Implicit enthalpy solution for phase change problems: V. R.

Voller

Paper AMM 1065

An implicit enthalpy
solution for phase change
problems: with application
to a binary alloy
solidification
V. R. Voller

Mineral Resources Research Center, University of Minnesota, 56 East River Road,

Minneapolis, MN55455, USA
(Received January 1986; revised September 1986)

An enthalpy method is developed for analysis of one-dimensional

phase change problems under heat conduction. This technique is
based on a fixed space grid but a variable time step is used to ensure
thatthephasefront isalwaysonanodepoint.TheresuIting numerical
solution is implicit in nature and although iteration on the time step
is needed at each time level, the tridiagonal matrix algorithm can
be utilized within the iterations leading to efficient and accurate solu-
tions. The node-jumping scheme is extended and a numerical solu-
tion to the well-known binary solidification model developed. This
solution is implicit and performs well in respect to predicting discon-
tinuities in the enthalpy and concentration fields and in predicting
smooth non-oscillating temperature and concentration and histories.

Keywords: enthalpy method, phase change, binary solidification,

discontinuities, node-jumping

The purpose of this paper is twofold: called node-jumping scheme in which the space grid
remains fixed but the time step changes ensuring that
(1) to introduced an implicit enthalpy scheme for fast the phase change boundary is always on a node point.
and accurate solution to one-dimensional phase change This scheme requires the application of an implicit time
problems representation of the enthalpy formulation. Recently,
(2) to modify this scheme and apply it to the solution Voller,’ developed an implicit enthalpy method which
of a binary alloy solidification problem dovetails very neatly into the node-jumping technique.
It is this combination which is presented and developed
Enthalpy methods have been a popular means of in this paper.
numerically solving phase change problems for some In the first instance, the new scheme will be demon-
time.1’2 A major reason for this is that an enthalpy for- strated on a simple test problem. After this, the scheme
mulation removes the need to satisfy conditions on the will be modified to deal with a problem of a binary
moving boundary, which means that fixed domain solu- alloy solidification, a problem which involves a phase
tions can be used. Direct applications of numerical change along with coupled heat and mass transfer. The
enthalpy methods, however, may lead to results which major advantage of the node-jumping scheme when
have non-physical oscillations. Such behaviour has been applied to this problem is that in the numerical scheme
noted and analysed by a number of authors.3-6 In order there is no need to account for coupling between
to overcome, or bypass, these oscillations remedial enthalpy and concentration as is the case with previous
schemes have to be applied.2.7~s One of these is the so- numerical schemes. l&l2

0307-904X/87/02110-07/$03.00
110 Appl. Math. Modelling, 1987, Vol. 11, April 0 1987 Butterworth & Co. (Publishers) Ltd
 Implicit enthalpy solution for phase change problems: V. R. Voller

where h = CT is the ‘sensible enthalpy’, K = K/PC

is the diffusivity, and:

_,I 3 = d(AH) (4)

at

Figure 7 Control volumes is a latent heat source term. The term AH in equation
(4) is the latent heat evolved in the phase change. The
functional relationship of AH with temperature, T,
depends on the nature of the phase change. In the case
Sol id Liquid Liquid of a single temperature phase change, refer to equation
(2), then:

0 T< T,,,
AH=
0 N+l L T> T,,,

The alternative enthalpy formulation given by equation

(3) has proved to be useful in a number of respects.
In particular, in seeking implicit numerical solutions the
nonlinearity associated with the latent heat can be effec-
a AHN’ L/2 AHN+~ = L
tively dealt with via the source term, S.g

Solid Liquid
Node jumping scheme
The scheme
In the majority of physical situations, it is necessary
to solve equation (3) via a numerical method. For a
one-dimensional problem an appropriate method is that
of finite difference control volumes. The region of inter-
est is subdivided into a set of discrete nodes. With each
node there is associated a volume such that values of
variables at the node are representative of the values
b AHN= 0 AHN+~ = L/2
in the volume. Three adjacent control volumes are
Figure2 One node jump: (a) time t; (b) time (t + ST) shown in Figure 1. From this figure, the following finite
difference representation of equation (3) may be de-
rived:
The enthalpy formulation
Enthalpy, H, is defined as the sum of sensible and latent
heats. For a melting/freezing problem under conduc-
tion, the enthalpy formulation is usually written as:
where:

p% = V[K(VT)] (1) FP = [Kdkv - hp)- K_(hp- Ml (7)

where T is temperature, K conductivity and p density.
The relationship between temperatures and enthalpy
will depend on the nature of the phase change. For
example for a pure material undergoing a melting/freez-
ing phase change, all the associated latent heat is
evolved at a fixed temperature, T = T,,, and the relation-
ship is:
CT T< T,,,
H=
CT-I-L T> T,,,
where C is specified heat and L is the latent heat.
Vollerg has proposed an alternative formulation to
that given in equation (1). Essentially, the latent heat
and sensible heat terms are separated and equation (1)
written as:
$ =V(KVh) + s
Sp=AG-AH; (8)
Note that ( ) * indicates evaluation at the previous time
level, upper case subscripts, e.g. P(oint) and W(est),
indicate evaluation at a node point and lower case, e.g.
w(est) and e(ast), indicate evaluation at a control
volume face. The parameter 8 can take any value
between 0 (fully explicit) and 1 (fully implicit). For a
phase change problem, Voller9 has recently developed
an efficient and stable implicit solution of equation (6)
based on a fixed grid with fixed time step. Central to
(2) this solution technique is the interpretation of the dis-
cretized source term of equation (8). The value Sp gives
the change in the nodal latent heat AH, over one time
step and this change will be proportional to the amount
of control volume which has changed state. In the case
of a single temperature phase change in a one-dimensio-
nal region, this interpretation can be coupled with equa-
tion (6) to provide a highly efficient solution scheme.
Assume that at time t the phase front is on node point
(3) N (see Figure 2(u)). Then half the control volume will
be solid and have a latent heat value of 0. The other

Appl.Math. Modelling, 1987,Vol. 11,April 111

 Implicit enthalpy solution for phase change problems: V. R. Voller
Table 1 Node-jumping results
Positionof boundary Temperature at0.5m

Time(h) Numerical True Numerical True

12.97 0.125 0.124632 1.79821 1.79216

52.04 0.25 0.249622 0.87151 0.886201
117.18 0.375 0.374573 0.32077 0.325863
208.48 0.5 0.499617 0.0 0.00077
325.90 0.625 0.624673 -1.89248 -1.89781
469.42 0.75 0.749707 -3.19272 -3.20379
639.05 0.875 0.874734 -4.1371 -4.15167
834.78 1.00 0.99976 -4.85315 -4.86946

half will be liquid with a latent heat value of L. Hence, Example problem
the representative nodal latent heat will be: A material in a liquid state and uniform temperature
Ti = 2 > T,,, = 0 (the phase change temperature) fills
AH; = L/2
the half space x > 0. At time t = 0, the temperature
Now, assume that the numerical time step t is such of the surface at x = 0 is lowered to T, = -10 so that,
that at time t + 6t the phase front is located on the as time advances, a solid layer builds up adjacent to
N + lth node (see Figure2(b)). Hence: the wall. The material has the following thermal proper-
ties, conductivity K = 2, specific heat C = 2.5 x lo6
AH,,,+, = L/2 and latent heat L = 1O8. The solution of this problem
via the node-jumping algorithm is compared with the
and the change in latent heats in the time step in control known analytical solution in Table 1. Note that the step
volumes N and N + 1 will be: size used in these results was 6x = 0.0625 and for the
first jump from x = 0 to x = 0.0625 a fully implicit
S, = AH; - AH, = L/2 mode (f3 = 1) was used, thereafter a Crank-Nicolson
and: mode (0 = f) was adopted.
Both the results for the movement of the boundary
S ,,,+, = AH;+I - AHN+, = L/2 and temperature, given in Table 1, show that the method
is accurate. In addition, the technique is very efficient,
If the time step was always chosen to ensure that the
requiring somewhere in the order of two to five iter-
phase front always ‘jumped’ from one node to the next
ations at each time step. This means that accuracy can
in a time step the form of the source term in equation
be taken to a fairly high level simply by using more
(6) would always be known in advance. For example,
nodes.
if the phase front was on node N at the start of the
It can be argued that the problem solved in Table
time step and node N + 1 at the end:
I does not present a very severe test on the method.
ifP= NorP= N+ 1 In the next section, however, the same node-jumping
Sp = L/2 principal will be used and the technique modified to
[0 otherwise solve a binary alloy problem, a more complex problem
This fact ensures that the system of equations resulting of coupled heat and mass transfer.
from equation 6 will be linear and tridiagonal and hence
can be easily and efficiently solved by the tridiagonal
matrix algorithm. The only unknown in the system is Binary alloy problem
the time step required to jump from node to node. The The problem
value of the time step can be approximated using an
iterative procedure, with the time step modified from The binary alloy problem is that of solidification of a
one iteration to the next. The point of convergence for metal containing a small concentration of impurity
such a procedure being reached when the predicted (solute). The model of the system used here is identical
value of h at node N + 1 is: to that proposed by Crowley and Ockendon.” Modifica-
tion and application of the node-jumping scheme, how-
h N+l = CT, ever, will result in a more accurate and efficient solution
than those previously presented. The developed solu-
The node-jumping procedure may be summarized as
tion will also be, to the author’s knowledge, the first
follows:
implicit technique proposed for general treatment of
(1) phase front on node N the binary alloy problem (note the implicit scheme pro-
(2) initial guess for time step (at), = previous value posed by Whitei requires that the phase change temper-
(3) set SN and SN+i = L/2, all other Si to zero ature T, remains fixed; in general this will not be the
(4) solve equation (6) for nodal distribution of sensible case).
heat An equilibrium phase diagram for a dilute binary alloy
(5) update value of time step (via a discretized Newton is shown in Figure 3 where the liquidus and solidus lines
method on the function hN+I - CT,,, = 0, for example) are assumed to be straight. Consider a small volume
(6) repeat steps (4) and (5) until convergence, e.g. until element of binary alloy in thermodynamic equilibrium
[CT,,, - hN+,l < TOL. at uniform temperature T and overall average concen-

112 Appl. Math. Modelling, 1987,Vol.ll,April

 Implicit enthalpy solution for phase change problems: V. R. Voller

tration of solute c. If conditions are such that c + kzT In a similar manner, after the jump when the front is
> 0 (k, = (liquidus slope))‘) then the volume is in the onnodeN+ 1:
stable liquid state. If c + k,T< 0 (k, = (solidus slope)-‘)
then the element is in a stable solid state. When the CN+I = (k, + M/2 Vv+,
values of c and T are such that they correspond to a These observations can be utilized in Crank-Nicolson
point between the solidus and liquidus lines, the volume finite difference representations of equations (10) and
is undergoing the phase change and both solid and liquid (11) to give for heat:
phases, at different concentrations of solute, will be
present separated by a plane front.
If equilibrium is maintained, a discontinuity in con- hp-h;=;F;+;Fp+Sp (14)
centration at the phase front will exist such that:

T + q/k, = T + c2/k2 = 0 where A = &/6x2 and FP and Sp are defined in equations

(7) and (8), and for concentration:
i.e.:

E,V,-E;V,“=;Gb+;G, (15)
k,
Cl = -c-2 (9)
k2
where GP = [D,.,( VW - VP) - D,(V, - V,)]
This discontinuity makes the concentration similar to Under a node-jumping regime:
the enthalpy function H( 7) previously introduced. The

1
enthalpy is a function of temperature T which is conti- ifP= NorP= N-t 1
Sp= L/2
nuous at the boundary. Concentration can be made a (16)
[0 otherwise

k2
function of the chemical activity, V,” defined by:
ci = k;V; ifP>N+l

where i = 1, solid and i = 2, liquid. In this case at EP = (k, + k,)P ifP=N+l

the interface, since ci = klcz/k2, the chemical activity ifP<N
kl (17a)
is continuous, i.e. VI = V,.
Assuming heat and mass transfer in one direction,
kz ifP>N
the governing conservation equations are:
E; = (k2 + k,)/2 ifP=N

(10) k, ifP<N (17b)

When boundary conditions have been incorporated into

equations (14) and (15), the result is two tridiagonal
(11) systems which can be solved when the time step is given.
In order to close the solution, the correct time step (i.e.
where D = (mass diffusion coefficient) x ki, along with the time step which will accomplish the jump) needs
the relationships: to be found. As before, the correct time step can be
found via an iterative technique, with the point of con-
h T+ V-CO vergence reached when TN+, + V,,, = 0.
[h, h + L]H T+V=O The main steps then in applying the node-jumping
technique to the binary alloy problem are:
h+L T+ V>O (12)
(1) phase front on node N
k,Vc T+ V<O (2) set (St), = previous value
[k, V, &VI T+V=O (3) set S,v and SN+, = L/2
(4) set EN+~ and Ei = (k, + k,)/2
kzV T+ V>O (13) (5) solve equations (14) and (15) for h and V
(6) update time step
(7) repeat steps (5) and (6) until convergence, e.g.
Application of node-jumping
I%+, + V,v+,I <TOL
The basic principal involved in node-jumping is as
already outlined. That is, the time step is chosen so An immediate advantage of the node-jumping solu-
that the phase front is always on a numerical node point. tion of the binary alloy problem is the fact that there
The treatment of the heat transfer is as before. As the is no explicit numerical coupling required. In previous
phase front moves from node N to node N + 1 the numerical techniques, l’ the heat and mass solutions are
latent heat lost from control volumes N and N + 1 is coupled. To achieve this, an ancillary relationship
equal to L/2, with other latent heat losses equal to zero. between temperature and concentration is required. In
For the mass transfer, the following observations are the node-jumping approach, the nodal latent heat
made. When the front is on node N the associated con- values, equation (16) and the relationship between the
trol volume is half solid and half liquid, hence the repre- nodal concentration, cp, and chemical activity VP, equa-
sentative concentration is: tions (17), are known a priori and no explicit coupling
relationship is needed. The consistency between the
c; = (k, + k,)/2 V;
heat and mass fields is maintained by ensuring that the

~ppl. Math. Modelling, 1987,Vol. 1 l,ApriI 113

Implicit enthalpy solution for phase change problems: V. R. Voller
0.15

0.125 -

0.025 -

0 I I I
0 0.1 0.2 0.3 0.4
X
figure3 Equilibrium diagram Figure 6 Concentration profile at r = 0.02 (key as for Figure
4)

2.0L

1.0 -

I I
3 0 0.1 0.2 0.3 0.4
X
t
Figure 7 Enthalpy profile at time r = 0.02 (key as for Figure
Figure 4 Temperature history at x = 0.1; (- 1analytic; (0) 4)
node jumping

o 0.075 - l

0.05 -

0.025 -

0 1 I 1
0 0.01 0.02 0.03
t
Figure 5 Cancellation history at X = 0.1 (key as for Figure 4) Figure 8 Phase front movement (key as for Figure41

114 Appl. Math. Modelling, 1987,Vol. 11,April

 implicit enthalpy solution for phase change problems: V. R. Voller

final iterative time step is such that the sum of the pre- the surrounding control volume, a volume which is half
dicted values in the control volume changing phase are solid and half liquid, hence:
close to zero (i.e. TN+, + V,,, = 0) which is the require-
ment of the heat mass coupling. c/v = (k, + k&v/2 (18)
Another feature of the node-jumping solution is that The value cN is known, therefore V,,, can be calculated
it is implicit. Previous techniques have, in the main, and the liquid and solid concentrations on either side
been explicit so that the coupling between temperature of the front calculated as:
and concentration can be easily incorporated. The only
c, = k,V, cZ = k2V,\z (19)
other implicit technique known to the author, is that
due to White.‘” This technique, however, appears to respectively. Both of these values, as derived from the
assume that the phase change occurs at a fixed value numerical concentration when the front is on x = 0.1,
of temperature T,,, and chemical activity V,,,. This are shown in Figure 5. The sharp manner in which the
removes the need for a coupling relationship because jump discontinuity is modelled by the node-jumping
the nature of a control volume, i.e. solid or liquid can results is a notable feature. In the Crowley and Ocken-
be determined purely on the temperature value. Assum- don results (Figure 2(b) of reference 11) the numerical
ing a fixed temperature may not always be sound and concentration history indicates a smearing of the discon-
some problems may exhibit variations in the phase tinuity.
change temperature and concentration as the phase Figures 6 and 7 show the enthalpy and concentration
change proceeds. The node-jumping technique deter- profiles at time t = 0.02. Once again, these results have
mines the nature of a control volume from the sum T high accuracy and discontinuities are well modelled by
+ V, an approach that will allow for variations. similar relationships to those given in equations
(18)-(19).
Additional information which is a natural con-
An application sequence of the node-jumping method is the movement
To illustrate the application of the node-jumping binary of the front. Numerical predictions are compared with
alloy solution the test problem introduced by Crowley analytical ones in Figure 8. As with all other results,
and Ockendon” is used. A binary mixture with an equi- the accuacy is good. Furthermore, note that other
librium diagram as in Figure 3, initially at uniform tem- enthalpy-based methods will not provide a front position
perature Ti = 1 and concentration c, = 0.1 fills the half prediction quite so readily.
space x > 0. At time t = 0 the surface temperature
is lowered to T, = -1, so that phase change can com-
Conclusions
mence. It is assumed that there is no mass flow across
the surface x = 0 and the properties of the alloy are: In this paper, the enthalpy node-jumping technique for
the solution of one-dimensional phase change problems
Kr = K,= 1 k, = 1 kZ = 2
first proposed by Voller and Cross’,’ has been updated.
Specific heat, C = 1 L=l The major modification has been to incorporate the
implicit numerical enthalpy technique reported by
D,=D2=1
Voller.” This technique dovetails into the node-jumping
The latter expression implies that the mass diffusivities concept and results in an efficient solution procedure
take the values 1 for the solid and f for the liquid. for heat conduction problems which can utilize the tri-
Rubinsteini4 has proposed an analytical similarity diagonal matrix algorithm and requires few iterations
solution for the binary alloy problem. In certain cases, per time step.
however,i5 the implicit assumption made by Rubinstein The basic node-jumping technique has been extended
of a plane front breaks down and a mushy region occurs. and applied to a problem of binary alloy solidification.
For the test problem used here, no such breakdown A problem which involves both heat and mass transfer.
occurs and the Rubinstein analytical solution reported Enthalpy techniques have been applied to this problem
by Crowley and Ockendon” can be used for comparison before. In the main, however. these techniques are
purposes. explicit in nature and require an additional relationship
Solutions of the problem using a step of 6x = 0.0125 to account for the coupling between the temperature
are compared in Figures 4-8. Figure 4 shows the temper- and concentration,” or if the technique is implicit not
ature history of the point x = 0.1. The agreement always physical assumptions are required.‘” The node-
between the analytical and numerical solutions is to jumping technique presented here requires no ad-
within three significant figures. Furthermore, the oscilla- ditional relationships in that the numerical equations
tions noticeable in the results of Crowley and Ockendon are solved in an uncoupled form. The heat/mass coupl-
(Figure 2(a) of reference 11) are not present in the node- ing is then accounted for by choosing a time step which
jumping solution. Note, however, that in some later moves the tront exactly one node space. In addition,
work, Crowley,ih employing the remedial scheme of the technique is implicit, yet still applicable to a general
Tacke,” has also removed the oscillations. binary alloy problem in which the phase change temper-
Figure 5 gives the concentration history at x = 0.1. ature and concentration varies as the phase change pro-
Again the numerical results are very close to the analyti- ceeds.
cal solution and free of oscillations. The numerical Results using the node-jumping scheme appear to be
values of the concentration may be manipulated to pre- more accurate than previous methods retaining the
dict the jump discontinuity in the concentration history. expected physical behaviour especially with reference
The jump discontinuity will occur when the front is on to discontinuities and temperature history. The effi-
the node located at x = 0.1 (node N say). At this time ciency of the technique also means that accuracy may
the nodal concentration at x = 0.1 is representative of be achieved on adding more node points to the solution.

Appl. Math. Modelling, 1987 Vol. 11,April 115

Implicit enthalpy solution for phase change problems: V. R. Voller

Extension of the application of the technique to 2 Voller, V.R. and Cross, M. Application of control volume enthalpy
problems which involve properties changing across the methods in the solution of Stefan problems, in Computational techni-
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Problems in more dimensions or non-planar (i.e.
cal solution of phase change problems, In?. J. Heat Mass Transfer,
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the node-jumping approach. If a multi-dimensional 5 Voller, V.R., Cross, M. and Walton, P.G. Assessment of weak
problem is to be solved, then the shape of the phase solution numerical techniques for solving Stefan problems, Numerical
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116 Appl. Math. Modelling, 1987,Vol. 11, April