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International Journal of Multiphase Flow 167 (2023) 104543

Contents lists available at ScienceDirect

International Journal of Multiphase Flow


journal homepage: www.elsevier.com/locate/ijmulflow

Effect of entry geometry on droplet dynamics in contraction microchannel


Van Thanh Hoang a, *, Van Duong Le a, Jang Min Park b, Bich-Tram Truong-Le c
a
Department of Mechanical Engineering, The University of Danang - University of Science and Technology, 54 Nguyen Luong Bang Street, Danang City 550000, Vietnam
b
School of Mechanical Engineering, Yeungnam University, Daehak-ro 280, Gyeongsan 38541, Republic of Korea
c
Department of Science-Technology and Environment, The University of Danang, Danang City 550000, Vietnam

A R T I C L E I N F O A B S T R A C T

Keywords: In droplet-based microfluidic systems, the movement and control of liquid droplets are primarily governed by
Contraction microchannel microchannel geometry. The aim of this study is to examine droplet dynamics in contraction microchannels by
Droplet-based microfluidics using three-dimensional simulation and theoretical modeling. This work specifically describes three regimes of
Droplet dynamics
the droplet dynamics, including the trap, squeeze, and breakup regimes, and investigates the effects of capillary
Numerical simulation
Capillary number
number (Ca), entry angle (α), and contraction channel ratio (C). Additionally, a theoretical model is proposed to
describe the transition between squeeze and trap regimes, which depends on the entry angle. The critical value of
capillary number (Ca1c) for this transition is observed to be Ca1c = a(CM − b /α), where a and b are fitted pa­
rameters. Meanwhile, the entry angle is found to have no influence on the transition from squeeze to breakup
regime. The droplet deformations, retraction, and/or breakup position are quantitatively investigated for a wide
range of capillary number and entry angle. The aforementioned findings would provide valuable recommen­
dations for designing contraction micro channels.

1. Introduction 2015). In order to detect and analyze genes optically, Randall et al.
(2006) stretched big DNA molecules inside droplets using a micro­
The application of microfluidics in Lab-on-a-Chip (LoC) and micro­ channel under hyperbolic contraction. Using the contraction micro­
TAS, which are predominantly used in the biomedical, pharmaceutical, channel, rheological properties of polymeric materials can also be
and environmental domains, has increased over the past few decades measured (Pipe and McKinley, 2009).
(Castillo-León and Svendsen, 2015). The systems of microfluidics have a The dynamics of the droplets in the contraction microchannel have
number of benefits, including low-volume sample and reagent con­ been presented in quite great detail, both numerically and experimen­
sumption, quick analysis, the manipulation capacity of tiny particles, tally. The majority of earlier research in numerical studies was done
cells, and droplets, inexpensive manufacturing costs, and more. Over the using a model with two dimensions. For example, Khayat et al. (1997)
past few years, droplet-based microfluidic technologies have been investigated the deformation of droplets caused by the contraction entry
quickly developed for biological and chemical analysis (Yan et al., geometry and rheology by using a numerical computational method
2013). Up until recently, a lot of attention was given to the specifics of called the boundary element method (BEM). Then, they used a hyper­
droplet dynamics in microfluidic systems. To ensure the control and bolic convergent-divergent microchannel to numerically and physically
manipulation of chemical compounds and reagents more accurately in a explore the effects of shear and elongation flows on droplet deformation
digital setting, these devices involve injecting two or more fluids that (Khayat et al., 2000). Using the finite element method, Chung et al.
cannot be immiscible to create droplets (Baroud et al., 2010; Seemann (2008,2009) examined how viscoelasticity affected drop dynamics in a
et al., 2012). 5:1:5 planar microchannel with contraction-expansion geometry. An
Contraction microchannels are frequently used in microfluidic de­ additional study looked more closely at the effects of the capillary
vices, which are based on droplets, for various applications. For number (Ca), Weber number (We), Reynolds number (Re), and viscosity
instance, droplet production and regime characteristics in a narrow ratio on the droplet dynamics in a two-dimensional contraction micro­
microchannel were studied for emulsification purposes (Anna et al., channel (Christafakis and Tsangaris, 2008). Harvie et al. (2005, 2006,
2003; Fu et al., 2012; Yan et al., 2012; Fu and Ma, 2015; Dang et al., 2007) investigated droplet dynamics in a contraction microchannel with

* Corresponding author.
E-mail address: hvthanh@dut.udn.vn (V.T. Hoang).

https://doi.org/10.1016/j.ijmultiphaseflow.2023.104543
Received 4 December 2022; Received in revised form 13 May 2023; Accepted 2 June 2023
Available online 10 June 2023
0301-9322/© 2023 Elsevier Ltd. All rights reserved.
V.T. Hoang et al. International Journal of Multiphase Flow 167 (2023) 104543

Fig. 1. Schematic diagram of the contraction microchannel used in simulation: (a) a full geometry and symmetric computational domain illustrated by the blue color
for medium phase and the red color for droplet phase, and (b) top and side views of the geometry.

axisymmetric geometry, where the Re, Ca, and viscosity ratios were contraction microchannel with changing entry angles for finely manip­
taken into account for exploring droplet deformation. There are not ulating droplets. In this regard, the goal of the current study is to explore
many papers in the literature that discuss droplet dynamics in contrac­ droplet dynamics in a contraction microchannel with various entry an­
tion microchannels in three dimensions. Zhang et al. (2014, 2015, 2018) gles in three dimensions by using numerical analysis and theoretical
conducted representative three-dimensional investigations to examine modeling. The results of this study could be an advantageous guideline
droplet deformation under various three-dimensional contractions and for droplet-based microfluidic application designers, especially when
control the deformation of droplets, cells, and particles in narrow con­ the contraction microchannel is adopted for particular purposes as
finements. Droplet dynamics of transitions from trap to squeeze and presented earlier. From the theoretical and numerical studies presented
from squeeze to breakup in contraction microchannel was investigated here, one might also have a thorough knowledge of droplet dynamics in
by Hoang et al. (2018). Imani et al. explored the effects of capillarity – microfluidics design.
wettability to droplet deformation through a constricted capillary Section 2 presents the geometry description of the contraction
channel (Imani et al., 2022). The numerical and experimental investi­ microchannel and computational models. The results of theoretical and
gation about the elongation of droplet as an equation of the ratio of the numerical analysis are displayed in Section 3, and details of the influ­
initial diameter of droplet to the cross-sectional area of an abrupt ence of entry angle, capillary number, and viscosity ratio on droplet
contraction was presented by Patlazhan et al. (2022). Up to our dynamics along the downstream are provided. Section 4 concludes with
knowledge, there are not many outcomes from experimental studies a summary and recommendations.
available in the literature.
The majority of the numerical investigations in those earlier publi­ 2. Problem description
cations are restricted to microchannel that contract in two dimensions or
that are axisymmetric; however, these simulations might differ signifi­ 2.1. Geometry description
cantly from experiments, especially for non-circular microchannel. Two-
dimensional models, for instance, were unable to adequately forecast Fig. 1 depicts the geometrical shape of the contraction microchannel.
droplet generation or deformation in microchannel due to the curvature A red sphere in the illustration indicates the initial location of a droplet
of the droplet and non-circular hydrodynamics of the microchannel with a radius of R, which is centered at the origin of the coordinate
(Galusinski and Vigneaux, 2008; Harvie et al., 2008; Ngo et al., 2015). In system. The microchannel in this work is 5R deep, minimizing the wall
order to conduct a thorough investigation, the dynamics of droplets in effect from the microchannel top (y = 2.5R) and bottom (y = − 2.5R)
such a geometry should be characterized using a three-dimensional surfaces on the behavior of the droplet (Kennedy et al., 1994; Guido and
model since the practical microfluidic systems used have rectangular Villone, 1998; Ioannou et al., 2016). The length and width of contraction
cross-sections. In fact, the experimental study of droplet dynamics in a microchannel are 30R and 2W, respectively, whereas the bigger
microchannel will cost a lot to get large enough data for a wide range of microchannel has a length of Li and a width of 4R. The entry angle of the
conditions such as capillary numbers, viscosity ratios, and geometry contraction region is denoted as α.
parameters. In addition, with the development of computational tools, In order to fully capture the droplet dynamics without outlet
numerical simulation has been utilized to gradually replace the experi­ boundary effect, the length of contraction microchannel of 30R was
mental study for its advantages (Sivasamy et al., 2011). However, the chosen (Ngo et al., 2015). The contraction level is defined as C = R/W, a
numerical analysis is also time consuming to get such a large quantity of non-dimensional number. In this study, the contraction C ranges from
data, especially for very large computation problems. To overcome these 1.11 to 2.5, therefore the microchannel width (2W) is always less than
difficulties, theoretical models are typically used to predict droplet dy­ the original droplet diameter (2R). In this work, a symmetric model
namics properties in microchannel. To the best of our knowledge, there representing a fourth of the whole three-dimensional model is employed
are no comprehensive instructions in the literature for designing a to reduce the computing cost, as indicated by the blue color in Fig. 1. (a).

2
V.T. Hoang et al. International Journal of Multiphase Flow 167 (2023) 104543

Fig. 2. The snapshot description on the influence of entry angle and Ca1 on trap to squeeze characteristics. Viscosity ratio λ = 0.15, and contraction ratio C = 1.25.

Because dynamics of droplet-based microfluidic system is charac­ 3. Results and discussion


terized by the flow with very low Reynolds number, the inertia effect is
disregarded in the simulation. Both the dispersed and medium phases A mesh convergence study is conducted first to determine the
are considered to be incompressible Newtonian liquids. A volume of element size which allows an accurate description of the trap and
fluid model is employed to represent the interface between the droplet squeeze regimes. Then, the droplet dynamics in the contraction micro­
and the medium, and the continuum surface force model is utilized to channel is described qualitatively through the snapshots of the numer­
describe the surface tension as a body force (Brackbill et al., 1992). At ical results. To predict the transition characteristics from trap to squeeze
the inlet, a constant velocity is used, and at the outflow, zero pressure is regime, a theoretical model is proposed in the next subsection. Finally,
applied as the boundary condition. The microchannel wall is subjected the droplet dynamics is analyzed quantitatively for a wide range of the
to the no-slip condition. In order to prevent the wall from getting wet, entry angles, capillary numbers, viscosity ratios, and contraction ratios
the contact angle between the droplet and the wall is 180 degrees. In of the microchannel.
droplet-based microfluidic systems that use silicone oil as the medium
phase and aqueous liquid as the droplet phase, the viscosity ratio (λ) of 3.1. Mesh convergence study
the droplet viscosity (μd ) to the medium viscosity (μm ) is around 0.15.
The effects of element size on the droplet dynamics in the contraction
2.2. Computational model channel were tested before handling numerical analysis. The dimen­
sionless element size, δ, is defined as the ratio between the element size
The simulation is performed using the commercial software of and the diameter of a droplet. An entry angle of 45 degrees was used in
ANSYS Fluent. In this work, the PISO scheme, the PRESTO!, the second this test. The viscosity ratio, capillary number, and contraction ratio
order upwind scheme, and the Geo-Reconstruct scheme are used for the used are 0.15, 0.0018, and 1.25, respectively. It has been found that the
pressure-velocity coupling, the pressure interpolation, the momentum numerical result largely depends on the element size, and as the element
conservation equation, and the interface interpolation, respectively (Li size is decreased, the droplet is likely to pass through the contraction. As
et al., 2012; Hoang and Park, 2019). The hexahedral elements used to a result, the droplet passes through the channel when δ ≤ 0.025. In this
uniformly discretize the computational domain have a size of R/20, study, we handled the mesh convergence study by using the phenome­
which is fine enough for the current investigation (Li et al., 2012). A non that droplet passes through or do not pass through the contraction
mesh convergence test result will be presented in the next section. With area, and we discovered that when the mesh system was 0.025, droplets
a Courant number of 0.25, a variable time stepping is employed for the moved from the trap to the squeeze regime. In addition, the mesh system
time discretization. The computational model was validated with of 0.025 is the same as the one used in Li et al.’s study (2012). In this
experimental results of the droplet formation problem as presented in regard, numerical simulations are carried out with the mesh system of
the previous studies (Li et al., 2012). δ = 0.025, and the details of the results will be discussed in the
The capillary number (Ca) is defined as Ca = μm V/σ, where Vis the following subsections.
characteristic velocity, μm is viscosity of medium phrase and σ is the
coefficient of surface tension between the two phases. In the explanation
3.2. The effect of entry angle and capillary number
that follows, two distinct capillary numbers will be utilized based on the
droplet’s location in the microchannel. The capillary number is desig­
In Fig. 2, the effect of the entry angle on the droplet trap and squeeze
nated as Ca1 in the larger microchannel and is determined by the
can be observed clearly from the snapshots of the numerical results. The
entrance velocity (Vi ) as the characteristic velocity, whereas the capil­
droplet does not conformably bend to the contraction microchannel in
lary number in the contraction microchannel, Ca2 , is determined by the
the first scenario depicted in Figs. 2 (a), (b), and (c), and as a result, it is
average velocity in the contraction microchannel Vc . Therefore, Ca2 =
unable to pass through the contraction microchannel until the entry
2C Ca1 .
angle is decreased to 30 degrees. This instance is referred to as a trap. In
the second scenario where the entry angle is decreased to 26 degrees,
shown in Fig. 2 (d), the droplet is squeezed and transported down the
contraction microchannel. This scenario is referred to as a squeeze in

3
V.T. Hoang et al. International Journal of Multiphase Flow 167 (2023) 104543

Fig. 3. The snapshot of the influence of entry angle on squeeze to breakup characteristics. Viscosity ratio λ = 0.15, capillary number Ca2 = 0.735, and contraction
ratio C = 1.25.

Fig. 4. The influences of entry angle on the droplet trap and squeeze regimes: filled-square symbols: trap; unfilled-circle symbols: squeeze. Viscosity ratio λ = 0.15,
contraction ratio C = 1.25.

this work. When the capillary number is decreased, the entry angle characteristics of the transition from squeeze to breakup are defined by
required for the squeeze is found to decrease, as shown in Figs. 2 (e) and Ca2 .
(f). A change in hydrostatic pressure can control the trapped droplet to Fig. 4 depicts the overall map of trap and squeeze regimes observed
overcome/or not the Laplace pressure. The lower the hydrostatic pres­ in Fig. 2 for λ = 0.15 and contraction ratio C = 1.25. For Ca1 > 0.0018,
sure, the easier it is for droplets to be trapped, and vice versa (Simon the droplet always passes through the contraction in this condition. For
et al., 2012; Hoang et al., 2018). Ca1 < 0.0018, the critical capillary number distinguishing the trap and
The droplet dynamics in the downstream is shown in Fig. 3. When squeeze regimes increases with the entry angle. In other words, the
the capillary number is large enough, the droplet can finally split into droplet can be trapped by increasing the entry angle. Meanwhile, the
smaller droplets as a result of complex interfacial processes, which is breakup always takes place independently from the entry angle as
referred to in this work as a breakup. In general, the breakup behavior is observed from Fig. 3, as far as Ca2 is larger than a critical value, which is
found to be similar for different entry angles. Ca1 is used to investigate 0.73, in this case.
droplet dynamics at the transition from trap to squeeze, whereas

Fig. 5. Illustration of trap mechanism for entry angle α = 26 degrees and contraction ratio C = 1.25.

4
V.T. Hoang et al. International Journal of Multiphase Flow 167 (2023) 104543

Fig. 6. The snapshot of influences of the contraction ratio and entry angle on the trap-to-squeeze phenomenon. Ca1 = 0.0025, viscosity ratio = 0.15.

3.3. Proposed model difference between the contraction region and the inlet. If Δph ≤ Δp,
then the droplet will be trapped (Simon et al., 2012; Hoang et al., 2018).
Hoang et al. (2018) previously investigated the mechanism of trap­ The hydrostatic pressure Δph can be expressed as follows
ping phenomena for a contraction entry angle of 90 degrees, and the trap
μm Vi Cf Li
criterion was described by a simple model which is a function of capil­ Δph = (1)
2Dh 2
lary numbers and contraction ratios. This study extends the previous
trap criterion model such that the entry angle can be taken into account. where the friction factor and hydraulic diameter are denoted as Cf =
The Laplace pressure for a given interface can be calculated using the 57.7and Dh , respectively (Munson et al., 1998). As far as the radius Rb is
Young-Laplace equation, which is defined as Δp = 2Rσ. When the droplet concerned, the numerical results, for example, Fig. 2 (a) ~ (d) suggest
enters the contraction microchannel, it is no longer a sphere, and there is that Rb increases with the entry angle α, while the contraction ratio does
a difference in radius between front and back interfaces of the droplet. In not affect Rb (result not shown). Therefore, we assume that Rb ∼ Rα. The
particular, Fig. 5 illustrates a droplet trapped at the contraction channel. front radius Rf can be assumed to be independent of α, but it can depend
According to Simon et al. (2012), to simplify the analysis, two charac­ on the contraction ratio C like Rf ∼ RC− M (Hoang et al., 2018). Hence,
teristic radii of Rb and Rf , corresponding to the back and front interfaces
the pressure difference between the front and back of the droplet is
of the droplet, respectively, are used to describe the droplet shape. The expressed as follows:
Laplace pressures at the back interface and front interface of the droplet ( )
are Δpb and Δpf , respectively. As a result, Δp = Δpf − Δpb is the pressure σ A1
Δp = A0 C M − (2)
difference between the front and back of the droplet, and it can be R α
( )
written as Δp = σ R1f − R1b . Δph stands for the hydrostatic pressure Therefore, at the critical limit where Δph = Δp, the critical Ca of the

Fig. 7. The trap, squeeze regimes depending on the contraction ratio C and entry angle α with λ = 0.15, Ca1 = 0.0025.

5
V.T. Hoang et al. International Journal of Multiphase Flow 167 (2023) 104543

Fig 8. The diagram to define the deformation and position of droplet.

Fig. 9. The influence of the viscosity ratios and entry angle on the deformation of a droplet in the contraction microchannel. The capillary number Ca2 = 0.1 and the
Contraction ratio C = 1.25.

transition between trap and squeeze can be derived as follows: transition mentioned above is observed within a limited range of the
( ) contraction ratio from 1.36 to 1.56. When the contraction ratio is out of
2Dh 2 A1
Ca1c = A0 C M − (3) that range, the droplet will be either trapped or squeezed, independent
Cf L i R α of the entry angle. Ca1 is used to characterize droplet dynamics at the
A fitted curve of Eq. (3) to the data points shown in Fig. 4 is also transition from trap to squeeze, but it is too small to capture the breakup
plotted in the same figure. The fitted parameters are: M of 0.054, coef­ regime in this case.
ficient A0 of 0.016 and coefficient A1 of 0.001. The trap criterion model
could well fit the numerical results. 3.5. Droplet deformation

3.4. The effect of the contraction ratio and entry angle The deformation and position of a droplet in a contraction micro­
channel is defined according to the dimensions shown in Fig. 8. The
Fig. 6 is a snapshot illustration of the trap and squeeze phenomenon deformation of a droplet is defined as Ld /D, where the droplet length Ld
depending on the contraction ratio and entry angle. The viscosity ratio is measured from the back interface to the front one and D = 2R. The
and capillary number are set to 0.15 and 0.0025, respectively. It is droplet position is defined as Zd = (Zb + Zf )/2, where Zb and Zf are
shown that the droplet can be trapped by increasing the contraction the back position and the front position of the droplet, respectively. The
(Fig. 6(a) and (b), Fig. 6(e) and (f)). This is consistent with the previous capillary number Ca2 characterizes droplet dynamics in the contraction
studies on the trap mechanisms of Simon et al. (2012) and Hoang et al. microchannel.
(2018). Also, we can see that the droplet is trapped as the entry angle is Fig. 9 shows the droplet deformation for a variety of values of the
increased (Figs. 6(b) ~ (e)). In other words, even though the contraction viscosity ratio and entry angle when the capillary number Ca2 is 0.1 and
ratio C is large, the droplet can still be squeezed and flow downstream as the contraction ratio C is 1.25. In general, the viscosity ratio does not
the entry angle is reduced. significantly affect the position at which droplet deformation reaches
Fig. 7 depicts an overall map of trap and squeeze regimes depending the steady state. However, an overshoot of the deformation is not found
on contraction ratios and entry angles. Actually, the trap-squeeze when the viscosity ratio is high, i.e., there is no retraction behavior when

6
V.T. Hoang et al. International Journal of Multiphase Flow 167 (2023) 104543

Fig. 10. The influence of capillary number and entry angle on the deformation of a droplet for viscosity ratio of 2, contraction ratio of 1.25.

Fig. 11. Types of droplet breakup in the contraction microchannel: C = 1.25, α = 15◦ , λ = 0.15.

the viscosity ratio is larger than around 10. In this regard, retraction alpha is 45 degrees, the viscosity ratio is 2. In general, the droplet ex­
behavior occurs for the specific microchannel geometry and the fixed periences stretching and retraction at low capillary numbers as shown in
capillary number, but it still strongly depends on the initial droplet the cases of Ca2 = 0.1 and 0.3, whereas more continuous elongation and
shape, capillary number, and viscosity ratio (Cubaud, 2009). Hence, the breakup occur later after the retraction at high capillary numbers like
influence of these parameters should be rigorously investigated in the Ca2 = 0.4.
contraction microchannel for further study. Furthermore, droplet Depending on Ca2 and C, a droplet will exhibit one of three types of
deformation at steady state largely increases with the viscosity ratio in interfacial events in the breakdown regime of the contraction micro­
the contraction microchannel. channel. The droplet in the first type, as seen in Fig. 11 (a), forms a tail
As far as entry angle is concerned, Fig. 9 also describes droplet which later breaks up into a small daughter droplet. The second type is
deformation around the contraction region for a viscosity ratio of 0.15. It depicted in Fig. 11 (b), where the breakage results from the tearing of
is obvious that droplet deformation at steady state does not depend on the interface around the middle of the droplet. These types are found in
the entry angle. In general, a larger entry angle results in greater smaller capillary numbers. For large capillary numbers, as shown in
deformation in the contraction region. This is because, as the contrac­ Fig. 11 (c), the droplet strongly deforms into a thin tail and then larger
tion angle is large, the extensional flow becomes more dominant than daughter droplets are separated from the mother droplet.
the shear one at the contraction region. In addition, it is noted that at
large entry angles, droplet deformation tends to reach a steady state 4. Conclusion
sooner before going to the contraction microchannel. The extensional
flow, which is localized at the contraction region, becomes narrower as In this work, the effects of entry angle, capillary number, and vis­
the entry angle increases, and, therefore, the retraction of the deformed cosity ratio on droplet dynamics in a planar contraction microchannel
droplet can take place earlier for a larger entry angle. were examined. First, three regimes of trap, squeeze, and breakup have
Fig. 10 describes droplet deformation as a function of droplet posi­ been investigated with a particular emphasis on the effect of the
tion depending on the capillary number and entry angle. The entry angle contraction geometry and capillary number. A simple theoretical model

7
V.T. Hoang et al. International Journal of Multiphase Flow 167 (2023) 104543

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Van Thanh Hoang: Conceptualization, Methodology, Investigation,
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