Nuclear Engineering and Design 178 (1997) 309 329

Approximate functions for the fast computation of the

thermodynamic properties of heavy water
Ahmet Durmayaz *
Institute for Nuclear Energy, Istanbul Technical Uni6ersity, Maslak, Istanbul TR-80626, Turkey

Abstract
A set of some approximate functions derived for the fast computation of the thermodynamic properties of heavy
water at saturation, in subcooled liquid and superheated vapor states is presented. To derive these functions, the data
given in the steam tables by Hill et al. AECL 7531 (1981) were accurately and successfully fitted with curves by using
the least-squares method. Specific volume (or density), specific enthalpy, specific entropy, constant-pressure specific
heat and temperature at saturation were approximated by a number of piecewise continuous functions of pressure
whereas pressure at saturation was approximated by a piecewise continuous function of temperature for heavy water.
Density in subcooled liquid state, specific volume in superheated vapor state, specific enthalpy, specific entropy and
constant-pressure specific heat in both of these states were also approximated as piecewise continuous functions of
pressure and temperature for heavy water. The correlations presented in this study can be used in the two-phase
thermalhydraulic system analysis of CANDU-PHW reactor with confidence. 1997 Elsevier Science S.A.

1. Introduction
The fast, accurate and efficient generation of
the thermodynamic properties of heavy water at
saturation, in subcooled liquid and superheated
vapor states is of importance for the design, engineering applications and LOCA analysis with the
two-phase flow models of nuclear reactors that
are cooled and/or moderated by heavy water. The
thermodynamic properties used in these analyses
are generally calculated by proper interpolation
methods (linear, hermitian, etc.) applied to the
thermodynamic tables which are stored in computer memory. These interpolation methods re* Fax:
+ 90
212
2853884;
mayaz@cekirdek.nukleer.itu.edu.tr

e-mail:

dur-

quire a search algorithm to select the proper

thermodynamic values from the tables in addition
to inputting a large amount of data. Hence, the
use of the interpolation algorithms requires considerably large computer CPU time. As an example of using the interpolation polynomials for this
purpose, the thermodynamic properties of heavy
water (D2O) were approximated by piecewise Hermite interpolation polynomials in the CATHENA
code. A more complete description of this code
(formerly called ATHENA) can be seen in
Richards et al. (1985). Additionally, a description
of the piecewise Hermite interpolation polynomials used in the code cited above can be found in
Liner et al. (1988).
The values of the thermodynamic properties
listed in the tables for heavy water by Hill et al.

0029-5493/97/$17.00 1997 Elsevier Science S.A. All rights reserved.

PII S 0 0 2 9 - 5 4 9 3 ( 9 7 ) 0 0 2 3 5 - 5

310

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

(1981) were generated from the Helmholtz free

energy function which is an analytic equation of
state. The use of the Helmholtz free energy function for this purpose was also given by Kestin et
al. (1984), by Kestin and Sengers (1986), and by
Hill et al. (1982). Equations for all thermodynamic properties can be generated by using the
combinations of appropriate derivatives of this
function. The formulation set given by these references, was also given provisional acceptance by
IAPS. However, it is very important that the
thermodynamic properties and their derivatives
based on the Helmholtz free energy function for
heavy water in subcooled liquid and superheated
vapor states are given as functions of two independent variables, namely density and temperature, which are different from the independent
variables used in the thermalhydraulic system
analysis in two-phase flows. Therefore, such kind
of formulation set is inappropriate for the twophase flow analysis.
An alternative choice is to use approximate
functions for the fast computation of the thermodynamic properties. Such kind of functions developed for light water at saturation were given by
Garland and Hoskins (1988) and for light water
in subcooled liquid and superheated vapor states
were given by Garland and Hand (1989).

Fig. 1. Specific volume and its derivative with respect to

saturation pressure for liquid phase at saturation.

Fig. 2. Density and its derivative with respect to saturation

pressure for gas phase at saturation.

In this study, a set of approximate functions for

the fast computation of the thermodynamic properties of heavy water at saturation, in subcooled
liquid and superheated vapor states is presented.
This set of functions was derived by Durmayaz
(1995) to use in the LOCA analysis for the near
stagnation flow in the fuel channel of a CANDU
reactor following a postulated small break in the
inlet feeder. Detailed information is given below
about the approximation method, which was also
used by Garland and Hoskins (1988) and by

Fig. 3. Specific enthalpy and its derivative with respect to

saturation pressure for liquid phase at saturation.

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

Fig. 4. Specific enthalpy and its derivative with respect to

saturation pressure for gas phase at saturation.

Garland and Hand (1989), and about the set of

formulation.

2. Approximation method
The data given in the steam tables by Hill et al.
(1981) for the thermodynamic properties of heavy
water at saturation, in subcooled liquid and superheated vapor states were accurately and successfully fitted with curves by using the

Fig. 5. Specific entropy and its derivative with respect to

saturation pressure for liquid phase at saturation.

311

Fig. 6. Specific entropy and its derivative with respect to

saturation pressure for gas phase at saturation.

least-squares method in order to obtain some

appropriate functions. The approach used in developing these correlations is to minimize the sum
of the squares of the deviations from the data
given in the reference steam tables. During the
curve fitting operations, the pressure or temperature range for each of the properties at saturation
and the pressure-temperature ranges for each of
the properties in single-phase liquid or vapor

Fig. 7. Constant-pressure specific heat and its derivative with

respect to saturation pressure for liquid phase at saturation.

a1
1.53382105
8.04535107
1.25556106
0.0
0.0
7.77743108
4.66827108
2.723107
7.60621106
9.60015108
1.63387107

a0

9.094724
9.02885104
9.0233104
8.93311104
9.10067104
9.54471104
9.8243104
1.5385104
0.03405359
1.76534103
1.9094195103

1.73177105
6.88692108
3.83732108
0.0
0.0
1.797581011
3.423241012
1.731011
6.63771010
1.139371011
1.699351011

a2
9.73029106
8.91942109
9.855861010
0.0
0.0
3.864141015
3.263241016
4.3541016
2.575631014
1.079811014
1.802081013

a3

Table 1
Coefficients and exponents used in Eq. (7) for 6f for different ranges of use

2.81207106
2.59831010
1.465531011
0.0
0.0
4.558421019
1.524251020
0.0
3.780831019
6.048771018
1.731471016

a4

3.28914107
3.917031012
9.182391014
0.0
0.0
2.257461023
3.49641025
0.0
0.0
2.604171021
8.463541020

a5

0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
18990
20190

0.0
0.0
0.0
7.28531106
3.33776106
0.0
0.0
0.0
0.0
0.0
0.0

0.0
0.0
0.0
0.4086
0.5023
0.0
0.0
0.0
0.0
0.0
0.0

0.66015PsatB2.0
2.05PsatB10.0
10.05Psat546.0
46.0BPsat5450
450BPsatB1500
15005Psat54500
4500BPsat515 000
15 000BPsat516 900
16 900BPsatB19 000
19 0005Psat520 200
20 200BPsat521 400

Range of use (kPa)

312
A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

a1
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
7.76793109
0.0185614
0.0336707

a0

3.2994105
1.15324104
4.8516104
8.73104
0.0196598
0.0819914
0.29913
0.802615
1.92642
4.081
7.1843
12.35935
19.77916
30.2155
43.4059
6.22103
155.798
198.348
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
3.91761107
2.01152106
8.96932106

a2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
6.776441011
1.034211010
4.48501108

a3

Table 2
Coefficients and exponents used in Eq. (8) for rg for different ranges of use

0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
6.956231015
1.952291013
4.4461011

a4
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1.907531019
0.0
1.746571014

a5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
18190
19990

8.5578103
8.62546103
8.76874103
8.67814103
8.04154103
6.98252103
5.21521103
3.38581103
1.69952103
6.256104
1.846104
3.02275105
2.55289106
7.40474108
5.847471010
0.0
0.0
0.0

0.9459
0.9416
0.9365
0.9382
0.9498
0.9691
1.0057
1.05632
1.1333
1.2407
1.3687
1.5549
1.8059
2.1623
2.647
0.0
0.0
0.0

0.66015Psat52.0
2.0BPsat57.5
7.5BPsat550.0
50.0BPsatB250
2505Psat5500
500BPsat51000
1000BPsatB1950
19505Psat53000
3000BPsatB4800
48005PsatB6500
65005Psat58300
8300BPsatB10 400
10 4005PsatB12 400
12 4005PsatB14 400
14 4005Psat515 900
15 900BPsatB18 200
18 2005Psat520 000
20 000BPsat521 200

Range of use (kPa)

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

313

314

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

Error= 100

Fapp Fref
(%)
Fref

(1)

while Fapp is the value of any thermodynamic

property calculated by using the approximation
functions and Fref is the value of the same property seen in the reference steam tables.

2.1. Properties at saturation

Fig. 8. Constant-pressure specific heat and its derivative with

respect to saturation pressure for gas phase at saturation.

states were divided into several subregions to

obtain higher accuracy since it was observed that
any given property could not be fitted accurately
over the entire range with a single function. Special care was also taken to ensure that the slopes
of the fitted curves are continuous across the
boundaries since discontinuities in the slopes can
cause undue distortions at the boundaries of the
subregions.
The error for each approximate function is also
defined as:

Fig. 9. Saturation temperature and its derivative with respect

to saturation pressure.

The properties at saturation can be represented

by a number of functions containing only one
independent variable: pressure or temperature. In
this study, specific volume (or density), specific
enthalpy, specific entropy, constant-pressure specific heat and temperature at saturation were approximated by a number of piecewise continuous
functions of pressure whereas pressure at saturation was approximated by a piecewise continuous
function of temperature for heavy water.
Some of these properties obtained by piecewise
continuous functions and their derivatives with
respect to pressure are plotted in Figs. 19. It can
easily be seen that each of these functions and
their derivatives gives a smooth continuous curve.

2.2. Subcooled liquid state

In subcooled liquid state, density, specific enthalpy, specific entropy and constant-pressure specific heat were approximated by some piecewise
continuous functions of pressure and temperature.
If pressure and specific enthalpy are considered as
the independent variables, first, temperature is
computed from the specific enthalpy correlation,
Eqs. (18) and (18a), in subcooled liquid state by
using root finding algorithms such as Newton
Raphson or Regula Falsi methods. Then, the
other properties are computed by using pressure
and temperature as the independent variables.
The method to derive the approximation functions in subcooled liquid state is given in detail
below.
Consider an arbitrary thermodynamic property
F=F(P, T) for heavy water in subcooled liquid
state and expand it into a Taylor series. The first
two terms of the Taylor expansion of F in pressure about the saturation point corresponding to
the temperature T are:

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

315

Table 3
Coefficients and exponents used in Eq. (9) for hf for different ranges of use
a0

a1

a2

Range of use (kPa)

463.1372
449.6439
405.974
346.8479
277.93
184.2785
74.8603
72.2187
353.2485
721.6373
1148.3684
1506.2541
4886805.5

0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
57.0067

0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
7.01378104

487.7368
474.3497
431.97675
377.364
318.12035
246.077
175.094
102.404
27.1928
1.6316
4.834104
1.4921017
0.0

0.1246
0.1277
0.1375
0.15091
0.167315
0.1914
0.2228
0.2717
0.3908
0.6464
1.4148
4.46569
0.0

0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
580415.0

0.6601BPsatB2.4
2.45Psat56.5
6.5BPsatB24
245Psat560
60BPsat5150
150BPsat5400
400BPsat5900
900BPsat53000
3000BPsatB8500
85005Psat513 700
13 700BPsatB18 600
18 6005Psat520 200
20 200BPsat521 400

F(P, T)=Ff(T) +

(F
[P Psat(T)].
(P T

(2)

Since properties at saturation, Ff(T), presented

in Section 3 were approximated as functions of
pressure rather than temperature, the temperature
T in the first term of Eq. (2) will have to be
changed to its corresponding saturation pressure,
Psat, by using Eq. (16). Therefore Eq. (2) becomes:
F(P, T)= Ff(Psat(T)) +

(F
[P Psat(T)].
(P T

(F
F Ff
=
.
(P T P Psat

F(P, T)= Fg(P)+

(3)

In subcooled liquid state, the thermodynamic

properties are strong functions of temperature
whereas they are weak functions of pressure.
Therefore the derivative of the function F with
respect to pressure will be a slowly varying, almost constant function. Hence, Eq. (3) can be
rearranged to give:
R(T)=

properties may vary strongly with both pressure

and temperature. Consider again an arbitrary
thermodynamic property F= F(P, T), then expand it into a Taylor series. The first two terms of
the Taylor expansion of F in temperature about
the saturated vapor point corresponding to the
pressure P are:

(4)

For a given temperature, this derivative was

calculated over each of the subdivided ranges and
then averaged. The resulting averages were fitted
with functions of temperature.

2.3. Superheated 6apor state

In superheated vapor state, the thermodynamic

(F
[T Tsat(P)].
(T P

(5)

Since the derivative is a sensitive function of

both pressure and temperature, Eq. (5) can be
rearranged to give:
R(P, T)=

(F
F Fg
=
.
(T P T Tsat

(6)

This derivative was evaluated and fitted with

some functions of pressure and temperature. It is
difficult to fit this derivative since R(P, T) is a
function of two independent variables.
The reason for using Eqs. (2) and (5) is that the
first terms in each of these equations are the
dominant terms, which were fitted very accurately
at saturation, and errors in the fitting of R(T) in
Eq. (4) and R(P, T) in Eq. (6) will not be as large
as they would if these properties were fitted directly, without reference to the value of the saturation properties.

a1
0.0
0.0
0.0
0.0
0.0293
0.0241
0.0233204
0.0143079
0.020007
0.245479
2.76788
0.0724976

a0

2166.0
2211.1156
2029.392
11597.974
2284.995
2307.791865
2329.0
2582.39565
2689.69
3908.3009
19881.2041
2207.595

0.0
0.0
0.0
0.0
0.0
0.0
0.0
3.36969106
8.74089107
1.48097105
1.4764104
4.49645105

a2
0.0
0.0
0.0
0.0
0.0
0.0
0.0
1.960821010
4.778311011
3.35531010
2.66812109
4.9761108

a3
0.0
0.0
0.0
0.0
0.0
0.0
0.0
5.555841015
0.0
0.0
0.0
4.387061011

a4

Table 4
Coefficients and exponents used in Eq. (10) for hg for different ranges of use

0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
20390

168.6551
131.9671
299.5196
13890.0
80.2932
73.273
63.2566
0.0
0.0
0.0
0.0
0.0

0.05
1.0
1.0
5.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0

0.1374
0.1562
0.0893
0.002951
0.2
0.2
0.21
0.0
0.0
0.0
0.0
0.0

0.6601BPsat510
10BPsatB50
505Psat5160
160BPsatB500
5005PsatB1000
10005PsatB3000
30005PsatB5000
50005Psat510 500
10 500BPsatB16 000
16 0005Psat518 800
18 800BPsat520 400
20 400BPsat521 467

Range of use (kPa)

316
A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

a2
0.718547
0.183748
1.611104
0.0
0.0
0.0
0.0
0.0
1.71232108
8.851351010
4.18851107
5.21091108
7.86877107

a1
0.867439
0.0198273
2.347103
0.0
0.0
0.0
0.0
0.0
2.2136104
8.10572105
4.88947103
1.24443104
1.42054105

a0

0.352894
0.019878
2.572039
13.403754
20.13329
1.04667
0.40432
0.36142
2.034696
2.452254
24.639787
3.93349
3.94149

0.398931
0.105636
7.631106
0.0
0.0
0.0
0.0
0.0
8.676371013
1.787061013
1.581621011
3.784671011
1.56323109

a3
0.122985
0.0252125
1.548107
0.0
0.0
0.0
0.0
0.0
1.795861017
5.240111018
2.249021016
1.432261014
1.254361012

a4

Table 5
Coefficients and exponents used in Eq. (11) for sf for different ranges of use

0.0159342
2.26244103
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0

a5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
20900.0
20900.0

0.0
0.0
2.6621
0.4871
0.1275
1.2869
0.8106
0.3763
0.0
0.0
0.0
0.0
0.0

c1

0.0
0.0
0.0
13.8068
20.2062
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0

c2

0.0
0.0
0.0815
0.1666
0.2645
0.128
0.1615
0.2199
0.0
0.0
0.0
0.0
0.0

e1

0.0
0.0
0.0
0.01
0.01
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0

e2

0.66015PsatB1.8
1.85Psat53.0
3.0BPsat515
15BPsat585
85BPsatB330
3305Psat5930
930BPsat52500
2500BPsatB5700
57005Psat512 000
12 000BPsat517 200
17 200BPsat520 000
20 000BPsat521 000
21 000BPsat521 600

Range of use (kPa)

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

317

a2
0.0
0.0
0.0
0.0
0.0
8.17719108
1.48637108
4.94672109
5.56298107
4.86448107
0.0

a1
0.0
0.0
0.0
0.0
0.0
3.79694104
1.72966104
2.58372105
6.48023103
9.42612103
1.60727104

a0

0.748064
729.4911
67885.03
29.353619
40.143519
6.40218
6.15393
5.73538
23.08881
66.147123
4.54961

0.0
0.0
0.0
0.0
0.0
1.077271011
8.605681013
3.520741013
2.114541011
8.449071012
0.0

a3

Table 6
Coefficients and exponents used in Eq. (12) for sg for different ranges of use
b
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
20550.0

a4
0.0
0.0
0.0
0.0
0.0
5.824961016
1.953781017
8.936491018
3.034271016
0.0
5.840471014

10.9702
1403.5879
75148.6
42.2528
56.3724
0.0
0.0
0.0
0.0
0.0
0.0

c1
1.9693
6.291
7255.51
5.24151
9.11279
0.0
0.0
0.0
0.0
0.0
0.0

c2

0.0
672.0916
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0

c3

0.048
0.0046
0.0001
0.015
0.015
0.0
0.0
0.0
0.0
0.0
0.0

e1

0.1
0.1
0.001
0.1
0.1
0.0
0.0
0.0
0.0
0.0
0.0

e2

0.0
0.01
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0

e3

0.66015Psat530.0
30.0BPsat5300
300BPsat5700
700BPsatB1200
12005Psat52000
2000BPsatB5000
50005PsatB11 000
11 0005Psat517 400
17 400BPsatB20 000
20 0005Psat521 000
21 000BPsat521 467

Range of use (kPa)

318
A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

319

Table 7
Coefficients and exponents used in Eq. (13) for cp,f for different ranges of use
a0

a1

245.38258
4.2201
4.1458
4.1019

a2

a3

a4

a5

0.0
0.0
0.0
0.0
1.186103
8.025106 2.487108
2.9971011
2.335106
1.645107 6.6941011
0.0
1.46104 8.873109
2.081012 1.5521016

3. Correlations for the thermodynamic properties of

heavy water at saturation
The correlations given below are the approximations to the heavy water thermodynamic properties for the liquid and gas phases at saturation.
Specific volume of heavy water for the liquid
phase at saturation, 6f (m3 kg 1), is

0.0
0.0
0.0
6.2181021

249.6704
0.0
0.0
0.0

Range of use (kPa)

4

1.12110
0.0
0.0
0.0

10.05Psat530.0
30.0BPsatB300
3005Psat51000
1000BPsat510 000

calculated by using the correlations for specific

enthalpy, specific volume and the equation u=
h P6.
Constant-pressure specific heat of heavy water
for the liquid phase at saturation, cp,f (kJ kg 1
K 1), is
5

cp,f = % ai P isat + cP esat.

(13)

i=0

6f = % ai (Psat b)i +cP esat.

(7)

i=0

Density of heavy water for the gas phase at

saturation, rg (kg m 3), is
5

rg = % ai (Psat b)i +cP esat.

(8)

i=0

Specific enthalpy of heavy water for the liquid

phase at saturation, hf (kJ kg 1), is
2

hf = % ai P

i
sat

+cP

e
sat

+f ln(Psat).

(9)

i=0

Specific enthalpy of heavy water for the gas

phase at saturation, hg (kJ kg 1), is
4

hg = % ai (Psat b)i +c(Psat d)e

(10)

i=0

Specific entropy of heavy water for the liquid

phase at saturation, sf (kJ kg 1 K 1), is
5

i=0

j=1

j
sf = % ai (Psat b)i + % cj P esat
.

(11)

Specific entropy of heavy water for the gas

phase at saturation, sg (kJ kg 1 K 1), is
4

i=0

j=1

j
sg = % ai (Psat b)i + % cj P esat
.

(12)

Specific internal energies for the liquid and gas

phases at saturation, uf and ug (kJ kg 1), can be

Constant-pressure specific heat of heavy water

for the gas phase at saturation, cp,g (kJ kg 1
K 1), is
5

cp,g = % ai P isat.

(14)

i=0

Saturation temperature of heavy water, Tsat

(C), as a function of saturation pressure is
Tsat = a+cP esat.

(15)

Saturation pressure of heavy water, Psat (kPa),

as a function of saturation temperature is
Psat =

Tsat a
c

1/e

(16)

The coefficients a, b, c, d, f and the exponent e

seen in Eqs. (7)(16) for different thermodynamic
properties at saturation are given in Tables 110
for different ranges of use. The coefficients a, c
and the exponent e seen in Eq. (16) for the
saturation pressure of heavy water are given in
Table 10 for different ranges of use. Starred coefficients or exponent seen in Table 10 gives less
error in calculation of saturation pressure than
those of the counterparts seen in Table 9 that are
used for calculation of the saturation temperature.
The range of use and the maximum error for
each of the piecewise continuous functions presented above for the thermodynamic properties of

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

320

Table 8
Coefficients and exponents used in Eq. (14) for cp,g for different ranges of use
a0

a1

a2

a3

a4

a5

Range of use (kPa)

1.7349
1.777275
1.8534
1.9209

4.288103
1.7103
6.987104
5.066104

6.287105
6.128106
2.457107
3.985108

4.403107
1.832108
1.1011010
6.8371012

0.0
2.8211011
2.4771014
4.9751016

0.0
1.6881014
2.1631018
1.8641020

10.05Psat560.0
60.0BPsat5400
400BPsat51000
1000BPsat510 000

heavy water at saturation are given in Table 11. A

summary of the approximation functions for the
fast computation of the thermodynamic properties of light water at saturation derived by Garland and Hoskins (1988) is also given in Table 11
in order to compare the ranges of use and the
error limits.
Comparison of the two correlation sets with the
aid of Table 11 shows that the error limits of the
approximate functions presented in this study for
the thermodynamic properties of heavy water at
saturation are much less than those developed for
light water previously. Additionally, the ranges of
use of the correlations for heavy water mostly
begin at 0.6601 kPa whereas the ranges of use of
the functions for light water at saturation mostly
begin at 75 kPa.

4. Correlations for the thermodynamic properties

of heavy water in subcooled liquid state

Table 9
Coefficients and exponents used in Eq. (15) for Tsat for different ranges of use

Table 10
Coefficients and exponents used in Eq. (16) for Psat for different ranges of use

The correlations given below are the approximations to the thermodynamic properties of
heavy water in subcooled liquid state when used
in conjunction with Eq. (16) for Psat. The coefficients a, b and c seen in Eqs. (17a), (18a), (19a),
(20) and (20a) for different thermodynamic properties in subcooled liquid state are given in Tables
1215 for different ranges of use.

4.1. Density, liquid phase

The piecewise continuous function given below
is an approximation to the density, r (kg m 3), of
heavy water in subcooled liquid state in the temperature range of 3.8C to Tsat and the pressure

Range of use (kPa)

Range of use (C)

112.77175
109.6602
99.56149
87.6554
73.9183
60.649
45.0052
30.1035
22.8884
9.39078
0.70657
12.5021
35.812
95.7685
420.0882

122.399
119.285
109.249
97.6839
84.9989
73.64
61.5568
51.5347
47.1923
40.0043
35.4213
40.4957
49.7625
76.4539
276.9554

0.1174
0.1204
0.1303
0.1424
0.1567
0.1708
0.1877
0.2037
0.2114
0.2254
0.2353
0.2253
0.2105
0.1812
0.1051

0.66015PsatB1.1
1.15PsatB2.4
2.45Psat56.5
6.5BPsatB23.0
23.05PsatB60.0
60.05Psat5150
150BPsat5400
400BPsat5900
900BPsatB1400
14005PsatB3000
30005Psat58500
8500BPsat511 100
11 100BPsatB13 700
13 7005Psat516 500
16 500BPsat521 660

112.77175
107.3874*
99.5614*
87.6554
73.9183
60.649
45.0052
30.1035
22.8884
9.39078
0.70657
12.5021
35.812
95.7685
420.0875*

122.399
117.01548*
109.249
97.6839
84.9989
73.64
61.5568
51.5347
47.1923
40.0043
35.4213
40.4957
49.7625
76.4539
276.9554

0.1174
0.1226*
0.1303
0.1424
0.1567
0.1708
0.1877
0.2037
0.2114
0.2254
0.2353
0.2253
0.2105
0.1812
0.1051

3.85TsatB11.0
11.05TsatB22.89
22.895Tsat539.86
39.86BTsatB65.01
65.015TsatB87.54
87.545Tsat5112.65
112.65BTsat5144.53
144.53BTsat5175.90
175.90BTsatB195.37
195.375TsatB233.75
233.755Tsat5298.46
298.46BTsat5317.73
317.73BTsatB333.74
333.745Tsat5348.46
348.46BTsat5370.74

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

321

Table 11
Comparison of the approximation functions for the fast computation of the thermodynamic properties of heavy water at saturation
presented by this paper to those of light water at saturation derived by Garland and Hoskins (1988)
Property

Heavy water at saturation by Durmayaz

Light water at saturation by Garland and Hoskins

(1988)

Range of use Psat (kPa), Tsat (C)

Maximum error,
(%)

Range of use Psat (kPa)

uf
ug
cp,f

0.66015Psat520 400
20 400BPsat521 400
0.66015Psat520 000
20 000BPsat521 200
0.95Psat521 400
0.6601BPsat520 600
20 600BPsat521 467
0.66015PsatB3.0
3.05Psat521 600
0.66015Psat520 400
20 400BPsat521 467
1.05Psat521 400
0.66015Psat520 800
10.05Psat510 000

0.008
0.013
0.014
0.056
0.030
0.004
0.016
0.066
0.009
0.002
0.012
0.029
0.005
0.009

cp,g

10.05Psat510 000

0.018

Tsat

0.66015PsatB23.0
23.05Psat521 660
3.85Tsat5370.74

0.048
0.006
0.032

6f
rg
hf
hg
sf
sg

Psat

Maximum error, (%)

75 21 500

0.140

85 21 500

0.220

75 21 700
75 21 550

0.100
0.066

65 21 250

0.120

25 21 500

0.100

75 21 500
85 21 500
30 13 300
13 300 20 300
50 16 000
16 000 20400
70 21 850

0.080
0.110
0.080
0.600
0.120
0.600
0.020

The maximum error in the ideal range of use is typed bold face for each property.

range of 0.8 18 000 kPa. The maximum error is

not worse than 0.097% up to 300C and below
0.323% between 300 and 355.21C.

where

r(P, T)=rf(Psat(T)) +R(T)[P Psat(T)]

R(T)= 1.32696 10 3

(17)

where
7
0.17
% ai T i.
R(T)=
375 T i = 0
4.2. Specific enthalpy, liquid phase

h(P, T)= hf(Psat(T))+ R(T)[PPsat(T)]

0.1656

(18a)

% ai (bT)

(18)

i=1

(17a)

The piecewise continuous function given below

is an approximation to the specific enthalpy, h (kJ
kg 1), of heavy water in subcooled liquid state in
the temperature range of 20C to Tsat and the
pressure range of 2 21 000 kPa. The maximum
error is not worse than 0.079% up to 12 000 kPa,
below 0.135% between 12 000 and 19 000 kPa and
below 0.28% between 19 000 and 21 000 kPa.

In determination of subcooled liquid temperature by using Eq. (18), Eq. (18a) and Newton
Raphson algorithm, the maximum error is below
0.29% in the temperature range of 20C to Tsat
and the pressure range of 221 000 kPa.

4.3. Specific entropy, liquid phase

The piecewise continuous function given below
is an approximation to the specific entropy, s (kJ
kg 1 K 1), of heavy water in subcooled liquid
state. The maximum error is not worse than
0.087% for the temperature range of 25C to Tsat

a1

4.413106
1.00123104
2.289911016

a0

1.18104
8.95929103
0.0

2.881108
4.29271108
1.085271014

a2

6.8271011
4.81305109
1.430891012

a3

Table 12
Coefficients used in Eq. (17a) for r(P, T) in liquid phase at different ranges of use

1.0081013
2.443181011
1.180291010

a4

5.2931016
4.742561014
1.111621012

a5

0.0
3.056721017
3.49111015

a6

0.0
0.0
3.657231018

a7

3.85T5205
205BT5320
320BT5355.21

Range of use T
(C) [for 0.85P5
18000 kPa]

322
A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

323

Table 13
Coefficients used in Eq. (18a) for h(P, T) in liquid phase for different ranges of use
a1

a2

a3

a4

Range of use P (kPa) [for 205T5T satC]

0.815094
1.0

5.69834103
0.0

3.61545105
0.0

6.20387108
0.0

368.0
369.0

2.05P519 000
19 000BP521 000

and the pressure range of 3 19 200 kPa and below 0.147% for the temperature range of 20C to
Tsat and the pressure range of 2 21 200 kPa.
s(P, T)=sf(Psat(T)) +R(T)[P Psat(T)]

(19)

where
5

R(T)= % ai (b T)i.

(19a)

i= 1

4.5. Specific internal energy, liquid phase

Specific internal energy of heavy water in subcooled liquid state, u (kJ kg 1), can be calculated
by using the correlations for specific enthalpy,
specific volume (inverse of density) and the equation u= h P6 with the maximum error being not
worse than 0.179% for the temperature range of
20C to Tsat and the pressure range of 218 000
kPa.

4.4. Constant-pressure specific heat, liquid phase

The piecewise continuous function given below
is an approximation to the constant-pressure specific heat, cp (kJ kg 1 K 1), of heavy water in
subcooled liquid state in the temperature range of
20C to Tsat and the pressure range of 1010 000
kPa. The maximum error is not worse than 0.24%
up to 6000 kPa and below 0.46% between 6000
and 10000 kPa.
cp (P, T)= cp,f(Psat(T)) +R(T)[P Psat(T)]+ c1
(20)

5. Correlations for the thermodynamic properties

of heavy water in superheated vapor state
The correlations given below are the approximations to the thermodynamic properties of
heavy water in superheated vapor state when used
in conjunction with Eq. (15) for Tsat. The coefficients a, b, c, d, f, g and m and the exponent e
seen in Eqs. (21a), (22a), (23a) and (24a) for
different thermodynamic properties in superheated vapor state are given in Tables 1619 for
different ranges of use.

where
R(T)= c2

489.3951
.
(378.05 T)3.832

(20a)

Table 15
Coefficients used in Eqs. (20) and (20a) for cp (P, T) in liquid phase for
different ranges of use
c1

c2

Range of use P (kPa), T (C)

0.0189
0.0
0.0
0.0
0.0
0.02244

2.8514106
4.59106
2.8514106
3.385106
4.028106
1.51106

105P510 000 and 205T530

105P51000 and 30BT5Tsat
1000BP54000 and 30BT5Tsat
4000BP56000 and 30BT5Tsat
6000BP58000 and 30BT5Tsat
8000BP510 000 and 30BT5Tsat

5.1. Specific 6olume, gas phase

The piecewise continuous function given below
is an approximation to the specific volume, 6 (m3
kg 1), of heavy water in superheated vapor state
in the temperature range of Tsat to 450C and the
pressure range of 0.818 200 kPa. The maximum
error is not worse than 0.28% up to 4000 kPa and
below 0.99% between 4000 and 18 200 kPa.
6(P, T)= 6g(P)+ R(P, T)[T Tsat(P)]
where

(21)

a1

1.773108
0.0
0.0

a0

1.702107
3.454107
5.179107

a1

0.0
2.967104
3.113104

2.0081010
0.0
0.0

a2

1.7591012
0.0
0.0

a3

Table 14
Coefficients used in Eq. (19a) for s(P, T) in liquid phase for different ranges of use

8.2391015
0.0
0.0

a4

1.6451017
0.0
0.0

a5

0.0
369.75
370.086

3.85T5150
150BTB300
3005T5368

Range of use T (C)

[for 0.66015P521200 kPa]

324
A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

325

Table 16
Coefficients used in Eq. (21a) for 6(P, T) in gas phase for different ranges of use
a

Range of use P (kPa)

[for Tsat5T5450C]

0.416955
0.419864
0.425415
0.408275

0.0311582
0.01165
0.0138294
64.1458

4.00512105
7.93992106
1.47732105
0.532726

1.0
1.0
1.0
0.0205

0.0
0.0
0.0
1.0

0.803876
1.83613
1.32549
0.0

0.85P5120
120BP5750
750BP54000
4000BP518 200

b
c P 0.1[f +(1 f )[d(T+8)4 P 2]0.5]+ g
a
T + 100
R(P, T)= +
.
P
[d(T + 8)4 P 2]0.5

5.2. Specific enthalpy, gas phase

(21a)

with the maximum error being not worse than

0.095% in the temperature range of Tsat to 450C
and the pressure range of 0.819 600 kPa.

The piecewise continuous function given below

is an approximation to the specific enthalpy, h (kJ
kg 1), of heavy water in superheated vapor state

h(P, T)=hg(P)+ R(P, T)[T Tsat(P)]

(22)

where
R(P, T)= a0 +

a1
+ a2 exp[a3(T a4)] +
T

bP
3

% ci P + d1P T+ d2PT+d3PT + % fj T
2

i=0

j=1

The piecewise continuous function given below

is an approximation to the specific entropy, s (kJ
kg 1 K 1), of heavy water in superheated vapor
state with the maximum error being not worse
than 0.078% in the temperature range of Tsat to
450C and the pressure range of 0.8 19 600 kPa.
(23)
s(P, T)= sg(P) + R(P, T)[T Tsat(P)]
where

i=0

j=1

(22a)

The piecewise continuous function given below

is an approximation to the constant-pressure specific heat, cp (kJ kg 1 K 1), of heavy water in
superheated vapor state in the temperature range
of Tsat to 440C and the pressure range of 10
10 000 kPa. The maximum error is not worse than
1.384% up to 4000 kPa and below 2.751% between 4000 and 10 000 kPa.

5.3. Specific entropy, gas phase

0.5

5.4. Constant-pressure specific heat, gas phase

In determination of superheated vapor temperature by using Eq. (22), Eq. (22a) and Regula
Falsi algorithm, the maximum error is below
0.31% in the temperature range of Tsat to 450C
and the pressure range of 1.6 19 600 kPa.

cp (P, T)= cp,g(P)+ R(P, T)[T Tsat(P)]

(24)

where

R(P, T)= % ai P i +b1P 2T + b2PT +b3PT 2 + % cj T j + dP 0.5

+

fP 1.2
3

% gkP +h1P T + h2PT + h3PT + % mlT + m4(35.85+T)

k=0

l=1

0.5

(23a)

a0
a1
a2
a3
a4
b
c0
c1
c2
c3
d1
d2
d3
f1
f2
f3

65BP5300
10.3473
4.20364
8.57778
0.00005
160.0
0.621974
0.0
0.0
1.0
0.0
0.0
0.0
0.0
0.0
30.0
0.0

16BP565
10.0676
0.461977
8.3033
0.00005
160.0
0.653461
0.0
0.0
1.0
0.0
0.0
0.0
0.0
0.0
10.0
0.0

0.85P516

9.78095
0.59222
8.02899
0.00005
160.0
0.0852264
0.0
0.0
1.0
0.0
0.0
0.0
0.0
10.0
0.0
0.0

Range of use P (kPa) [for Tsat5T5450C]

8.77936
14.5654
6.90745
0.00005
160.0
1.0
5.48124106
48949.9
95.7573
0.0
0.395542
36.8654
0.955119
42360.6
157.418
0.834372

300BP5550
8.77936
14.5654
6.90745
0.00005
160.0
1.0
2.02606106
5455.09
4.5871
0.0
0.0152999
2.29869
0.0470903
48355.5
213.866
0.16749

550BP51000
8.77936
14.5654
6.90745
0.00005
160.0
1.0
4.86949106
153.166
0.721999
2.71243104
1.43851103
14.4208
0.0360021
50111.9
236.837
0.0411938

1000BP52800

Table 17
Coefficients used in Eq. (22a) for h(P, T) in gas phase for different ranges of use

2.99797
668.025
4.06839
0.008
162.0
1.0
4601.63
38766.8
2.72334
0.0
7.302213
100.625
1.67785103
638797.0
2329.48
2.28804

2800BP54000

2.99797
668.025
4.06839
0.008
162.0
1.0
2325.52
21539.8
1.57605
0.0
4.42643103
42.7481
0.0353695
388376.0
1251.28
1.15848

4000BP56000

2.99797
668.025
4.06839
0.008
162.0
1.0
1033.21
10603.3
0.71885
0.0
2.04974103
11.8956
0.0369474
221822.0
590.03
0.600349

6000BP510 000

12.0484
6388.74
36.6958
0.008
162.0
1.0
1.83077108
26599.8
0.516917
2.33741106
1.65955103
89.4346
0.0477829
2.3587106
7500.61
7.08239

10 000BP515 000

12.0484
6388.74
36.6958
0.008
162.0
1.0
9.25914107
36195.5
1.19313
1.36951106
2.81054103
76.7847
0.0180701
772825.0
3414.02
2.87336

15 000BP519 600

326
A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

327

Table 18
Coefficients used in Eq. (23a) for s(P, T) in gas phase for different ranges of use
Range of use P (kPa) [for Tsat5T5450C]

a0
a1
a2
a3
b1
b2
b3
c1
c2
c3
d
f
g0
g1
g2
g3
h1
h2
h3
m1
m2
m3
m4

0.85PB22.0

225P5140

140BP51000

1000BPB11 000

6.16662103
5.03219105
3.05565106
6.23545108
9.368681010
1.38783108
2.371521011
9.55276106
1.58514108
1.236851011
0.0
0.0
1.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0

5.9217103
1.48048106
3.19711108
9.571861011
1.138051012
1.31701108
1.829971011
9.85418106
1.79269108
1.470791011
0.0
0.0
1.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0

6.03405103
4.81826103
1.74264106
0.0
6.898931010
0.0
2.993611013
0.0
7.33441014
0.0
9.67509109
0.0
1.122571011
0.0
1.28919105 2.87624106
2.80426108
0.0
2.489581011
0.0
0.0
1.00104106
0.0
8.52194107
1.0
0.0
0.0
0.0
0.0
1.0106
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
3.01011

11 0005P518 000

18 000BP519 600

4.81826103
0.0
0.0
0.0
0.0
0.0
0.0
2.87624106
0.0
0.0
1.00104104
8.52194107
8.34545107
3.60396103
2.0114106
1.955651010
1.70265108
2.44047104
3.82669108
1.34104
9.71333103
2.51487105
0.0

4.81826103
0.0
0.0
0.0
0.0
0.0
0.0
2.87624106
0.0
0.0
1.00104104
8.52194107
4.28135106
0.0207351
1.07037106
1.632991010
1.67564108
3.03573104
6.49484108
5.89338104
9.88442103
2.59554105
0.0

% di p i +f1p 3T+ f2p 2T 2 + f3pT 3 + f4p 2T+ f5pT+f6pT 2 + % gj T j

R(P, T)=a +bp(c T)2.1 +

i=0

where p =P/1000.

5.5. Specific internal energy, gas phase

Specific internal energy of heavy water in superheated vapor state, u (kJ kg 1), can be calculated by using the correlations for specific
enthalpy and specific volume and the equation
u=hPv with the maximum error being not
worse than 0.096% for the temperature range of
Tsat to 450C and the pressure range of 0.8
18 200 kPa.

j=1

[h(T+ 8)2 p]1.5

(24a)

6. Conclusions
A set of correlations has been presented in this
paper in order to make possible the fast computation of the thermodynamic properties of heavy
water at saturation, in subcooled liquid and superheated vapor states. These correlations are accurate enough and can be used with confidence in
the two-phase thermalhydraulic system analysis of
CANDU-PHW reactor.
A computer program, called D2O, was also
coded by using these correlations in FORTRAN

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

328

Table 19
Coefficients used in Eq. (24a) for cp (P, T) in gas phase for
different ranges of use

u
6

specific internal energy

specific volume

Range of use P (kPa) [for Tsat5T5440C]

Greek letters
r

density

Subscripts
f
g
sat

liquid phase at saturation

gas phase at saturation
saturation

10.05P56000
a
b
c
d0
d1
d2
d3
d4
f1
f2
f3
f4
f5
f6
g1
g2
g3
g4
h

6.4488610
4.49835109
650.0
1.50168108
4.05154106
1.92734106
6.20089105
5.89434104
1.98528105
2.84327107
3.7646109
3.77898105
4.22794104
1.27748106
2.15835106
1.55305107
2.340511011
7.106641013
1.4441104

6000BP510 000
3

4.7243910
2.52944107
550.0
1.82782
4.39832
0.0115614
0.0134129
0.0
4.21103105
2.63761108
2.32163109
3.04821104
0.0298064
3.81522105
1.62507103
1.71995106
1.17518108
0.0
1.474104

77 on a 486DX2-66 personal computer. D2O can

be obtained freely by corresponding with Dr Ahmet Durmayaz.

Appendix A. Nomenclature
a, b, c, d, f, g, coefficients
h, m
cp
specific heat at constant pressure
e
exponent
Fapp
value of any thermodynamic
property calculated by using
the approximation functions
Fref
value of any thermodynamic
property seen in the reference
steam tables
h
specific enthalpy
P
pressure
s
specific entropy
T
temperature

Acronyms
AECL
ATHENA
CANDUPHW
CATHENA
CPU
LOCA
IAPS

Atomic Energy of Canada

Limited
Algorithm for THErmalhydraulic Network Analysis
CANada Deuterium UraniumPressurized Heavy Water
Canadian Algorithm for THErmalhydraulic Network Analysis
Central Processing Unit
Loss-of-Coolant Accident
International Association for
the Properties of Steam

References
Durmayaz, A., 1995. A Loss-of-Coolant Accident Analysis for
Near Stagnation Flow in the Horizontal Fuel Channel of
CANDU Reactor. Ph.D. Thesis, ITU Institute for Nuclear
Energy, (May 4, 1995) Istanbul.
Garland, W.M.J., Hoskins, J.D., 1988. Approximate functions
for the fast calculation of light-water properties at saturation. Int. J. of Multiphase Flow 14, 333 348.
Garland, W.M.J., Hand, B.J., 1989. Simple functions for the
fast approximation of light water thermodynamic properties. Nucl. Eng. Des. 113, 21 34.
Hill, P.G., MacMillan, R.D., Victor, L., 1981. Tables of
thermodynamic properties of heavy water in S.I. units,
(December 1981) AECL 7531.
Hill, P.G., MacMillan, R.D. Chris, Victor, Lee, 1982. A
fundamental equation of state for heavy water. J. Phys.
Chem. Ref. Data 11, 1 15.
Kestin, J., Sengers, J.V., Kamgar-Parsi, B., Levelt Sengers,
J.M.H., 1984. Thermophysical properties of fluid D2O. J.
Phys. Chem. Ref. Data 13, 601 609.
Kestin, J., Sengers, J.V., 1986. New international formulations
for the thermophysical properties of light and heavy water.
J. Phys. Chem. Ref. Data 15, 305 320.

A. Durmayaz / Nuclear Engineering and Design 178 (1997) 309329

Liner, Y., Hanna, B.N., Richards, D.J., 1988. Piecewise Hermite polynomial approximation of liquidvapour thermodynamic properties. Am. Soc. Mech. Engineers, Fluids
Eng. Div. FED 72 99102.

329

Richards, D.J., Hanna, B.N., Hobson, N., Ardron, K.H.,

1985. ATHENA: A two-fluid code for CANDU LOCA
analysis. Presented at the 3rd Int. Conf. Reactor Thermalhydraulics, October 15 18, Newport, Rhode Island.