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The extension of time-marching computations to uids with arbitrary equations of state is demonstrated by
means of stability analyses, simpli ed problems, and practical applications.Most of the examples use the properties
of supercritical hydrogen for which the density varies by more than an order of magnitude for small changes in
pressure and temperature, but representative computations for incompressible uids and perfect gases are also
given to demonstrate the generality of the procedure. Because representative ow velocities in typical supercritical
uids applications are much lower than the speed of sound, convergence enhancement through eigenvalue control
is often necessary. This is accomplished through a generalization of earlier preconditioning methods that enables
ef cient computation of arbitrary equation of state uids, perfect gases, and incompressible uids by a single
procedure. The present approach thus provides a single method that is uniformly applicableto all equations of state.
A LTHOUGH computationaltechniques are widely used, nearly to an incompressible algorithm or a perfect gas algorithm in appro-
all applications to date have been limited to one of two equa- priate limits, thereby unifying all equations of state into a single
tions of state: perfect gases or incompressible uids. Further, it is procedure. The result is a single algorithm and a single code that
generally true that different codes (and frequently distinctly dif- can be employed for incompressible uids, perfect gases, or an ar-
ferent algorithms) have been employed for these two equations of bitrary equation of state uids with similar ef ciency in all regimes.
state. Time-marching techniques1 have proven to be the method of Incorporating the method in existing perfect gas codes to extend
choice for the computation of perfect gases, especially in the tran- them to arbitrary equations of state or incompressible ows is quite
sonic, supersonic, and hypersonic regimes, whereas incompress- straightforward.
ible computationshave been dominated by iterative, pressure-based
procedures.2 Both of these algorithms have been extended to ap- Equations of Motion for an Arbitrary Fluid
ply to both incompressible and perfect gas ows, but there remains The equations of motion for a general Newtonian uid with an
a preponderance of incompressible codes and compressible codes, arbitrary equation of state and variable properties can be written in
especially for time-marching algorithms. the familiar conservative form as
The necessity of having to use a different code for each equation
of state is a nuisance but, more importantly, there are many uid ¶ Q ¶ E ¶ F ¶ G
C C C D L v (Qv ) (1)
dynamic applications for which more general equations of state ¶ t ¶ x ¶ y ¶ z
must be used. Some speci c examples include supercritical uids,
refrigerants,and many types of multiphase ows. Engineeringappli- where E, F, and G represent the inviscid ux vectors and L v is the
cations in the supercritical regime are becoming more prevalent as diffusive operator. The vectors Q, E, F, and G are
improved performance causes pressure levels in many applications 0 1 2 3
q q u
to be increased. Supercritical uids exhibit much stronger com-
pressibilitythan do perfect gases, yet they have very different equa- Bq uC 6 q u2 C p 7
B C 6 7
tions of state. Similarly, applications involving refrigerant uids B C 6 7
Q D Bq vC , E D 6 q uv 7
are currently popular as manufacturers switch from uorocarbons B C 6 7
@q w A 4 q uw 5
to more environmentally friendly uids. Again, refrigerant uids
require more general equations of state. Finally, multiphase uid e (e C p)u
applications can require incompressible uid assumptions in liquid (2)
2 3 2 3
phase regions and compressible uid assumptions in vapor regions, q v q w
again requiring more general capability in the equation of state. 6 q uv 7 6 q uw 7
6 7 6 7
The present paper is aimed at applying a recently developed 6 7 6 7
F D 6 q v2 C p 7 , G D 6 q vw 7
generalized equation of state algorithm3 that not only allows these 6 7 6 2
7
4 q vw 5 4q w C p 5
Presented as Paper 96-0680 at the AIAA 34th Aerospace Sciences Meet- (e C p)v (e C p)w
ing and Exhibit, Reno, NV, Jan. 15–19, 1996; received March 10, 1997;
revision received Oct. 16, 1997; accepted for publication Nov. 17, 1997. The diffusive operator is given by
Copyright ° c 1998 by the American Institute of Aeronautics and Astronau-
tics, Inc. All rights reserved. ¶ ¶ Qv ¶ Qv ¶ Qv
¤ Professor, Propulsion Engineering Research Center; currently Profes- L v (Qv ) D Rx x C Rx y C Rx z
sor, Department of Mechanical Engineering, University of Tennessee Space ¶ x ¶ x ¶ y ¶ z
Institute, Tullahoma, TN 37388. Member AIAA.
† Assistant Professor, Department of Mechanical Engineering. Member ¶ ¶ Qv ¶ Qv ¶ Qv
AIAA.
C Ry x C R yy C R yz
‡ Postdoctoral Research Associate, Department of Mechanical Engineer-
¶ y ¶ x ¶ y ¶ z
ing, Propulsion Engineering Research Center. Member AIAA. ¶ ¶ Qv ¶ Qv ¶ Qv
§ Research Associate, Department of Mechanical Engineering, Propulsion (3)
C Rzx C Rz y C Rz z
Engineering Research Center. Member AIAA. ¶ z ¶ x ¶ y ¶ z
515
516 MERKLE ET AL.
where the dependent variable is expressed in terms of the primitive Having chosen Qv as the primary dependent variable, we use the
variables: chain rule to switch variables:
Qv D ( p, u, v, w, T ) T (4) ¶ Qv ¶ E ¶ F ¶ G
C v C C C D L v (Qv ) (7)
¶ t ¶ x ¶ y ¶ z
and the matrices Rx x , R x y , etc., contain the molecular (or turbulent)
viscosities: where the Jacobian matrix C v D ¶ Q/ ¶ Qv is easily determined by
standard procedures:
0 1
0 0 0 0 0 2 3
B C q p 0 0 0 q T
B0 4 l 0 0 0C 6 7
B 3 C 6 uq p q 0 0 uq T 7
Rx x D B B0 0 l 0 0C
C ¶ Q 6 7
B C D66 vq p 0 q 0 vq T
7
7
@0 0 0 l 0A ¶ Qv 6 7
4 wq p 0 0 q wq T 5
4
0 l u l v l w k
3 h 0 q p ¡ (1 ¡ q h p ) q u q v q w h 0 q T C q h T
0 1 (8)
0 0 0 0 0
B C Here q p D (¶ q / ¶ p) T , q T D (¶ q / ¶ T ) p , h T D (¶ h/ ¶ T ) p , h p D
B0 0 ¡ 23 l 0 0C
B C (¶ h/ ¶ p) T , and h 0 is the stagnation enthalpy. (Note that h T is the
Rx y DB
B0 l 0 0 0C
C speci c heat at constant pressure.) Other matrices of interest are
B C the Jacobians Av D ¶ E/ ¶ Qv , Bv D ¶ F/ ¶ Qv , and Cv D ¶ G/ ¶ Qv . The
@0 0 0 0 0A
two entries in the top row indicate that the continuity equation con-
0 l v ¡ 23 l u 0 0
tains temporal derivatives of both the pressure and the temperature,
which correspond to an expansion of the familiar (¶ q / ¶ t ) term.
The remaining matrices may be obtained by appropriate permuta-
The eigenvalues of Eq. (7) determine the convergence rate of any
tion. Note that the rst row and the rst column of these matrices are
time-marching algorithm. For notational simplicity, we refer only
zero, ensuringthat the diffusionterms in continuityand the diffusion
to the x component, although all directions are pertinent. For the x
of pressure are zero in the system. In these expressions,q represents
direction, the eigenvalues are obtained from the determinant
the density; p is the pressure; u, v, and w are the Cartesian velocity
components in the x, y, and z directions, respectively; and l and k C ¡1
v Av ¡k I D 0 (9)
are the viscosity and thermal conductivity. Note we have included
the Stokes hypothesis for the second viscosity coef cient. which represents a fth-order polynomial whose roots are readily
The total internal energy e is the sum of the internal energy e , the found to be
kinetic energy, and the potential energy
k D u, u, u, u § c (10)
(u 2 C v 2 C w 2 )
eDq e C C gz (5)
2 where the acoustic speed c is given by
The enthalpy h is related to the internal energy and the pressure as q hT
c2 D (11)
q T (1 ¡ q h p) C q q phT
q hDq e Cp (6)
For a perfect gas (q T D ¡q / T , q p D 1/ RT , and h T D c R/ c ¡ 1,
and can be de ned as a function of any two other thermodynamic where c is the ratio of speci c heats), the speed of sound re-
properties. Here, we choose the pressure and temperature as the pri- duces to the familiar relation c2 D c RT . For an incompressible
mary dependentvariables,so that enthalpyis given by the functional uid (q T D q p D 0), the speed of sound becomes in nite, and the
form h D h( p, T ). Note that the presence of multicomponent uids time derivatives in the continuity equation vanish so that it reduces
(such as for combustion applications) requires the extension of the to D ¢ V D 0. Again, we emphasize that the form given in Eq. (7)
enthalpy relation and equations of state to include (for example) represents the complete Navier–Stokes equations for the several
the species mass fractions. Similarly, the equation set in Eqs. (2–5) equations of state mentioned earlier.
must include additional species relations.
The only place the arbitrary uid properties explicitly change the Eigenvalue Control for Convergence Acceleration
formulationis through the equationof state. Accordingly,we specify To ensure ef cient convergence over all speed ranges and for all
an arbitrary equation of state that relates the density to the pressure
equations of state, we replace the physical matrix C v in Eq. (7) by a
and temperature, q D q ( p, T ). This state relation includes the per- preconditioningmatrix C p , which is chosen to keep all eigenvalues
fect gas law, q D p/ RT , and the incompressiblerelation,q D const,
of order unity when nondimensionalized by the particle speed. To
as special cases, but it also allows treatment of any arbitrary uid retain generality for a wide range of uids, we choose C p in a form
that uses the full functional form, as, for example, a supercritical
analogousto ¶ Q/ ¶ Qv . Speci cally, we replacethe partialderivatives
uid. (Again, combustion calculationsrequire additionalvariables.) q p , q T , h T , and 1 ¡ q h p that represent the physical uid properties
The state relation can be de ned in tabular fashion or as a closed-
by the arti cial property terms q p0 , q T0 , h 0T , and h p0 , respectively.3
form algebraic relation. In the present paper, our primary attention With this substitution, the Jacobian ¶ Q/ ¶ Qv [Eq. (8)] becomes
is on the equation of state for supercritical hydrogen.
Although the use of the conservative ux vectors E, F, and G is 0 1
highly important to ensure that global ux conservation is main- q 0p 0 0 0 q T0
B C
tained, the dependent variables that appear in Eq. (1) are not neces- B uq 0p q 0 0 uq T0 C
B C
sarily the most convenient for computational purposes. For exam- C DB 0
0 q 0 0 C (12)
p B vq p vq T C
ple, when the enthalpy is a tabular function of the temperature, it is B wq 0 0 C
@ 0 0 q wq T A
necessary to nd the temperature iteratively from the enthalpy, and p
similarly the pressure can be dif cult to infer from the variable Q in h 0 q 0p ¡ h 0p q u q v q w 0 0
h q T C q hT 0
Appropriate forms of these arti cial properties can be deduced Representative applications in which the aforementioned eigen-
from perturbation analyses of the equations of motion at low speeds value stiffness leads to convergence deterioration include combus-
and low Reynolds numbers.3 The results give tion problems in which the ow speeds are small but the density
. changes are large because of the energy release so that the full
q 0
p D min(1, Re2 )k p Vr2 , q 0
T D min(1, Re/ Pr)k T q T compressible equations must be used. (Again, this requires an ex-
(13) tension of the equation set to include species equations, but the
h 0T D h T , h 0p D 1 ¡ q h p basic framework remains unchanged.) Similarly, supercritical u-
ids with heat addition contain dramatic density changes for small
where k p and k T are quantities of order unity, Vr is an appropriate
reference velocity (typically taken as the local velocity at a grid changes in temperature, but in many applications the ow veloci-
ties are much lower than the speed of sound, and so stiffness again
point), Re is the local cell Reynolds number, and Pr is the uid
Prandtl number. The quantitiesh 0p and h 0T remain free and have been arises in a problem that must be treated as a compressible ow. Fi-
nally, incompressible ows in which the acoustic speeds are in nite
set to their physical values for convenience. Choosing k T D 0 gives
the preconditioning system we have used previously.6, 7 The appli- present insurmountable problems to an unmodi ed time-marching
scheme. The stiffness in all three of these applications is removed
cation to arbitrary equation of state uids requires that we choose
k T D 1. This also has the physical advantage in perfect gas applica- by changing the four preconditioningparameters given in Eq. (13).
For supersonic ows, where the condition number of the physical
tions that the preconditionedequationsapproachtheir exact physical
counterparts as the Mach number approachesunity. The advantages matrix is not large, it is suf cient to revert to the physical equations
and take q 0p D q p and q T0 D q T .
of this have been noted by Radespiel et al.8 Note that, by choos-
ing q 0p D q p , q T0 D q T , h 0T D h T , and h 0p D 1 ¡ q h p , we return to
Stability and Convergence
the nonpreconditioned equations where C p becomes the physical
of the Preconditioned Equations
Jacobian C v D ¶ Q/ ¶ Qv .
The eigenvalues of Eq. (7) are determined by the eigenvalues of To demonstrate the effectiveness of the generalized equation of
C ¡1 state formulation,we compareboth stabilityand convergenceresults
p Av . Replacing h T by h T and h p by 1 ¡ q h p as in Eq. (13), the
0 0
preconditioned eigenvalues become for three different uids: a perfect gas, an incompressible uid, and
p p supercritical hydrogen. The equations of state for the rst two are
K p D diag [u, u, u, u(a C b), u(a ¡ b)] (14) well known and can be described by the simple algebraic expres-
sions given earlier. The equation of state for supercritical hydrogen
where the quantities a, b, and d are given by can be represented by a Soave–Redlich–Kwong constitutive prop-
q h T (q Cq 0
C h 0p (q Cq 0 erty relation.12 A graphicalrepresentationof the density of hydrogen
p p) T T)
aD 0 0
(15a) as a function of the temperature is given in Fig. 1 for several values
0h
2(q q p T Cq T h p) of pressure. The results in Fig. 1 start from the critical pressure,
1.3 MPa, and extend up to 40 MPa, and so all of Fig. 1 is appli-
and
cable to the supercritical regime. Note that, in the region around
2
q hT q h T (q p ¡q 0
p) C h 0p (q T ¡q 0
T) 50 K, the density decreases very rapidly with temperature, going
bD 0 0
C 0 0 from values near 100 kg/m3 to around 10 kg/m3 within a few tens
u 2 (q q 0p h T C q T hp) 2(q q 0h
p T Cq T h p)
of degrees. The rate of change of density with temperature is par-
(15b) ticularly strong near the critical pressure and temperature and de-
Here h 0p represents the physical quantity 1 ¡ q h p , and q 0p and q T0 creasesas the pressureand temperatureare raisedabovetheir critical
represent the preconditioningparameters given in Eq. (13). values.
In the nonpreconditioned case (q 0p D q p and q T0 D q T ), the de- The properties needed for our generalized formulation of the
nominator in Eq. (15) becomes proportional to the speed of sound equations of motion can be interpreted directly from the plot in
squared and the quantities in Eqs. (15a) and (15b) reduce to a D 1 Fig. 1. The rate of change of density with pressure q p is propor-
and b D c2 / u 2 . Consequently, the last two eigenvalues reduce to tional to the vertical distance between the constant pressure lines.
u § c, and we recover the physical acoustic eigenvalues. When the Note that these lines are very widely spaced in the region around
preconditioning given in Eq. (13) is used, the eigenvalues remain 50 K, indicating that q p is quite large there. Similarly, the slope of
well behaved for all conditions, as is demonstrated by the stability the constant pressure lines corresponds to q T , the rate of change of
and convergence results of the next section. density with temperature, and it, too, is large near the critical point.
For an incompressible uid, q p D q T D 0, and the precondition- The fact that these propertiesare nonzero for supercriticalhydrogen
ing in Eq. (13) gives q T0 D 0. Consequently,the only time derivative is a clear indication that the uid is a compressible medium. Conse-
remaining in the continuity equation is the time derivative of pres- quently, the adaptationof a density-based,time-marchingalgorithm
sure.The presentsystemthus reducesto the arti cial compressibility
method of Chorin9 with q 0p replacing the arti cial compressibility
parameter (1/ b ). In this incompressible case, the quantities a and b
in Eq. (15) become
1 1 1
aD , bD C (16)
2 u2 q 0
p 4
which gives the same eigenvalues as the arti cial compressibility
method.10 , 11 This shows that the arti cial compressibility method
is recovered as a special case of the present procedure.
For compressible ows, the quantitiesin Eq. (15) take on the form
1 1
aD 1C 0 c2
(17a)
2 q p ¡ (c ¡ 1)
and
2
c2 / u2 1 1
bD C 1¡ 0 c2
(17b)
q 0 c2
p ¡ (c ¡ 1) 4 q p ¡ (c ¡ 1)
Fig. 2 Stability analysis of ADI algorithm for Euler equations; cen- Fig. 3 Stability analysis of preconditioned ADI algorithm for Euler
tral differencing, without preconditioning, Courant–Friedrichs–Lewy equations, CFL = 3: upper half, supercritical hydrogen, T = 50 K, p = 5
(CFL) = 3: upper half, perfect gas and M = 0.7; lower half, supercritical MPa, and u = 4 m/s; lower half, incompressible ow and u = 4 m/s.
hydrogen and u = 4 m/s.
so that Mach number is a primary parameter in computations. Ef -
would appear to be straightforward.Nevertheless,the applicationof cient convergence requires that something must be done to rectify
time-marching methods to typical supercritical hydrogen problems the stiffness that is so encountered. It is for this reason that we have
results in very slow convergence. The reason stems from the wide introduced the preconditioningmatrix in Eq. (12).
disparity between the characteristic velocities in such applications. The effects of preconditioningfor this simple case are quite dra-
It is for this reason that the generalized preconditioning described matic as shown by the ampli cation factors for the supercritical
earlier is necessary.These effects are most readily explainedby con- hydrogen case in the upper half of Fig. 3. In these preconditioned
sidering the stability characteristics for a representative algorithm. stability results, the parameter q 0p has been replacedby q 0p D k p / Vr2
As a representative example of the effect of the equation of state with k p D 1 and q T0 D q T (k T D 1). This simple changemakes the sta-
on the stability characteristics,we consider the Euler equations. To bility characteristics for the supercritical hydrogen case look quite
put the stability results into perspective, we rst compare results good. In fact, they become somewhat more favorable (that is, the
for a perfect gas with those for supercritical hydrogen when the ampli cation factors are slightly lower) than those for the nonpre-
full physical variables are used in the time derivative (no precon- conditioned M D 0.7 perfect gas case. (Compare with the upper
ditioning). For de niteness, we use central differencing in space half of Fig. 2.) The mid-wave-number ampli cation factors are in
and alternating direction implicit (ADI) approximate factorization the 0.85 range, with sharp falloff along the axes (except at the cor-
in time1 and present the magnitude of the spectral radius of the am- ners) promising ef cient convergence.As shown later, this promise
pli cation matrix obtained from a classical von Neumann analysis is realized in computations.
of the Navier–Stokes equations. The curve in the lower half of Fig. 3 shows the result of pre-
Stability results for the nonpreconditionedequations for a perfect conditioning the incompressible equations by the same procedure.
gas are given in the upper half of Fig. 2, whereas similar results for This preconditioning converts the incompressible equations to the
supercritical hydrogen are given in the lower half. [These nonpre- traditional arti cial compressibility formulation,9 but it does so in a
conditionedresults correspondto using q 0p D q p , q T0 D q T , h 0T D h T , manner that treats incompressible ow as a special case of an arbi-
and h 0p D 1¡q h p in the preconditioningmatrix C p of Eq. (12).] The trary equationof state. (As noted earlier, for the incompressiblecase
stability results for the perfect gas are computed for a ow Mach q 0p correspondsto the traditionalarti cial compressibilityparameter
number of 0.7 and a ow angle of 45 deg (v/ u D 1), whereas those 1/ b .) The stability characteristics for preconditioned incompress-
for supercritical hydrogen are for a velocity of 4 m/s, a tempera- ible ow are essentially identical to those for hydrogen even though
ture of 50 K, a pressure of 5 MPa, and the same ow angle. (Note the physical properties q p and q T are both zero. Further, when this
that Mach number is not a very suitable parameter for a liquid-like preconditioningis applied to the M D 0.7 perfect gas case in the up-
supercritical uid, and so the uid velocity is speci ed.) As can per half of Fig. 2, it, too,becomesidenticalto these results,indicating
be seen, the ampli cation factors for the perfect gas (upper half of that the preconditioning also works for perfect gases. Companion
Fig. 2) are reasonable, with damping rates of around 0.9 over most perfect gas stability results for Mach numbers ranging from 10¡5 to
of the mid-wave-number range and lower values along the coordi- transonicverify that the preconditionedampli cationfactors remain
nate axes except in the corners where the ampli cation factor goes essentially the same for all speeds. Consequently, whereas stability
to unity. These high-wave-number peaks are easily removed by a characteristics for Euler solutions are a function of Mach number
small amount of arti cial dissipation,so that, overall, these stability only for all equations of state, including incompressible ow, the
characteristics should provide reasonably good convergence. stability characteristicsof the preconditionedsystem are essentially
The stability results for the hydrogen application (lower half of the same for all Mach numbers and all equations of state and de-
Fig. 2) are, however, much different. Here, the ampli cation factor pend only on the ow angle. These examples demonstrate the ease
is nearly unity (0.9999) over almost the entire wave-number region, with which the stiffness in the Euler equations can be removed for
and the resulting convergence can be expected to be very slow. The arbitrary speeds and arbitrary equations of state.
reason for this very strong difference is that the Mach number in To demonstratethe signi cance of these stabilityresults,we apply
the supercriticalhydrogen is only M D 0.01. (The speed of sound at them rst to a simple ow eld. We consider the inviscid ow of an
these conditions is c D 400 m/s.) Low-Mach-number conditions are arbitrary uid in a straight duct at a Mach number of 0.01 and
widely known to provide very stiff eigenvalues and very slow con- look at the convergencefrom an initial condition correspondingto a
vergence. In fact, analysis of the stability relation for Euler equation small random perturbation from the exact (uniform ow) solution.
applications of any generalized uid shows that the stability char- Although this problem appears trivial, the return to uniform ow
acteristics depend only on the ow angle and the Mach number at low Mach numbers takes tens of thousands of iterations without
no matter what equation of state is used. The dif culty is that the preconditioning.With preconditioning,it converges very rapidly as
Mach number is not typicallyconsideredas a parameter in supercrit- is shown later.
ical uid applications where the velocities are almost always much Three cases are considered: 1) a perfect gas, 2) an incompress-
lower than the speed of sound. Still, time-marching methods rely ible ow, and 3) supercriticalhydrogen at 5 MPa and 50 K. Figure 4
on acoustic waves to remove errors during the convergenceprocess, displays the convergence histories for each of these cases. (The
MERKLE ET AL. 519
Fig. 7 Velocity, density, and temperature on midplane of rectangular duct as a function of axial distance.
perfect gas cases and incompressible ows have been considered to References
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Acknowledgments 263–304.
This work was supported under NASA Grants NAGW-1356,
NAS 8-3886, and NCC 8-46 from the NASA Marshall Space Flight J. Kallinderis
Center. Associate Editor