Combustion Science and Technology

ISSN: 0010-2202 (Print) 1563-521X (Online) Journal homepage: https://www.tandfonline.com/loi/gcst20

Numerical Simulation of Multidimensional Modes

of Gaseous Detonation

Vladimir A. Levin, Ivan S. Manuylovich & Vladimir V. Markov

To cite this article: Vladimir A. Levin, Ivan S. Manuylovich & Vladimir V. Markov (2016) Numerical
Simulation of Multidimensional Modes of Gaseous Detonation, Combustion Science and
Technology, 188:11-12, 2236-2249, DOI: 10.1080/00102202.2016.1220682

To link to this article: https://doi.org/10.1080/00102202.2016.1220682

Published online: 28 Oct 2016.

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COMBUSTION SCIENCE AND TECHNOLOGY
2016, VOL. 188, NOS. 11–12, 2236–2249
http://dx.doi.org/10.1080/00102202.2016.1220682

Numerical Simulation of Multidimensional Modes of Gaseous

Detonation
Vladimir A. Levina, Ivan S. Manuylovicha, and Vladimir V. Markova,b
a
Institute of Mechanics of the Moscow State University, Moscow, Russia; bSteklov Institute of Mathematics,
Russian Academy of Sciences, Moscow, Russia

ABSTRACT ARTICLE HISTORY

Processes observed in experiments with the initiation and propaga- Received 16 November 2015
tion of divergent detonation in a narrow gap between plates was Revised 28 April 2016
simulated. The detonation wave is formed in a round tube adjoined Accepted 2 May 2016
to one of the plates at a right angle. Complicated cellular structures KEYWORDS
of the 2D detonation have been obtained. The process of formation Cellular structure; Cylindrical
of 3D cellular detonation in channels of square, rectangular, circular, channel; Gaseous
and elliptical cross sections was studied. The process of spontaneous detonation; Numerical
formation of spin detonation in channels of circular cross section was simulation; Spin;
considered. Calculations of the transition of spin detonation to the Supercomputer
channel of larger or smaller diameter were conducted and conditions
of self-sustained spin detonation were formulated. Detonation is
initiated in a quiescent combustible mixture by an instantaneous
homogeneous electric discharge in a finite-width zone near the flat
closed end of the channel. All computations of 3D detonation were
performed in a correct formulation for the entire channel of large
length (1 m) rather than only in a certain zone moving together with
the wave.

Introduction
At present, the ability to reproduce the flow cellular structure beyond a detonation wave is
considered to be an important property characterizing the quality of numerically modeling
processes in chemically active mixtures. Without a doubt, cellular detonation is a com-
plicated process, a study of which is not yet complete. This is associated with the
instability of the combustion zone beyond the front shock, which promotes the rise of
small perturbations. Thus, by virtue of the strong nonlinearity of the process, spatial flow
with transverse waves is formed beyond the front shock, which is accompanied by front
kinks (Mitrofanov, 1982). In this case, triple points in the kinks of the 2D detonation wave
front are accompanied by traces in the form of diamond-shaped cells. In experiments, they
can be observed on a smoky plate, whereas in numerically modeling, they manifest
themselves as points of pressure maxima in the calculation region.
The problem, on which this work is focused is to show what structures can be obtained
by numerical simulation of the detonation. For this purpose we examined several
problems.

CONTACT Ivan S. Manuylovich ivan.manuylovich@gmail.com Institute of Mechanics, MSU, Michurinsky pr. 1,

Moscow 119192, Russia.
© 2016 Taylor & Francis
 COMBUSTION SCIENCE AND TECHNOLOGY 2237

The problems presented by us are posed and solved for the first time. We are not aware
of any publications on the calculation of divergent detonation in considered formulation.
A detailed study of the 3D structure of detonation in channels of rectangular, circular, and
elliptical cross section is carried out in this article. It was shown that, with decreasing of
the width of a rectangular channel, the chaotic structure is transformed to a regular 2D-
like structure. The stability of spin detonation in a circular channel was studied for the
first time at the transition of spin detonation to the channel of larger or smaller diameter.

Cellular structure of divergent cylindrical detonation waves

Previously, a number of authors have performed theoretical studies devoted to forma-
tion and propagation of the 2D cellular detonation in channels. Among these studies,
flows with divergent detonation waves, which were investigated by R.I. Soloukhin in
his brilliant experiments (Soloukhin, 1963), are of particular interest. Numerical
simulation of cellular divergent detonation is a time-consuming problem by virtue of
the necessity to perform high-resolution calculations in a vast spatial region for narrow
chemical-reaction zones.
In the present article, we simulate processes observed in experiments with the initiation
and propagation of divergent detonation in a narrow gap between plates. The detonation
wave is formed in a tube adjoined at a right angle, and this gap passes therein through a
circular hole. As is evident, by virtue of the complicated geometry of the flow region, the
actual phenomenon is of a 3D nature.
It is worth noting that flow inside the tube is close to a 1D one, and the size of the inter-plate
gap is sufficiently small. Therefore, transverse waves propagating in the direction normal to the
plates are absent, and the 2D divergent cellular detonation is realized within the gap. In
connection with the properties of the process noted above, we consider its 2D model further.
We now assume that, at the initial instant of time t ¼ 0, a gas mixture is placed into a
circle of small radius r ¼ 0:03 m with its center at the origin of the Cartesian coordinate
system. The parameters of gases correspond to those of products beyond the 1D self-
sustained detonation wave. Outside of the circle, we deal with the quiescent stoichiometric
propane-air mixture of pressure, density, and temperature p0 , ρ0 , and T0 , respectively. For
t>0, under the action of expanding chemical reaction products, there arises a divergent
flow accompanied by a shock wave. The wave maintains until it is transformed to the
detonation wave.
While simulating the 2D flow, we assumed that, at the initial instant of time, hot
detonation products begin to flow out through the boundary of the circle at the normal
direction. For a short interval of time τ sufficient to form the self-sustained detonation
wave, these products are accumulated in the steady mode.
In order to describe the plane unsteady flow, we employ the set of gas-dynamic
equations for a multicomponent reacting mixture, which is written out in the Cartesian
coordinate system:
2238 V. A. LEVIN ET AL.



@ρi @ ρi u @ ρi v
þ þ ¼ ωi
@t @x @y
@ ðρuÞ @ ðp þ ρu2 Þ @ ðρuvÞ
þ þ ¼0
@t @x @y
@ ðρvÞ @ ðρuvÞ @ ðp þ ρv2 Þ
þ þ ¼0
@t @x @y
@ ðH  pÞ @ ðHuÞ @ ðHvÞ
þ þ ¼0
@t @x @y
XN
u2 þ v 2 XN
H¼ ρi hi þ ρ ; ρ¼ ρi
i¼1
2 i¼1

Here, p and ρ are the pressure and density of the mixture, u and v are the velocity
components along the x and y axes, N is the number of components of the mixture, ρi and
hi are the density and enthalpy of the ith component, ωi is the variation rate of ρi under
chemical reactions, and H is the total enthalpy.
The thermal and calorimetric equations of state for the mixture are of the form:
X
i¼1

p¼ ρi =μi R0 T; hi ¼ c0i þ cpi T; i ¼ 1; . . . ; N
N

Here, T is temperature, μi are molar masses of the components, c0i , cpi are constants, and
R0 is the universal gas constant.
We analyze the stoichiometric propane–air mixture consisting of propane, oxygen, and
nitrogen in the molar proportion νC3 H8 ¼ νO2 ¼ νN2 ¼ 1,5,20. The propane combustion
is simulated in the framework of single-stage kinetics (Westbrook and Dryer, 1984), which
corresponds to the equation:
C3 H8 þ 5O2 þ 20N2 ! 4H2 O þ 3CO2 þ 20N2

and values of ωi are determined from the relationships:

  !a !b
ωC3 H8 ωO2 ωH2 O ωCO2 β E ρC3 H8 ρ O2
¼ ¼ ¼ ¼ AT exp  ; ωN2 ¼ 0
μC3 H8 5μO2 4μH2 O 3μCO2 R0 T μC3 H8 μ O2

where the subscripts i are replaced by the symbols of mixture components and A, E, a, b,
and β are constants.
The governing parameters of kinetics for the propane-oxygen one-step reaction were
calibrated using private data on induction time and time of heat release.
The calculation is performed in the first quadrant with the impermeability boundary
condition on the axes. The numerical investigation is carried out by the modified
Godunov method (Godunov et al., 1976), which is implemented in an original software
package, the “virtual experimental installation” intended for solving a wide circle of
problems related to cellular detonation. We used the Godunov method for calculation
of all multidimensional flows presented in the article. The Godunov method was
 COMBUSTION SCIENCE AND TECHNOLOGY 2239

implemented successfully for calculations of various problems associated with shock waves
and detonation waves (Levin and Markov, 1974; Levin et al., 2002, 2005). We applied
calculation meshes of two types. The first one was the radial mesh formed by circumfer-
ences and straightforward rays going out of the origin. The second mesh was rectangular
almost everywhere except for a special small zone and had mesh lines that gradually
transformed from a circular arc to a quarter of a square. Over both coordinates, the size of
cells was, on average, 0.1 mm in the entire 1.5 m calculation region. It is well known that a
mesh that allows resolving the induction zone and the reaction zone behind the leading
wave is required for adequate numerical modeling. This condition is satisfied in our study.
The well-known Godunov scheme applied in calculations allows the use of meshes of
various geometries. Fine meshes with enough resolution have been used, such that an
increase in the amount of cells did not change the results. Below we demonstrate the
results obtained for the values of the parameters: r ¼ 0:03 m, p0 ¼ 1 atm, and T0 ¼ 20 C.
Figure 1 shows for comparison (a) the experimental diagram taken from Soloukhin
(1963) and (b) the calculated diagram for traces of triple points in the case of the
propagating divergent cylindrical detonation wave. The good consistency observed con-
firms the adequacy of the 2D model for the description of the 3D process and shows the
satisfactory quality of the numerical experiment. Figure 1 illustrates the formation of the
cellular structure during detonation propagation. This occurs spontaneously by virtue of
the development of small perturbations caused by data rounding during calculations, due
to the instability of both the combustion zone and the entire process as a whole.
Traces of the triple points form a net in which zigzags with kinks at points of collisions
of transverse waves and spirals twisted in two opposite directions are recognized.
If the intensity of detonation wave in the tube is insufficient, the cells do not arise, and
the detonation decays. If the detonation intensity exceeds a certain value, then the cellular
structure is formed. However, for small supercritical values, the detonation tends to decay
at the initial stage. After some time the detonation is transformed to the self-sustained

Figure 1. Traces of triple points beyond the divergent cylindrical detonation wave: (a) experimental
data and (b) calculation results.
2240 V. A. LEVIN ET AL.

mode. This situation is confirmed by the nonuniform wave pattern illustrated by Figure 2,
where experimental and calculation wakes for triple points are presented.

3D cellular detonation in channels of constant cross section

In this work we also simulated in the 3D unsteady formulation the process of spontaneous
formation of the 3D detonation structure observed in experiments and its propagation in
the channels of square, rectangular, circular, and elliptic cross sections. We investigated in
detail the process of spontaneous increase in small perturbations and the transformation
of the 1D flow into the flow with the substantial 3D detonation structure, which is called
cellular by analogy to the 2D case.
The numerical modeling is carried out on the basis of the set of Euler equations for an
ideal multicomponent reacting mixture in a motionless Cartesian system of coordinates:




@ρi @ ρi u @ ρi v @ ρi w
þ þ þ ¼ ωi
@t @x @y @z
@ ðρuÞ @ ðp þ ρu2 Þ @ ðρuvÞ @ ðρuwÞ
þ þ þ ¼0
@t @x @y @z
@ ðρvÞ @ ðρuvÞ @ ðp þ ρv2 Þ @ ðρvwÞ
þ þ þ ¼0
@t @x @y @z
@ ðρwÞ @ ðρuwÞ @ ðρvwÞ @ ðp þ ρw2 Þ
þ þ þ ¼0
@t @x @y @z
@ ðH  pÞ @ ðHuÞ @ ðHvÞ @ ðHwÞ
þ þ þ ¼0
@t @x @y @z
X N
u2 þ v2 þ w 2 XN
H¼ ρi hi þ ρ ; ρ¼ ρi
i¼1
2 i¼1

Figure 2. Wakes of triple points beyond the divergent cylindrical detonation wave in the case of
tendency to decay at the initial stage: (a) experimental data and (b) calculation results.
 COMBUSTION SCIENCE AND TECHNOLOGY 2241

Here, w is the velocity component along the z axis, and the other notations coincide
with those given above.
As the boundary conditions on solid boundaries, we use the impermeability condition.
As a combustible mixture, a propane-air mixture is used, for which the same one-stage
kinetics are assumed.
The numerical investigation is carried out with message passing interface (MPI)
parallelization via the original software package mentioned above. The calculations have
been performed on the Lomonosov supercomputer (Voevodin et al., 2012) at Moscow
State University, with computational grids containing up to 10 billion cells.
Below we present the results of virtual experiments for channels of 1 m in length and of
various shapes and sizes of the set cross section. In order to simulate correctly and study
the laws of transformation of detonation, we carried out the calculations in the entire
space of the 3D channel instead of only within its part containing the detonation wave.
The detonation of a stoichiometric propane-air mixture at rest was considered at the
pressure p0 ¼ 1 atm and the temperature T0 ¼ 300 K. It was assumed that the detonation
is initiated by an instant uniform supply of energy in the 3-cm zone near the closed end of
the channel (0<z<3cm).
The flow structure was reflected in the spatial numerical soot foil diagrams and
analyzed from these diagrams on the cross sections of the channel and on its lateral
surface.
According to the calculations, it is first the 1D plane detonation wave that propagates in
the mixture along the axis z as a result of the initiation. Under the action of small
perturbations present in the numerical calculations, the detonation gradually acquires an
irregular 3D cellular structure for a reasonably large cross section of the channel.
One of the series of calculations was carried out for 3D channels with the rectangular
cross section Hx  Hy with the sizes Hx and Hy in the range from 1 to 20 mm on the
Cartesian grid with a constant step. The effect of the channel size along the third
coordinate on the flow was considered, and the limiting transition Hx ! 0 was carried
out at Hy ¼ 20 mm for this purpose. The calculations showed that the 2D cellular
structure of the detonation is implemented for a certain small Hx . For example, the
numerical soot foil diagram on one of the surfaces of the 3D channel in the plane yz at

Figure 3. Numerical soot foil diagram for Hx ¼ 1 mm and Hy ¼ 20 mm on one of the surfaces of the
3D channel.
2242 V. A. LEVIN ET AL.

Hx ¼ 1 mm (Figure 3) practically did not differ from a similar diagram obtained in the 2D
calculation.
However, already at Hx ¼ 1 mm at a certain distance from the origin of the cellular
structure, we observed a weak dependence of the gas dynamic parameters on the coordi-
nate x. For Hx ¼ 2 mm and Hy ¼ 10 mm, the soot foil diagram on the wide sides of the
3D channel proved to be very smeared, and the flow parameters along the axis x were
substantially variable.
According to the calculations, it is the principally 3D cellular detonation structure with
the transverse waves propagating in the cross-section plane that is implemented in the
channels with reasonably large sides Hx and Hy . In this case, the shape of traces on the
channel surface differs from the rhomboid one, but remains periodic, although “chaotic.”
In Figure 4, we show the numerical soot foil diagram on the surface of the channel with
the square cross section with Hx ¼ Hy ¼ 10 mm and its fragments on two sides parallel to
the planes xz and yz.
According to the calculations, the front of the head shock wave has several breaks
moving along it during its propagation, while the flow behind it has a very complex
structure. In particular, a burning front of a complex shape is observed behind it
enveloping individual unburned volumes of the propane-air mixture.
A large series of calculations was carried out for the channels of elliptic and, in
particular, circular cross section. For reasonably large lengths of ellipse semi-axes a and
b, we observed an irregular chaotic cellular structure of transverse waves. Figure 5
illustrates the cellular structure for the channel of round cross section with a ¼ b ¼ 10
mm. We show the soot foil diagram on the 3/4 lateral surface of the channel and on two
internal perpendicular planes.
The strong accumulation of transverse waves near the channel generatrices passing
through the ends of the large axis of the elliptic cross section (Figure 6) is inherent for the

Figure 4. Numerical soot foil diagram on the surfaces of the square cross-section channel and its
fragments for Hx ¼ Hy ¼ 10 mm.
 COMBUSTION SCIENCE AND TECHNOLOGY 2243

Figure 5. Initiation of the 3D cellular detonation in a channel of round cross section with a ¼ b ¼ 10 mm.

Figure 6. Slice z ¼ 0:5 m of 3D soot foil diagram obtained for the elliptic channel with a ¼ 10 mm,
b ¼ 5 mm.

3D detonation in the channels of the elliptic cross section. It is related to the larger
curvature of the surface near the straight lines indicated.
According to the calculations, regardless of the form of channel cross section, the 3D
structure is realized for a sufficient extent of the cross section along two coordinates. This
structure has an irregular, chaotic nature due to the detonation instability and to the propaga-
tion of transverse waves behind the head front in arbitrary directions parallel to the front.

Formation of spin detonation in channels of circular cross section

In this study we also present the results of computing experiments on the virtual experimental
installation intended for solving problems on the formation and propagation of spin detona-
tion in pipes of circular cross section. We simulated the process of spontaneous formation of
spin detonation observed in experiments and its propagation in circular pipes. The
2244 V. A. LEVIN ET AL.

phenomenon is considered in the 3D unsteady formulation with the 1D initial distribution of

parameters. The process of spontaneous increase in small perturbations and transformation of
the flow into the 3D steady flow with spin detonation is investigated in detail.
The results of calculations for channels of 1 m in length and with various diameters D
are presented below. The calculations were carried out in the entire space of the 3D
channel instead of only in the part containing the detonation wave. It enabled us to
simulate and study correctly the features of transformation of the detonation structure
during its propagation. The detonation in the stoichiometric propane–air mixture at rest
was investigated at the pressure p0 ¼ 1 atm and the temperature T0 ¼ 300 K. It was
assumed that the detonation is initiated by an instant homogeneous supply of energy in
the 3-cm zone near the closed end of the channel (0<z<3 cm).
According to the calculations, the 1D detonation plane wave propagated after initiation
over the mixture along the axis z. Previously, we showed that, for a reasonably large
channel diameter, the motion of the 1D detonation wave is accompanied by the growth of
small perturbations because of its instability, which is always present in the numerical
calculations. As a result, the 1D detonation gradually acquires an irregular 3D cellular
structure. The calculations for various values of the channel diameter D were carried out,
and the ranges of this parameter corresponding to various flow modes were determined. It
was established that, at D<2 mm, the detonation remains practically one-dimensional. At
2<D<4:5 mm, weak transverse waves are gradually formed. However, no distinct flow
pattern with spin detonation is generated because of the small intensity of these waves
even at a distance of 1 m from the zone of initiation of the detonation. According to the
calculations, the detonation is transformed into the 3D irregular cellular one at D>9 mm.
At 4:5<D<9 mm, the 1D detonation is gradually transformed into the spin one.
According to the calculations, the spontaneous transformation of the 1D detonation
into the spin one passes through four phases: (i) the propagation of the 1D detonation
wave with increasing perturbations introduced because of the limited accuracy of arith-
metic operations; (ii) the detonation with an irregular chaotic 3D structure related to the
presence of intense transverse waves; (iii) the phase of the gradual transformation of
transverse waves in one rotating transverse detonation wave; and (iv) the spin detonation
in which its front uniformly rotates around the axis of symmetry moving along it.
In Figure 7, we show the fragments of the numerical soot foil diagram at the stage of
formation of the spin detonation (the left-hand side, corresponding to z interval
23–28 cm) and at the stage of the steady spin detonation (the right-hand side, correspond-
ing to z interval 71–76 cm) in the channel of 6 mm in diameter.
Figure 8 shows the phase of the developed spin detonation at which the pressure peak is
achieved inside the channel instead of on its surface.
In Figure 9, we show the successive fragments (by 15 cm) of the convolution of the
lateral surface of the channel with the numerical soot foil diagram, which illustrates the
whole process of the spin detonation formation.

Transition of spin detonation in round channels of variable diameter

The process of spontaneous formation of developed spin detonation, which was obtained
in calculations, raised the necessity of studying the stability of spin detonation to various
perturbations. For this reason, the calculations of the transition of spin detonation from
 COMBUSTION SCIENCE AND TECHNOLOGY 2245

Figure 7. Formation of spin detonation in the circular channel with 6-mm diameter, illustrated by
numerical soot foil diagrams. Left fragment corresponds to z interval 23–28 cm, right fragment
corresponds to interval 71–76 cm.

Figure 8. Numerical soot foil diagram in cross section z ¼ 59:1 cm of the channel, which corresponds
to the stage of developed spin detonation.

the 6-mm diameter channel to the channel of larger or smaller diameter D through a short
section of conical shape have been conducted. Calculations have shown that there is a
range of values of D such that the spin detonation maintains or recovers. Figure 10 is
presented to compare 3D views of different channel fragments with numerical soot foil
diagrams upon spin detonation exiting the 6-mm channel and entering channels with
diameters of 4, 5, 8, and 10 mm. The first image on Figure 10 shows that, at the transition
from channel to channel, the regular structure is temporarily lost and then is restored with
an opposite direction of rotation. On the second image from the top, one can see the spin
detonation during its transition from a 6-mm to 5-mm channel. The image shows that
spin detonation is slightly disturbed. The third image shows the numerical soot foil
2246 V. A. LEVIN ET AL.

Figure 9. Numerical soot foil diagram on the convolution of the lateral surface of the channel for spin
detonation in the circular channel.

Figure 10. Fragments of channels with numerical soot foil diagrams upon spin detonation exiting the
channel of 6-mm diameter and entering channels with diameters of 4, 5, 8, and 10 mm.
 COMBUSTION SCIENCE AND TECHNOLOGY 2247

diagram upon spin detonation transition from a 6-mm to 8-mm channel. There is a
temporary disappearance of the spin structure of detonation. Figure 11 shows the sweep of
the lateral surface of the channel coated with numerical soot foil. The entire diagram is cut
into several sequential pieces of 15-cm length. One can see in detail how the spin
detonation develops (the first four fragments), then temporarily decays (fragment 5) and
recovers (fragment 6). The sweeps of a lateral channel surface coated with numerical soot
foil clearly demonstrate the traces left by transverse waves on the surface of the channel
and the stages of spin detonation formation. Developed spin detonation can be identified
by periodically repeating oblique stripes. And, finally, the last image of Figure 10 illustrates
the transition of spin detonation from a 6-mm channel to a channel with a diameter of
10 mm. It shows that the spin detonation disappears.

Figure 11. Sweep of lateral surface with numerical soot foil diagram for the channel widened from 6 to
8 mm.
2248 V. A. LEVIN ET AL.

It must be emphasized that, according to calculations, the stability of the spinning

detonation under disturbances due to its transition to the channel of a greater (smaller)
diameter is investigated. It is found that the spin is preserved if the channel diameter is
smaller (or, respectively, greater) than a certain critical value.

Conclusions
Processes observed in experiments with the initiation and propagation of divergent
detonation in a narrow gap between plates has been simulated. Two different flow regimes
with cellular detonation have been observed: with regular and irregular cellular structure.
Good consistency with experiments has been shown.
The process of formation of 3D cellular detonation in channels of square, rectan-
gular, circular, and elliptical cross sections was studied. Formation of cellular structure
was spontaneous due to 1D initial distribution of gas-dynamic parameters in channels.
It was shown that transverse waves propagate in an irregular, “chaotic” way if the
width of the channel is large enough. In this case the shape of traces on the surface of
the channels is different from rhomboid.
The process of spontaneous formation of spin detonation in channels of circular cross
section has been obtained in numerical simulations with 1D initial distribution of gas-
dynamic parameters. Calculations of the transition of spin detonation to the channel of
larger or smaller diameter were conducted and the range of possible channel widths,
which lead to self-sustained spin detonation, was found.
3D cellular and spin detonation is initiated in a quiescent combustible mixture by an
instantaneous homogeneous electric discharge in a cylindrical finite-width zone near the
flat closed end of the channel.
All computations of 3D detonation have been performed in a correct formulation
for the entire channel of large length (1 m) rather than only in a certain zone moving
together with the wave. The calculations have been conducted on the Lomonosov
supercomputer at Moscow State University, with computational grids containing up to
10 billion cells.

Funding
This work was supported by the Russian Science Foundation (Grant No. 14-19-01759).

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