HỘI NGHỊ KHOA HỌC & CÔNG NGHỆ TRẺ BÁCH KHOA 2023 1
SVPFIEV-2023-KTGT-03
Numerical investigation of electrospray cone-
jet mode characteristic dependence on electrode configuration Nguyen Vu Nhat Minh, Chau Thien Thuan, Nguyen Thi Khanh Ly, Dang Anh Phuong, and Ngo Khanh Hieu
Abstract—Electrospray, also known as Cone-jet mode is an operational mode in
Electrohydrodynamic Atomization (EHDA), is a electrospray. When a small volume of electrically process where aerosols are generated by applying a conductive liquid is exposed to an electric field, high voltage to a liquid. The process involves the the shape of liquid starts to deform. When this deformation of the liquid's surface into a cone shape when exposed to a strong electric field, resulting in effect of the electric field begins to exert a force on the formation of a jet that breaks up into charged the droplet is identical to the surface tension does, droplets of micro or nanoscale. This complex a cone shape begins to form with convex sides and physical process has diverse applications, including a rounded tip. This approaches the shape of a cone drug delivery, 3-D printing, and the design of space with a whole angle (width) of 98.6° [1]. For the thrusters, due to its affordability, high efficiency, and formation of a consistent cone-jet, it is necessary controllability over other methods. The electrospray's operational regime is adjustable to utilize a voltage that is marginally above the through various parameters like voltage, flow rate of minimum required level. The rate at which the the liquid, and the distance of spraying, with the liquid is fed into the system for a consistent cone- single cone-jet mode being preferred for its stability, jet is determined by the electrode’s configurations, manageability, and superior production rate. The interelectrode distance and the liquid’s properties. study presented in the article examines the dynamics Electrospray techniques often prefer the cone-jet of the cone-jet mode in two distinct setups through numerical analysis with OpenFOAM. It employs a mode because it produces droplets of uniform size solver derived from the Taylor-Melcher leaky- reliably and steadily. Owing to these qualities, the dielectric model, which is integrated with the VOF cone-jet mode finds utility in a range of technique for tracking interfaces, to conduct the applications, including mass spectrometry for the simulations. The research reveals that the design of study of biological molecules, targeted drug the electrode configurations influences the delivery systems for conditions like asthma and enhancement of the electric field and the pattern of liquid deposition. cancer, colloid thrusters that generate propulsion Keywords: Electrospray, electrode configurations, by the electrostatic acceleration of charged liquid CFD, OpenFOAM, cone-jet. droplets, and electronic jet printing technologies [2,3,4]. I. INTRODUCTION The phenomenon of electrospray was first noted by William Gilbert in the 17th century [5]. E LECTROSPRAY is a method that employs electrohydrodynamic principles, where an electric field influences the movement of fluids. Subsequent in-depth investigations have been documented, notably in Rayleigh's paper [6], This technique involves applying a high voltage to Zeleny's research [7], and Taylor and Melcher's a liquid that is emitted through a narrow tube. By work [1,8], which detailed the manipulating the liquid's surface, it can be finely electrohydrodynamic event's essential stretched until it separates into tiny droplets, much experimental and theoretical characteristics. Taylor smaller than the nozzle's opening. Electrospray and Melcher also proposed the leaky-dielectric operates in various modes such as micro-dripping, mathematical model to elucidate the connection spindle, cone-jet, and multi-jet. Operating modes between the physical elements involved and to are determined by several factors including the estimate the force impacting the liquid's surface. voltage level, flow rate, configuration of Hayati et al. [9] outlined the various spraying electrodes, and the liquid's properties. methods, while Jaworek [10] categorized them. HỘI NGHỊ KHOA HỌC & CÔNG NGHỆ TRẺ BÁCH KHOA 2023 2 The cone-jet mode was initially identified by Sir conservation of mass and the laws of motion: Geoffrey Ingram Taylor in 1964 [1]. Experiments by Cloupeau and Prunet-Foch [11] established + .( u) = 0, (1) electrical and fluidic parameters needed for t u consistent cone-jet formation in specific liquids. In + (u.)u = −p + 2u + f + fe + g, 1999, Noymer and Garel [12] examined the t stability and atomization qualities of cone-jets, (2) while Hartman [13] focused on the break-up where ρ is fluid density, t is time, u the fluid patterns of jets within the cone-jet electrospray velocity, p is the pressure, μ is the fluid viscosity, mode. Gañán-Calvo [14] introduced a scaling law for electrosprays in 2004. More recently, and g is the gravitational acceleration, fσ is the computational studies have preferred using surface tension force, and fe is the electrostatic COMSOL Multiphysics and OpenFOAM for force. The last two terms are added to represent the electrohydrodynamic effect on our model. simulations of cone-jet electrosprays, with Singh The surface tension force is calculated per unit and Subramanian [15] developing a model to volume by utilizing the continuum surface model predict the ejection behavior of micro/nano jets (CSF) [17], from small-scale nozzles. Their research also delved into how voltage, flow rate, and fluid f = , (3) characteristics affect jet dynamics and Luan et al. where σ is the surface tension, κ is the mean [16] developed an OpenFoam solver to investigate curvature of the free surface, and γ is the phase liquid wetting and corona discharge effects. fraction of liquid. The mean curvature of free Research on electrode configuration's impact on surface is obtained by, cone-jet formation remains sparse, but current findings suggest that optimal nanoscale printing = −. , (4) involves a highly conductive fluid, low flow rates, small nozzles, and high voltage application. Fluid density and viscosity are calculated based on The objective of this study is to conduct a phase fraction value using the following equation, numerical analysis of two distinct electrode = l + a (1 − ), (5) arrangements: point-to-plane and point-to-ring, using OpenFoam software. The research utilizes a = l + a (1 − ), (6) solver derived from the Taylor-Melcher leaky- ρl is the fluid density of fluid, ρa is the fluid dielectric model, in conjunction with the Volume density of air, μl is the viscosity of liquid, μa is the of Fluid (VOF) technique for monitoring the viscosity of air. interface. The findings demonstrate a strong The electrostatic force fe is calculated using the agreement between the simulation outcomes and governing equation in electrostatic regime. The the pre-existing scaling laws, indicating the first that will be used is the Gauss’s Law, significant role of electrode configuration on the .( E) = e , (7) electric field's behavior. with the Eq. (7) become Poisson’s II. GOVERNING EQUATION equation for electrostatics, e The electrospray technique is based on 2 ( ) = − , (8) electrostatic and fluid dynamic theories. This study utilizes the Taylor-Melcher leaky-dielectric model with ε is permittivity of the fluids, ϕ is the electric to explore how different electrode arrangements potential and ρe is the charge density. The influence the cone-jet formation in electrospray. conversation of charge equation is accounted for, Within this model, the liquid is treated as a e + .J = 0, (9) dielectric material, and the movement of free t electrons to the boundary between the liquid and where is current density, which is a combination air generates electrical tension. This tension is of ohmic charge conduction and charge convection counteracted by the forces due to the liquid's due to fluid flow, viscosity, which also alters the interface's e configuration. The equations that describe the + .( eu) + . ( e E ) = 0, (10) movement of the fluid in this model are those of t HỘI NGHỊ KHOA HỌC & CÔNG NGHỆ TRẺ BÁCH KHOA 2023 3 with κe is the electric conductivity of the fluid, the electrical conductivity and the electrical permittivity are defined by harmonic averages throughout the computational region, 1 1− = + , (11) l a 1 1− = + , (12) e e e l a
electrostatic force for incompressible fluid can be
derived from thermodynamic considerations provided by Melcher [18], 1 2 fe = e E − E , (13) 2 the first term on the right hand side is Coulomb Figure 1. Flow chart of the numerical solver force, the second term is the polarization force This research studies two distinct electrode arise from force exerted by an electric field on a configurations to examine their impact on the cone non-homogeneous dielectric fluid or the jet's behavior. The first configuration is a nozzle- polarization charge at the interface between fluid to-plane setup, delineated in Figure 2, where a 1.3 phases with different dielectric properties [19, 20], mm gap separates the nozzle and the plane 0 (outside the liquid) electrode. Here, the nozzle acts as the anode with a F ( x, y, z, t ) = 1 (inside the liquid) , designated potential , while the ring electrode is 0, 1 ground electrode. The second configuration is a (on the interface) nozzle-to-ring configuration, which incorporates a (14) ring as the counter electrode and is dimensionally The volume of fluid (VOF) method is used to track akin to the former setup. Both cases utilize an the fluid-air interface. This model used a volume axisymmetric 2D model to simplify the result and fraction function F which is defined as follow, reduce computational resources. To represent the kinematic condition at the liquid- air interface, the equation governed the volume fraction function F is, dF + .( Fu) = 0, (15) dt
III. NUMERICAL METHOD
This study employs the interFoam solver to examine the dynamics of the cone-jet mode when subjected to various electrode arrangements. interFoam is a part of the OpenFoam open-source software package, widely used for simulating and analyzing complex fluid flow and heat transfer problems. interFoam is specifically designed for the simulation of two non-mixing fluids, such as air and water and oil or gas. The solver utilizes the Volume-of-Fluid (VOF) approach for accurately tracking the interface of the two distinct fluids. Additionally, it integrates an electrostatic solver that works in tandem with the interFoam solver, sequentially addressing each time step. The procedural methodology of the solver is depicted in the flow chart provided as Figure 1. Figure 2. Schematic of the nozzle-to-plane model used in this simulation. HỘI NGHỊ KHOA HỌC & CÔNG NGHỆ TRẺ BÁCH KHOA 2023 4 Properties Air Ethanol Density ρ 1.225 800 (kg/m3) Dynamic viscosity μ 1.813x10-5 0.0011 (Pa.s) Surface tension σ NAN 0.022 (N/m) Dielectric 1 23 constant εr Conductivity 1x10-12 5.1x10-6 κe (S/m) Figure 3. Meshing description of nozzle-to-plane simulation Table. 2. Properties of Air and Ethanol The electrodes are wall-type, which are surrounded by atmospheric boundaries, with IV. RESULTS AND DISCUSSION specific conditions outlined in Table 1. Table 2 Various parameters are found to affect the presents the physical attributes of air and ethanol behavior of the electrospray's cone-jet mode, such employed in the simulations. Notably, the flow's as the voltage applied, the rate of fluid flow, the Reynolds number within the nozzle is well below gap between electrodes, the dimensions of the the threshold for transitional flow, so we nozzle, and the configurations of the electrodes. exclusively used the laminar flow model. For The focus of this research is to explore how the efficiency in computational resource, it's presumed configuration of electrodes impacts the cone-jet that the fluid interface adopts a pre-formed curved formation in an electrospray system. Specifically, configuration upon voltage initiation. the study examines the effects of using a flat Electro- electrode versus a ring-shaped electrode. Boundary Fluid flow static In the case of the ring electrode, a voltage of 2.8 field kilovolts is applied at the nozzle, with a flow rate that can be adjusted between 1 and 5 milliliters per hour. For the plane electrode, the voltage at the Inlet nozzle is higher, set at 4 kilovolts, and the flow rate is set to a lower range, from 0.75 to 2 milliliters per hour. These specific settings were Outlet selected as they fall within the functional range for the cone-jet mode operation. Nozzle's wall Electrode Atmospheric Table. 1. Boundary condition
Figure 4. Comparison of jet diameter variation
with flow rate between electrode configurations HỘI NGHỊ KHOA HỌC & CÔNG NGHỆ TRẺ BÁCH KHOA 2023 5 Upon examining the point-to-plane and point- to-ring electrode configurations, several distinct differences are evident. The electrical potential difference is notably higher in the point-to-plane configuration compared to the point-to-ring configuration. Additionally, the flow rates that the plane electrode can accommodate are less extensive than those of the ring electrode. However, despite these variations in electrical potential and flow rate capabilities, the cone-jet patterns produced in simulations are quite similar for both configurations. It's likely that the edge of 7 ms 8 ms 9 ms the ring electrode enhances the electric field strength in the vicinity of the Taylor cone. This Figure 5. 3D simulation depicting cone-jet intensified electric field could potentially lower the formation in ring electrode configuration, at a flow voltage difference needed to achieve the cone-jet rate of 3 milliliters per hour, captured at various mode. Moreover, the amplified electric field might time intervals. also support a broader and more intense range of flow rates. Figure 6 clearly shows that when the flow rate is at its highest for both electrode setups, the resulting jet diameters are considerably more unstable during the simulation period than those observed at lower flow rates, as depicted in Figure 5. Moreover, there's a steep increase in the jet diameter at this maximum flow rate, which is a stark contrast to the more moderate increase shown in Figure 4, indicative of a pulsating operational state. This pulsating behavior is linked to the increased flow rate under constant voltage, which 7 ms 8 ms 9 ms pushes the cone-jet into a pulsating state. In electrospray, the pulsating state emerges when the Figure 6. 3D simulation depicting cone-jet flow rate surpasses a specific threshold, leading to formation in ring electrode configuration, at a flow the disappearance of the droplets' regular spherical rate of 5 milliliters per hour, captured at various form at the capillary's exit, replaced by large, time intervals. spindle-shaped liquid fragments stretched by electrical forces, as referenced in [10]. In this phase, the shape of the meniscus oscillates between a rounded hemisphere and a pointed Taylor cone shape, driven by the interplay between surface tension and electrical forces on the ions. The ions' electrostatic forces shape the meniscus into a cone, which then ejects a stream, dispersing many of the ions from the vicinity of the surface. As a result, the electrical forces diminish, and the surface tension restores the meniscus to its rounded state. Subsequently, ions accumulate at the meniscus once more, leading to the 7 ms 8 ms 9 ms reformation of the cone shape, and this cycle continues. This pulsating state is also known as the spindle mode, as cited in [21], and is clearly Figure 7. 3D simulation depicting cone-jet visible in Figure 6. formation in plane electrode configuration, at a flow rate of 1.5 milliliters per hour, captured at V. CONCLUSION various time intervals. This study explored how varying electrode designs impact the Taylor cone-jet formation using a HỘI NGHỊ KHOA HỌC & CÔNG NGHỆ TRẺ BÁCH KHOA 2023 6 computational approach. Numerical analyses were [9] I. Hayati, A. I. Bailey, and T. F. Tadros, "Mechanism of performed on two distinct electrode stable jet formation in electrohydrodynamic atomization," Nature, vol. 319, no. 6048, 1986, pp. 41-43. configurations: point-to-plane and point-to-ring [10] A. Jaworek and A. Krupa, “CLASSIFICATION OF THE design. It was observed that the electrode design MODES OF EHD SPRAYING,” Journal of Aerosol Science, influences the electric field distribution and the vol. 30, no. 7, 1999, pp. 873–893. behavior of the liquid. Specifically, the ring [11] M. Cloupeau and B. Prunet-Foch, “Electrostatic spraying of liquids in cone-jet mode,” Journal of Electrostatics, vol. 22, electrode design amplifies the electric field, which no. 2, 1989, pp. 135–159. in turn reduces the voltage threshold for initiating [12] P. D. Noymer and M. Garel, “STABILITY AND cone-jet mode and allows for a greater throughput ATOMIZATION CHARACTERISTICS OF of liquid. To further refine these results, additional ELECTROHYDRODYNAMIC JETS IN THE CONE-JET AND MULTI-JET MODES,” Journal of Aerosol Science, vol. simulations could be conducted with a wider range 31, no. 10, 2000, pp. 1165–1172. of voltages and flow rates. Numerical [13] R. P. A. Hartman, D. J. Brunner, D. M. A. Camelot, J. C. investigations could be done to study the M. Marijnissen, and B. Scarlett, “JET BREAK-UP IN characteristic of other configurations of electrode ELECTROHYDRODYNAMIC ATOMIZATION IN THE CONE-JET MODE,” Journal of Aerosol Science, vol. 31, no. 1, and validation of applications utilizing different 2000, pp. 65–95. electrodes configurations. [14] A. Gañán-Calvo, "On the General Scaling Theory for Electrospraying," Journal of Fluid Mechanics, vol. 507, 2004. [15] S. K. Singh and A. Subramanian, “Phase-field simulations ACKNOWLEDGMENT of electrohydrodynamic jetting for printing nano-to- microscopic constructs,” RSC Advances, vol. 10, no. 42, 2020, This research is funded by Ho Chi Minh City pp. 25022–25028. University of Technology (HCMUT), VNU-HCM [16] Luan Ngoc Mai, Trung Hieu Vu, Thien Xuan Dinh, Hoai under grant number SVPFIEV-2023-KTGT-03. Duc Vu, Canh-Dung Tran, Van Thanh Dau, and Hieu Khanh Ngo, “Numerical study of electrohydrodynamic atomization We are deeply thankful to Mr. Mai Ngoc Luan for considering liquid wetting and corona discharge effects,” his invaluable assistance in conducting the Physics of Fluids, vol. 35, no. 6, 2023. simulations for our research. We acknowledge the [17] E. Berberović, N. P. van Hinsberg, S. Jakirlić, I. V. support of time and facilities from HCMUT, Roisman, and C. Tropea, “Drop impact onto a liquid layer of finite thickness: Dynamics of the cavity evolution,” Physical VNU-HCM for this study. Review E, vol. 79, no. 3, 2009. [18] J. R. Melcher, Continuum Electromechanics. MIT Press REFERENCES (MA), 1981. [19] A. K. Sen, J. Darabi, D. R. Knapp, and J. Liu, “Modeling [1] G. Taylor, "Disintegration of Water Drops in an Electric and characterization of a carbon fiber emitter for electrospray Field," Proc. R. Soc., vol. 280, p. 14, 1964. ionization,” Journal of Micromechanics and Microengineering, [2] Van T. Dau, Trung-Hieu Vu, Canh-Dung Tran, Thanh Viet vol. 16, no. 3, 2006, pp. 620–630. Nguyen, Tuan-Khoa Nguyen, Toan Dinh, Hoang-Phuong Phan, [20] Y. Ouedraogo, E. Gjonaj, T. Weiland, H. D. Gersem, C. Kazunori Shimizu, Nam-Trung Nguyen and Dzung V. Dao, Steinhausen, G. Lamanna, B. Weigand, A. Preusche, A. “Electrospray propelled by ionic wind in a bipolar system for Dreizler, and M. Schremb, "Electrohydrodynamic simulation of direct delivery of charge reduced nanoparticles,” Applied electrically controlled droplet generation," International Journal Physics Express, vol. 14, no. 5, 2021, p. 055001. of Heat and Fluid Flow, vol. 64, 2017, pp. 120-128. [3] Trung-Hieu Vu, Sharda Yadav, Canh-Dung Tran, Hong- [21] O. Lastow and W. Balachandran, “Numerical simulation Quan Nguyen, Tuan-Hung Nguyen, Thanh Nguyen, Tuan-Khoa of electrohydrodynamic (EHD) atomization,” Journal of Nguyen, Jarred W. Fastier-Wooller, Toan Dinh, Hoang-Phuong Electrostatics, vol. 64, no. 12, 2006, pp. 850–859. Phan, Hang Thu Ta, Nam-Trung Nguyen, Dzung Viet Dao, and Van Thanh Dau, “Charge-Reduced Particles via Self-Propelled Electrohydrodynamic Atomization for Drug Delivery Applications,” ACS Applied Materials & Interfaces, vol. 15, no. 25, 2023, pp. 29777–29788. [4] V. T. Dau, T.-K. Nguyen, and D. V. Dao, “Charge reduced nanoparticles by sub-kHz ac electrohydrodynamic atomization toward drug delivery applications,” Applied Physics Letters, vol. 116, no. 2, 2020, p. 023703. [5] Gilbert, G. De magnete, magneticisque corporibus, et de magno magnete tellure; Physiologia nova, plurimis & argumentis, & experimentis demonstrata, Petrus Short, 1660 [6] J. Zeleny, "Instability of Electrified Liquid Surfaces," Physical Review, vol. 10, no. 1, 1917, pp. 1-6. [7] L. Rayleigh, "XX. On the equilibrium of liquid conducting masses charged with electricity," The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, vol. 14, no. 87, 1882, pp. 184-186. [8] J. R. Melcher, G. I. Taylor, "Electrohydrodynamics: a review of the role of interfacial shear stresses," Annual Review of Fluid Mechanics, vol. 1, 1969, p. 35. HỘI NGHỊ KHOA HỌC & CÔNG NGHỆ TRẺ BÁCH KHOA 2023 7
SVPFIEV-2023-KTGT-03
Khảo sát sự ảnh hưởng của cấu hình phun
lên đặc tính hoạt động của công nghệ phun tĩnh điện bằng phương pháp số Nguyễn Vũ Nhật Minh, Châu Thiên Thuận, Nguyễn Thị Khánh Ly, Đặng Anh Phương, Ngô Khánh Hiếu Tóm tắt: Phun tĩnh điện, hay còn gọi là Phân tử hóa thủy điện động, là một quá trình mà các hạt sương được tạo ra khi một hiệu điện thế được áp vào một chất lỏng. Quá trình làm biến dạng bề mặt chất lỏng thành hình nón khi tiếp xúc với điện trường mạnh, dẫn đến sự hình thành của một tia chất lỏng và vỡ thành các giọt chất lỏng tích điện có kích thước micro hoặc nano. Quá trình vật lý này có nhiều ứng dụng đa dạng, bao gồm phân phối thuốc, in 3-D và thiết kế máy đẩy không gian, nhờ chi phí rẻ, hiệu quả cao và khả năng kiểm soát tốt so với các phương pháp khác. Các chế độ hoạt động của phun tĩnh điện có thể điều chỉnh được thông qua nhiều thông số khác nhau như điện áp, tốc độ dòng chảy của chất lỏng và khoảng cách phun, với chế độ phun tia hình nón đơn được ưu tiên hơn vì tính ổn định, khả năng kiểm soát và tốc độ sản xuất vượt trội. Bài viết này xem xét đặc tính động lực học của chế độ phun tia hình nón trong hai cấu hình riêng biệt thông qua phân tích số với phần mềm OpenFOAM. Nó sử dụng một bộ giải có nguồn gốc từ mô hình điện môi rò rỉ Taylor-Melcher, được tích hợp với kỹ thuật VOF để theo dõi các giao diện, và thực hiện mô phỏng. Nghiên cứu cho thấy rằng thiết kế cấu hình điện cực ảnh hưởng đến việc tăng cường điện trường và mô hình lắng đọng chất lỏng. Từ khóa: Phun tĩnh điện, cấu hình điện cực, CFD, OpenFoam, tia phản lực hình nón