South African Journal of Chemical Engineering 34 (2020) 57–62 Contents lists available at ScienceDirect South African Journal of Chemical Engineering journal homepage: www.elsevier.com/locate/sajce Simulations of different power intensity inputs towards pressure, velocity & cavitation in ultrasonic bath reactor T ⁎ Muhammad Shafiq Mat-Shayutia,b, , Tuan Mohammad Yusoff Shah Tuan Yaa,c, Mohamad Zaki Abdullaha, Nadiahnor Md Yusopb, Nadia Kamarrudinb, Maung Maung Myo Thantd, Mohammad Faizal Che Daudd a Mechanical Engineering Department, Universiti Teknologi PETRONAS, Seri Iskandar 32610, Perak, Malaysia Faculty of Chemical Engineering, Universiti Teknologi MARA, Shah Alam 40450, Selangor, Malaysia c High Performance Computing Centre, Universiti Teknologi PETRONAS, Seri Iskandar 32610, Perak, Malaysia d Group Research & Technology, PETRONAS, Bandar Baru Bangi 43000, Selangor, Malaysia b A R T I C LE I N FO A B S T R A C T Keywords: Numerical analysis User-defined function (UDF) Ultrasonic transducer ANSYS FLUENT Degassing Acoustic pressure PIV Various ways exist to describe power intensity in ultrasonic system, causing complications in reporting and benchmarking. This paper attempts to compare computational fluid dynamic (CFD) simulations of ultrasonic bath running at 60 W 40 kHz using different power intensity (also known as sound intensity) inputs viz rated power, calorimetric power and particle velocity. Applying Schnerr and Sauer model based on Rayleigh-Plesset equation, an abrupt streaming flow was observed during the transient period. After steady ultrasonic cycle was reached, the simulation using rated power input recorded the highest and widest ranges of total pressure (-51.1 to 308 kPa), fluid particles velocity (7.22 to 11.5 m/s) and cavitation mass transfer (-821 to 925 kg/m3). The sound amplitude around 200 kPa in the rated power intensity generated the greatest cavitation effects, while particle velocity having 23 kPa sound amplitude failed to produce any cavitation bubbles. The difference lay in the tendency of liquid molecules to vaporize (and vice versa) during sound wave oscillation. Verification with experimental data implied the rated power feed produced the closest similarity among the three inputs. 1. Introduction Ultrasonic technique always finds applications in chemical processes, whether in extraction, emulsification / demulsification, cleaning, degradation of chemicals and others (Martins Strieder et al. 2020; Mat-Shayuti et al., 2019). These processes by ultrasonic force mainly depend on the produced cavitation and subsequent shockwave that could release free radicals or break interfacial bond between phases (Abramov et al., 2009; Mason et al., 2004). Numerical simulation could provide insight into deeper comprehension of sonication effect, necessary for ultrasonic system improvement. It cuts resources needed for experiment by virtually manipulating parameters and predicting outcomes. Considerable amount of studies was reported with regards to simulating ultrasonic field using computational fluid dynamic (CFD). Some approaches required massive computational resources to get down to the lowest scale and predict results accurate to a single bubble dynamic (Merouani et al., 2013; Osterman et al., 2009). On the opposite end, others focused on simplicity for quick solution by applying generic model for specific ultrasonic system. For instance, ⁎ Trujill and Knoerzer (2009) utilized a CFD model founded by J. Lighthill for prediction of acoustic streaming in ultrasonic horn system, while Tiong et al. (2015) performed acoustic pressure simulation for VialTweeter based on Helmholtz equation. Regardless of approaches taken, one must use standardized ultrasonic parameters to ensure accuracy of computational results. This study revolved around an ultrasonic bath reactor where a piezoelectric transducer was mounted to the reactor's bottom with surface ratio of the transducer to the reactor's bottom was almost 1:1. The modeling of sound field was taken directly from the acoustic theory (Cai et al., 2009) and previously proven to work with ultrasonic bath system (Abolhasani et al., 2012). The state of sound pressure or also known as acoustic pressure at inlet or ultrasonic source, Pinlet (Pa), with respect to time, t (s), and space coordinate, z (m), is given as Pinlet = Pampcos[ω (t + z / C ] (1) where Pamp is sound pressure amplitude (Pa) with angular frequency, ω (rad/s), and sound speed in water, C (m/s). z is equal to 0 when inlet is treated as datum. Theoretical Pamp which is the maximum sound Corresponding author. E-mail address: mshafiq5779@uitm.edu.my (M.S. Mat-Shayuti). https://doi.org/10.1016/j.sajce.2020.06.002 Received 13 May 2020; Received in revised form 2 June 2020; Accepted 11 June 2020 1026-9185/ © 2020 The Author(s). Published by Elsevier B.V. on behalf of Institution of Chemical Engineers. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/BY-NC-ND/4.0/). South African Journal of Chemical Engineering 34 (2020) 57–62 M.S. Mat-Shayuti, et al. 2.2. Meshing pressure is calculated by Pamp = 2IρC (2) A total of 16,000 meshes and 16,281 nodes were generated, achieving minimum orthogonal quality of 9.98865e−01. The maximum ortho skew and maximum aspect ratio were 1.13483e−3 and 1.45932, respectively. where ρ denotes density (kg/m ) of medium where sound is traveling. Power intensity or sound intensity, I (W/m2), however, can be computed by various approaches. Despite having the same unit, they have different definition and their magnitudes can differ significantly. The common practice is to divide ultrasonic rated power, Prated (W) or calorimetric power, Pcal (W) by irradiation area, A (m2) which gives 3 P or Pcal I = rated A 2.3. Physics setup and numerical method In the pressure-based solver of transient mode, mixture model of multiphase fluids was switched on as the problem involved water liquid and vapor, with no slip velocity setting. Energy equation was required to enable cavitation mass transfer between water liquid and vapor. For the turbulence model, standard k-epsilon model and standard wall function were set. The general vapor transport equation that governs cavitation mass transfer is described as (3) where Prated is quoted from manufacturer and Pcal is standardized by the International Electrotechnical Commission Standard to be Pcal = dT CP M dt (4) → ∂ (αρv ) + ∇ . (αρv Vv ) = R e − R c (7) ∂t → where α, ρ, and Vv are volume fraction, density, and phase velocity, respectively, while v refers to the vapor phase. The mass transfer source term for vapor bubbles growth is Re and for vapor bubbles collapse is Rc. The bubbles dynamic equation which is derived from RayleighPlesset equation is given by Temperature variation rate is expressed as dT (K/s), liquid medium's dt specific heat capacity as CP (J/kg K), and its mass as M (kg). On the other hand, particles velocity, V (m/s), can be used to calculate I as (Gao et al., 2015) I= Pa2 ρV (5) or I = Pa V RB (6) D 2 RB 3 R 2 P − P⎞ 4vl 2S + ⎛ B ⎞ = ⎜⎛ B RB − ⎟ − Dt 2 2 ⎝ Dt ⎠ RB RB ⎝ ρl ⎠ (8) with ℜB is bubble radius, PB is bubble surface pressure and P is far-field pressure. Any terms with l in the equation correspond to liquid phase. Schnerr and Sauer cavitation model was chosen in this study because of its versatility. It can be used with all turbulence schemes and most of numerical solvers offered in ANSYS FLUENT, while at the same time has the robustness to deal with compressible fluid and non-conformal mesh interface. Further setting saw vaporization pressure set at 3540 Pa and bubble number density of 1e+13. The solution method utilized SIMPLE scheme and PRESTO mode for pressure in spatial discretization. The remaining numerical method followed the recommendations in ANSYS FLUENT manual. In this work, ultrasonic setting at 60 W 40 kHz was selected due to accessibility to experimental data and for being deemed as the middle frequency between low (20 kHz) and high (60 kHz) frequencies in kilohertz-range ultrasonic bath system. To simulate ultrasonic irradiation at the inlet pressure boundary, a user-defined function (UDF) was coded as per Fig. 2. The time step used was one-sixteenth of the 40 kHz ultrasonic period to ensure the simulation capture all the ultrasonic effects and avoid floating error. Iteration was fixed at 10 times per time step. where Pa is the acoustic pressure (Pa). It can be seen that there are multiple approaches to assume the value of I, each is dimensionally correct and holds the premise to simulate the ultrasonic condition in ultrasonic system. Therefore, this investigation tried to explore the ultrasonic effects differences in ultrasonic bath reactor when different I values were used in simulation and comment on their resemblance with experimental result. 2. Methodology 2.1. Geometry modeling & boundary condition The cylindrical bath reactor of 8 cm diameter x 20 cm tall as demonstrated in Fig. 1 was modelled in 2D configuration. The bottom wall as the ultrasonic source was assigned pressure inlet, the water-air interface at the top was allotted as pressure outlet, while the cylinder wall was treated as normal wall condition. 2.4. Verification and validation Some parameters of the simulation were validated in separate experiments for the ultrasonic bath at 60 W 40 kHz setting. Sonic Meter SM 1000 was probed into the reactor to map the acoustic pressure distribution, while particle image velocimetry (PIV) system from Dantec Dynamics was operated to measure the fluid particles velocity, V. 3. Result & discussion 3.1. Transient period A transient period showcasing dynamic evolution of total pressure in Fig. 3 was observed when rated power was used as input. A streaming band of low pressure (consisted of bubbles) could be Fig. 1. The ultrasonic cylindrical bath reactor showing boundary conditions. 58 South African Journal of Chemical Engineering 34 (2020) 57–62 #include "udf.h" DEFINE_PROFILE(inlet_profile,thread,position) { face_t f; real t=CURRENT_TIME; begin_f_loop(f,thread) { F_PROFILE(f,thread,position)=P amp*cos(ω*(t+(z/C)); } end_f_loop(f,thread) } /replace the values of Pamp, ω, z and C accordingly. Inlet pressure, Pinlet (kPa) M.S. Mat-Shayuti, et al. Rated power Calorimetric power Acoustic Intensity 300 200 100 0 1 -100 -200 Time, t (s) Fig. 2. UDF code for pressure inlet cycle modeling ultrasonic pattern at 60 W 40 kHz and its graphical representation. other hand showed very little difference between transient and steady periods. observed moving upwards from the bottom. The streaming stopped as it reached near the water surface and its total pressure enlarged. Now the reactor was divided into 2 regions, above and below the streaming band. The pressure in the former now amplified while the latter declined. The bottom region area gradually retracted and at the same time plunging in total pressure. Simultaneously, the interface between the top and bottom regions exhibited localized high-pressure points as indicated by the red dots, which eventually died down as the bottom region totally withdrew. In an experiment, this initial fluid stream from the ultrasonic source to the water-air interface was immediately seen as the ultrasonic generator switched on. It also could represent the degassing process of the fluid. Beyond this milestone (0.01745 s), the pressure oscillation in the reactor corresponded accordingly to the ultrasonic irradiation given by the ultrasonic source and is termed as steady period. Calorimetric power and particle velocity inputs on the 3.2. Steady period Fig. 4 illustrates the total pressure in the ultrasonic reactor during pressure hike and descent, proving the expediency of the written UDF to integrate well with all the physics setup and numerical schemes in the solution. The interaction between the set oscillation and fluid properties can be seen to influence the pressure and other ultrasonic effects across the reactor. Fig. 5 portrays the corresponding individual plots for total pressure, velocity magnitude, cavitation and liquid phase fraction. Those of rated power input show the maximum values with the largest ranges, followed by calorimetric power and particle velocity. The finding could be attributed to the declining power intensity as rated Fig. 3. Total pressure transition during transient period from 0 to 0.01745 s (from i-viii) when rated power input was used. 59 South African Journal of Chemical Engineering 34 (2020) 57–62 M.S. Mat-Shayuti, et al. Fig. 4. Increasing and decreasing pressure cycle during steady period. Notice the variation in total pressure across spatial and temporal dimensions of the ultrasonic reactor which influenced the ultrasonic cavitation. power was replaced with calorimetric power and calorimetric power substituted by particle velocity. For cavitation to occur, water needs to boil locally and produces vapor bubbles in low surrounding pressure. Cavitation then is recorded as mass transfer (kg/m3) from liquid to vapor phase. When these bubbles are subjected to high-pressure ambience during ultrasonic ascension, they will implode. At this instance, the cavitation bubbles undergo phase change again from vapor to liquid, known as condensation. The highest manifestation of cavitation found in the rated power input was echoed by the largest vapor volume fraction, whereas the input using particle velocity failed to generate bubbles although at one point generated −1.63 × 104 Pa total pressure. Cavitation bubble formation was observed in the experimental study of 60 W 40 kHz ultrasonic bath reactor, thus particle velocity input is rejected. Fig. 6 portrays the comparison between experimental acoustic pressure, Pa (Pa) and simulated total pressure dissipations within the reactor. The trend of attenuation was fitted according to the power law, where the closest proximity to the experimental value was shown by the rated power input, trailed by calorimetric power and particle velocity. up 5–50 W 490 kHz ultrasonic bath experiment and detected up to 160 kPa sound pressure using ONDA HNR-1000 probe. Then Csoka et al. (2011) simulated 3.3 L ultrasonic bath at 220 W 224 kHz and recorded maximum 56 MPa pressure. Later Koch (2016) used selfmade needle hydrophones in ultrasonic bath at 5–30 W 45 kHz to get 50–500 kPa. Interestingly, none of these works complemented their findings with numerical study or vice versa, hinting the problem with sound pressure prediction. Correction factor for ultrasonic model could be introduced via extensive experiment to ease the disagreement between the measured sound pressure and theoretical total pressure. In the meanwhile, the fluid particle velocity was underestimated due to several reasons. There is no high-speed camera capable of capturing each cycle of 40 kHz ultrasonic oscillation, thus the velocity recorded was just an averaged interpretation of the particle velocity, which was made even lower by the interference of standing wave regions. As with any engineering application, the use of statistical methods for measurement system and optimization may be performed to improve result accuracy and performance of the ultrasonic system (Ab Hamid et al. 2020; Mat-Shayuti and Adzhar 2017). 3.3. Error analysis 4. Conclusion There is slight difference between the pressures compared in Fig. 6 which caused 41% discrepancy. The sound/acoustic pressure is the local pressure deviation from surrounding caused by sound wave, measured as sound force on a surface area. While Pinlet was entirely sound pressure, the simulated total pressure covered other pressure components viz static, dynamic and hydrostatic pressures. The study of acoustic pressure in ultrasonic bath is limited. Kojima et al. (2010) set Lack of standardization for certain ultrasonic parameters’ equations are causing confusion over the computation. Evaluation of simulations comparing three different inputs for power intensity in a customized ultrasonic bath showed that the rated power gave the best representation of the actual system as compared to the calorimetric power and particle velocity. The simulated effects were superior for the rated power input in all criteria namely total pressure, velocity magnitude 60 South African Journal of Chemical Engineering 34 (2020) 57–62 M.S. Mat-Shayuti, et al. 16 Total pressure (kPa) 300 Velocity magnitude (m/s) 308 200 100 64.7 20.1 -16.3 0 -51.1 -100 Rated power -58.8 Calorimetric power 12 11.5 10.1 8 5.17 3.69 4 0 Rated power Particle velocity Calorimetric power Water liquid 1200 Volume fraction 400 132 0 -400 0 -455 -800 Particle velocity Water vapour 1 925 800 Cavitation (kg/m 3) 7.81 7.22 0.995 0.99 0.985 0.98 -821 0.975 -1200 Rated power Calorimetric power Rated power Particle velocity Calorimetric power Particle velocity Fig. 5. Various ranges of ultrasonic effects within the reactor. 600 500 Pressure (kPa) Declaration of Competing Interests Experimental acoustic pressure Simulated total pressure from rated power Simulated total pressure from calorimetric power Simulated total pressure from particle velocity 400 The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. 300 Acknowledgment 200 This work was supported by the Ministry of Education, Malaysia, through Fundamental Research Grant Scheme [600-IRMI/FRGS 5/3 (192/2019)]. Special thanks also to the Group Research & Technology PETRONAS for the supports rendered. 100 0 0 -100 2 4 6 8 10 12 14 16 18 20 Distance from Ultrasonic Source (cm) References Fig. 6. Experimental & simulated pressure attenuation at 60 W 40 kHz. Ab Hamid, F.H., Salim, S.A., Mat-Shayuti, M.S., 2020. 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