. W. Shan, and H. D. Chen, “New direction of computational fluid dynamics and its applications in industry,” Science in China E: Technological Sciences, vol. 50, no. 5, pp. 521– 533, 2007. [2] P. J. Kay, P. J. Bowen, M. 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