Forschungszentrum Karlsruhe

T e c h n i k

u n d

U m w e l t

i s s e n s c n a t i i K

F Z K A 5588

Thermal Properties
of Water
K. Thurnay
Institut fr Neutronenphysik und Reaktortechnik
Projekt Nukleare Sicherheitsforschung

Juni 1995

Forschungszentrum Karlsruhe
Technik und Umwelt
Wissenschaftliche Berichte
FZKA 5588

Thermal Properties of Water

K.Thurnay
Institut fr Neutronenphysik und Reaktortechnik
Projekt Nukleare Sicherheitsforschung

Forschungszentrum Karlsruhe GmbH, Karlsruhe

1995

Als Manuskript gedruckt

Fr diesen Bericht behalten wir uns alle Rechte vor
Forschungszentrum Karlsruhe G m b H
Postfach 3640, 76021 Karlsruhe

ISSN 0947-8620

Abstract
T h e report d e s c r i b e s A Q U A , a c o d e d e v e l o p e d in the F o r s c h u n g s z e n t r u m K a r l s r u h e
to c a l c u l a t e t h e r m a l p r o p e r t i e s of the w a t e r in s t e a m e x p l o s i o n s . A Q U A b a s e s o n the
H . G . K , w a t e r c o d e , yet s u p p l i e s - b e s i d e s of the p r e s s u r e and heat c a p a c i t y f u n c t i o n s a l s o the t h e r m a l c o n d u c t i v i t y , v i s c o s i t y a n d the s u r f a c e t e n s i o n . A Q U A c a l c u l a t e s in a
n e w w a y the t h e r m a l p r o p e r t i e s in the t w o p h a s e r e g i o n , w h i c h is m o r e r e a l i s t i c a s the
o n e u s e d in the H.G.K, c o d e . A Q U A is e q u i p p e d with n e w , fast r u n n i g r o u t i n e s to c o n v e r t
t e m p e r a t u r e - d e n s i t y d e p e n d e n t s t a t e s into t e m p e r a t u r e - p r e s s u r e o n e s .
A Q U A h a s a v e r s i o n to be u s e d on line a n d v e r s i o n s a d a p t e d for batch c a l c u l a t i o n s .
A c o m p l e t e d e s c r i p t i o n of the c o d e is i n c l u d e d .

Thermische Eigenschaften des Wassers.

Zusammenfassung.

D e r B e r i c h t befat s i c h mit d e m C o d e A Q U A . A Q U A w u r d e im F o r s c h u n g s z e n t r u m
K a r l s r u h e e n t w i c k e l t u m bei der U n t e r s u c h u n g v o n D a m p f e x p l o s i o n e n die t h e r m i s c h e n
Eigenschaften des W a s s e r s zu liefern.
AQUA
ist e i n e F o r t e n t w i c k l u n g
des
H . G . K . - W a s s e r c o d e s , a b e r e r b e r e c h n e t - n e b e n D r u c k - und W r m e e i g e n s c h a f t e n - a u c h
d i e W r m e l e i t f h i g k e t , die Viskositt u n d d i e O b e r f l c h e n s p a n n u n g . Im Z w e i p h a s e n g e biet b e s c h r e i b t A Q U A die t h e r m i s c h e n E i g e n s c h a f t e n mit e i n e r n e u e n M e t h o d e , d i e r e a l i s t i s c h e r ist, a l s d a s in d e r H . G . K . - C o d e d a r g e b o t e n e V e r f a h r e n . A Q U A v e r f g t b e r
s c h n e l l l a u f e n d e H i l f s p r o g r a m m e , d i e d i e U m w a n d l u n g der T e m p e r a t u r - D i c h t e D a r s t e l l u n g e n in d i e D r u c k - D i c h t e D a r s t e l l u n g e n e r m g l i c h e n .
A Q U A k a n n m a n s o w o h l im D i a l o g b e t r i e b b e n u t z e n a l s a u c h b e i m r e c h n e n im S t a p e l verfahren.
E i n e a u s f h r l i c h e B e s c h r e i b u n g d e s P r o g r a m m s y s t e m s rundet d e n B e r i c h t a b .

Abstract

Glossary

Name

Code

Description

s p e c i f i c free e n e r g y [ Jjkg ]
Al(R ss'T)

ALF

-0.1, c r i t i c a l e x p o n e n t for the heat c a p a c i t y

BET

0.325,

Cv

CV

heat c a p a c i t y at c o n s t a n t v o l u m e [ JI(kg*K)

CVL

heat c a p a c i t y at c o n s t a n t v o l u m e of the liquid [ R

CVV

heat c a p a c i t y at c o n s t a n t v o l u m e of the v a p o r [ R

Cv

CVO

Cyj R

CP

heat c a p a c i t y at c o n s t a n t p r e s s u r e [ J/(/cgK) ]

CPO

Cp/Rgas

CPC

Cp/Cy

GAM

1.24,

DL

d e n s i t y of the liquid [ g/cm

DV

d e n s i t y of the v a p o r [ g / c m

DX

d e n s i t y in g / c m

ETA

dynamic viscosity [ P a * sec ]

ETC

critical viscosity, 3.95*10- P a * s e c

ETL

d y n a m i c v i s c o s i t y of t h e liquid [ P a * s e c ]

ETV

d y n a m i c v i s c o s i t y of the v a p o r [ P a * s e c ]

specific G i b b s function [ J//cg]

GL

G in t h e s a t u r a t e d s t a t e s

GO

Gl(Rga 'T)

GASCON

t h e g a s - l a w c o n s t a n t of the water in J / g K

specific enthalpy

HO

HKRgas'T)

Hp

H1P

dHldP,

G
G

Hp

c r i t i c a l e x p o n e n t for the d e n s i t y
]
gi>s

gas

]
]

gas

c r i t i c a l e x p o n e n t for

dPjdp
]

dHjdp,

[J//cg]

p r e s s u r e d e r i v a t i v e of H
d e n s i t y d e r i v a t i v e of H

Glossary

Name

Code

Description

Zr

CHIT

r e d u c e d i s o t h e r m a l c o m p r e s s i b i l i t y ( s. E q . [3.9] )

IAPS
X

T h e International A s s o c i a t i o n for t h e P r o p e r t i e s of S t e a m
XLMB

t h e r m a l c o n d u c t i v i t y [ W/(mK) ]

XLL

t h e r m a l c o n d u c t i v i t y of t h e liquid [ M//(rrrK) ]

XLV

t h e r m a l c o n d u c t i v i t y of t h e v a p o r [ W/(m'K)

MW

M o l a l m a s s ( 18.0152

gjmol)

pressure [ Pa ]

PC

critical pressure,

PS

vapor pressure

PSL

PSL

p r e s s u r e on the liquid s p i n o d a l

Psv

PSV

p r e s s u r e o n the v a p o r s p i n o d a l

P1R

dP/dp,

PL1R

d e n s i t y d e r i v a t i v e of the p r e s s u r e in the s a t u r a t e d liquid

PV1R

d e n s i t y d e r i v a t i v e of t h e p r e s s u r e in t h e s a t u r a t e d v a p o r

22.0549 M P a

d e n s i t y d e r i v a t i v e of t h e p r e s s u r e

P1R0

dPjdpU

P1RS

d e n s i t y d e r i v a t i v e of the p r e s s u r e at c o n s t a n t e n t r o p y

P1T

BP/dT,

PL1T

t e m p e r a t u r e d e r i v a t i v e of the p r e s s u r e in the s a t u r a t e d liquid

PV1T

t e m p e r a t u r e d e r i v a t i v e of the p r e s s u r e in t h e s a t u r a t e d v a p o r

P l(R ,s'T)
P

t e m p e r a t u r e d e r i v a t i v e of t h e p r e s s u r e

Pr

P1T0

P*

PRN

Prandtl number,

p r e s s u r e in M P a - s

RGAS

g a s - l a w c o n s t a n t of the water,

RH

d e n s i t y [ kg/m

Pc

RHC

critical density,

PSL

RHSL

d e n s i t y of t h e liquid s p i n o d a l

Psv

RHSV

d e n s i t y of the v a p o r s p i n o d a l

PT

R1T0

r e d u c e d t e m p e r a t u r e - d e r i v a t i v e of t h e d e n s i t y ,

gBC

aqua

P l(R 'p)
T

gas

C '{rilX)
P

461.522

J/(kg'K)

]
322.

kg/m

Tjp'dpjdT

Name

Code

Description

RL1T0

r e d u c e d t e m p e r a t u r e - d e r i v a t i v e of the d e n s i t y

of t h e s a t u r a t e d l i q u i d ,
r

RV1T0

T/p'dpJdT

r e d u c e d t e m p e r a t u r e - d e r i v a t i v e of the d e n s i t y
of t h e s a t u r a t e d v a p o r ,

S
S

T/p'dpvldT

s p e c i f i c e n t r o p y [ JI(kg*K)

SC

critical entropy,

SRFTS

s u r f a c e t e n s i o n [ N\M

SL

s p e c i f i c e n t r o p y of t h e liquid [ JI(kg*K)

SREF

7.6180802

9.43 'R

gas

]
= 435.244

Jl(kgK)

]
]

R
g

SO

temperature [ K ]

TC

critical temperature,

TPS1T

T'dP*ldT

TTPS2T

T'T-d P"ldT

dT/dP*

TS1P

i n v e r s e of the d e r i v a t i v e of t h e v a p o r p r e s s u r e [ K / P a ]

scaled temperature,

s p e c i f i c internal e n e r g y \_J\kg ]

UREF

-4328.455039

SlR

gas

647.126 K

[ Pa ]
[ Pa ]

1 T\T

R T
g

U0

U1R

dLI/dp ,

specific volume,

v,

VS

v e l o c i t y of s o u n d ,

VQ

v a p o r quality,

Ul(R -T)
gas

d e n s i t y d e r i v a t i v e of U
1/p

2
s

v
m

dPjdp\

J~T~

factor of reality,

(P'V)l(R 'T)
gas

Glossary

Contents
1.0

Introduction

2.0
2.1
2.2
2.3
2.4
2.5
2.6

A short description of the H.G.K.-code

The Helmholtz function
The base function
T h e ideal g a s f u n c t i o n
The residual function
T h e critical data
T h e validity d o m a i n

3
3
3

4
5

7
8

3.0 Transport properties of the water

Reduced variables
3.1 V i s c o s i t y
3.2 T h e r m a l c o n d u c t i v i t y
3.3 S u r f a c e t e n s i o n

9
9
9
1
13

4.0 Thermal properties in the two phase region

4.1 T h e r m a l states of the s u b c r i t i c a l water
4.2 W a t e r p r o p e r t i e s in t h e r e g i o n of instability

15
15
16

5.0 Describing the water properties in the saturated states

5.1 D e s c r i b i n g the s a t u r a t i o n line of the w a t e r
The saturation p r e s s u r e
T h e saturation line
5.2 D e s c r i b i n g the s p i n o d a l s
C a l c u l a t i n g the s p i n o d a l s of the water
The spinodal densities
The spinodal pressures
5.3 T h e e n t r o p y o n the s a t u r a t i o n line
5.4 T h e t r a n s p o r t p r o p e r t i e s on t h e saturation line
The viscosity
The thermal conductivity
5.5 O t h e r s a t u r a t e d p r o p e r t i e s
T h e d e n s i t y d e r i v a t i v e of the p r e s s u r e
T h e t e m p e r a t u r e d e r i v a t i v e of t h e p r e s s u r e
T h e heat c a p a c i t i e s
The free enthalpy, G

27
27
27
29
30
30
31
33
34
36
36
37
39
39
41
43
45

6.0 Calculating the densities from the pressures

6.1 C a l c u l a t i n g s m a l l d e n s i t y c h a n g e s
6.2 C a l c u l a t i n g l a r g e d e n s i t y c h a n g e s

47
47
49

7.0 Using A Q U A
7.1 T h e c o d e s y s t e m A Q U A
S E R V U S : auxiliary datasets and routines
7.2 W A T E R
7.3 S t r i n g - r o u t i n e s
KAISOT
KAISOK
7.4 I V A - r o u t i n e s
WASSER
DAMPF
RDRDP
SAET01

55
55
5

58
58
6 1

Contents

VD1
8.0

64

References

65

Appendix A. Some thermal relations

67

A.1
A.2
A.3
A.4

67
67
69
70

The
The
The
The

d e r i v a t i v e s of the f r e e e n e r g y
e n t h a l p y a n d its d e r i v a t i v e s
sonic velocity
J o u l e T h o m s o n coefficient

Appendix B. Derivatives of some saturated properties

B. 1 D e r i v a t i v e s of the v a p o r p r e s s u r e
B.2 D e r i v a t i v e s of the s a t u r a t e d d e n s i t i e s

71
71
72

Appendix C. Adjusting the saturated states

75

Appendix D. Module trees

D.1 Interactive r o u t i n e s
WATER
KAISOT
KAISOK
D.2 I V A 3 - R O U T I N E S
WASSER
DAMPF
RDRDP
SAET01
D.3 S U B - R O U T I N E S
HYDOR
SUBCRI
TWOPHA
GPCORR
DINSU
DINLI
DINVA

77
77
77
78
78
79
79
79
80
80
81
81
81
81
82
82
82
82

Appendix E. Common blocks

83

Appendix F. Property routines

F.1 I N R 1 0 5 . A Q U A . F O R T ( B L O C K )
F.2 I N R 1 0 5 . A Q U A . F O R T ( O N L Y T )
F.3 INR 1 0 5 . A Q U A . F O R T ( B A S E )
F.4 I N R 1 0 5 . A Q U A . F O R T ( R E S I D )
F.5 I N R 1 0 5 . A Q U A . F O R T ( S I G M A )
F.6 I N R 1 0 5 . A Q U A . F O R T ( T R A N S P )
F.7 I N R 1 0 5 . A Q U A . F O R T ( S S P )
F.8 I N R 1 0 5 . A Q U A . F O R T ( T S 1 )
F.9 I N R 1 0 5 . A Q U A . F O R T ( S S R H O )
F.10 I N R 1 0 5 . A Q U A . F O R T ( S P I R H O )
F.11 I N R 1 0 5 . A Q U A . F O R T ( S P I P )
F.12 I N R 1 0 5 . A Q U A . F O R T ( S S P E R )
F.13 I N R 1 0 5 . A Q U A . F O R T ( S S P E T )
F.14 I N R 1 0 5 . A Q U A . F O R T ( S S C E V )
F.15 I N R 1 0 5 . A Q U A . F O R T ( S S G I S )
F.16 I N R 1 0 5 . A Q U A . F O R T ( S S E T A )
F.17 I N R 1 0 5 . A Q U A . F O R T ( S S L A M )
F.18 I N R 1 0 5 . A Q U A . F O R T ( D I L E )
F.19 I N R 1 0 5 . A Q U A . F O R T ( D I V E )
F.20 I N R 1 0 5 . A Q U A . F O R T ( P L M A X )

aqua

85
85
86
87
88
90
90
92
93
93
95
96
96
97
98
99
100
101
101
102
102

F.21
F.22
F.23
F.24
F. 25

INR105.AQUA.FORT(P1200)
INR105.AQUA.FORT(P600)
INR105.AQUA.FORT(P400)
INR105.AQUA.FORT(P322)
INR105.AQUA.FORT(P250)

102
103
103
103
104

Appendix G. Secondary routines

G. 1 INR105.AQUA.FORT(DGFIND)
G.2 I N R 1 0 5 . A Q U A . F O R T ( D L F I N D )
G.3 I N R 1 0 5 . A Q U A . F O R T ( D V F I N D )
G.4 I N R 1 0 5 . A Q U A . F O R T ( D I N S U )
G.5 I N R 1 0 5 . A Q U A . F O R T ( D I N L I )
G.6 I N R 1 0 5 . A Q U A . F O R T ( D I N V A )
G.7 I N R 1 0 5 . A Q U A . F O R T ( Q U A D O )
G.8 I N R 1 0 5 . A Q U A . F O R T ( M O N I K A )
G.9 INR 1 0 5 . A Q U A . F O R T ( S O R B E T )
G.10 I N R 1 0 5 . A Q U A . F O R T ( T C O R R )
G.11 I N R 1 0 5 . A Q U A . F O R T ( G P C O R R )
G.12 I N R 1 0 5 . A Q U A . F O R T ( S U B C R I )
G.13 I N R 1 0 5 . A Q U A . F O R T ( T W O P H A )
G.14 I N R 1 0 5 . A Q U A . F O R T ( R E D U K )
G.15 I N R 1 0 5 . A Q U A . F O R T ( R E D U K E )
G . 16 I N R 1 0 5 . A Q U A . F O R T ( H Y D O R )

105
105
107
109
110
111
112
113
114
115
116
116
117
118
118
119
121

Appendix H. User-Interfaces
H. 1 I N R 1 0 5 . A Q U A . F O R T ( W A T E R )
H.2 I N R 1 0 5 . A Q U A . F O R T ( K A I S O T )
H. 3 I N R 1 0 5 . A Q U A . F O R T ( K A I S O K )

123
123
126
127

Appendix I. H.G.K.-users
I. 1 I N R 1 0 5 . A Q U A . F O R T ( H G K S P N )
1.2 I N R 1 0 5 . A Q U A . F O R T ( H G K S A T )
1.3 I N R 1 0 5 . A Q U A . F O R T ( T R N S A T )

131
131
134
136

Appendix J . The IVA Routines

J.1 I N R 1 0 5 . A Q U A . F O R T ( S A E T 0 1 )
J.2 INR105.AQUA.FORT(WASSER)
J.3 INR105.AQUA.FORT(DAMPF)
J.4 I N R 1 0 5 . A Q U A . F O R T ( R D R D P )
J.5 INR105.AQUA.FORT(VD1)

139
139
140
142
143
144

Appendix K. Service routines

K.1 I N R 1 0 5 . A Q U A . F O R T ( S I G N A T )
K.2 I N R 1 0 5 . A Q U A . F O R T ( M U S T E R )
K.3 I N R 1 0 5 . A Q U A . F O R T ( N A P S Z M )

147
147
149
149

Appendix L. Return codes

151

Appendix M. TSO-procedures, calculating thermal properties of the water

153

Appendix N. Thermal property labels

155

Contents

Figures
1.
2.
3.
4.
5.
6.
7.
8.
9.
10.
11.
12.
13.
14.
15.
16.
17.
18.
19.
20.
21.
22.
23.
24.
25.
26.
27.
28.
29.
30.
31.
32.
33.
34.
35.
36.
37.
38.
39.
40.
41.
42.
43.
44.
45.
46.
47.
48.
49.
50.

T h e r m a l c o n d u c t i v i t y of the s t e a m in the critical r e g i o n a s a function of d e n s i t y

at c o n s t a n t p r e s s u r e s
T h e r m a l c o n d u c t i v i t y of the w a t e r on s u p e r c r i t i c a l i s o t h e r m s
P r e s s u r e s u r f a c e of the water. H . G . K . - c o d e
S k e t c h of P,V d i a g r a m with s a t u r a t i o n a n d s p i n o d a l l i n e s . V = 1 / p
P r e s s u r e of the water in the t w o p h a s e r e g i o n . T = 500 K
W a t e r p r e s s u r e s in the s u p e r h e a t e d liquid state
F r e e e n t h a l p y of the w a t e r in the two p h a s e r e g i o n . T = 500 K
Entropy of the water in the two p h a s e r e g i o n . T = 500 K
F r e e e n e r g y of the water in the t w o p h a s e r e g i o n . T = 500 K
S o n i c v e l o c i t y of the water in the t w o p h a s e r e g i o n . T = 500 K
Heat c a p a c i t y - C - of the w a t e r in the t w o p h a s e r e g i o n . T = 500 K
T h e r m a l c o n d u c t i v i t y of the w a t e r in the two p h a s e r e g i o n . T = 500 K
V i s c o s i t y of the water in the t w o p h a s e r e g i o n . T = 500 K
P r e s s u r e s u r f a c e of the water. A Q U A
Heat c a p a c i t y s u r f a c e of the water. A Q U A . V i e w f r o m the c o l d s i d e
Heat c a p a c i t y s u r f a c e of the water. A Q U A . V i e w f r o m the liquid s i d e
V a p o r p r e s s u r e f o r m u l a of W a g n e r a n d S a u l
S p i n o d a l d e n s i t i e s in the vicinity of the critical point
S a t u r a t i o n a n d s p i n o d a l d e n s i t i e s of the w a t e r
P r e s s u r e s o n the s p i n o d a l s of the water
Entropy on the saturation line of the w a t e r
Entropy of the s a t u r a t e d s t a t e s in the vicinity of T
V i s c o s i t y of the water in the s a t u r a t e d s t a t e s
T h e r m a l c o n d u c t i v i t y of the w a t e r a s function of the t e m p e r a t u r e
D e n s i t y d e r i v a t i v e s of the p r e s s u r e in the s a t u r a t e d s t a t e s
D e n s i t y d e r i v a t i v e s of the p r e s s u r e in the vicinity of T
T e m p e r a t u r e d e r i v a t i v e s of the p r e s s u r e in the s a t u r a t e d s t a t e s
T e m p e r a t u r e d e r i v a t i v e s of the p r e s s u r e in the vicinity of T
Heat c a p a c i t i e s of the w a t e r in the s a t u r a t e d s t a t e s
Heat c a p a c i t i e s of the w a t e r in the vicinity of T
F r e e e n t h a l p y - G - of the w a t e r in the s a t u r a t e d s t a t e s
W a t e r p r e s s u r e s on the 647 K i s o t h e r m
W a t e r . D e n s i t y - p r e s s u r e chart
The procedure userid.SERVUS.CNTL(IEBGENER)
The procedure userid.AQUA.CLIST(KAISOT)
The procedure userid.AQUA.CLIST(KAISOK)
M o d u l e tree for the p r o c e d u r e W A T E R
M o d u l e tree for the p r o c e d u r e K A I S O T
M o d u l e tree for the p r o c e d u r e K A I S O K
M o d u l e tree for the p r o c e d u r e W A S S E R
M o d u l e tree for the p r o c e d u r e D A M P F
M o d u l e tree for the p r o c e d u r e R D R D P
M o d u l e tree for the p r o c e d u r e S A E T 0 1
M o d u l e tree for the p r o c e d u r e H Y D O R
M o d u l e tree for the p r o c e d u r e S U B C R I
M o d u l e tree for the p r o c e d u r e T W O P H A
M o d u l e tree for the p r o c e d u r e G P C O R R
M o d u l e tree for the function D I N S U
M o d u l e tree for the f u n c t i o n DINLI
M o d u l e tree for the f u n c t i o n D I N V A
Y

Figures

10
12
14
15
16
17
18
18
19
20
21
22
23
24
25
26
28
31
32
33
34
35
36
38
39
40
41
42
43
44
45
48
50
55
58
61
77
78
78
79
79
80
80
81
81
81
82
82
82
82

Tables
1.
2.
3.
4.
5.
6.
7.
8.
9.
10.
11.
12.
13.
14.
15.
16.
17.
18.
19.
20.
21.
22.
23.
24.
25.
26.
27.
28.
29.
30.
31.
32.

T h e c o e f i c i e n t s of the b a s e f u n c t i o n
T h e c o e f i c i e n t s of the ideal g a s f u n c t i o n
T h e e x p o n e n t s i(1) - i(40) of the r e s i d u a l f u n c t i o n
T h e e x p o n e n t s k(1) - k(40) of the r e s i d u a l function
T h e c o e f f i c i e n t s of the n e a r - c r i t i c a l d e s c r i p t i o n in the r e s i d u a l f u n c t i o n
T h e c o e f f i c i e n t s g(1) - g(40) of the r e s i d u a l function
T h e c o e f f i c i e n t s B (j,m) of the v i s c o s i t y
T h e c o e f f i c i e n t s b (i,n) of the t h e r m a l c o n d u c t i v i t y
T h e c o e f f i c i e n t s A(1) - A(8) of the H G K - v a p o r p r e s s u r e e q u a t i o n
T h e c o e f f i c i e n t s A(1) - A(12) in the E q . of the s a t u r a t e d liquid
T h e c o e f f i c i e n t s Z(1) - Z(12) in the E q . of the s a t u r a t e d v a p o r
P o l y n o m i a l c o e f f i c i e n t s A(1) - A(9) of the d e n s i t y of the liquid s p i n o d a l
P o l y n o m i a l c o e f f i c i e n t s C(1) - C(7) of the d e n s i t y of the v a p o r s p i n o d a l
P o l y n o m i a l c o e f f i c i e n t s A(1) - A(9) of the p r e s s u r e of the liquid s p i n o d a l
P o l y n o m i a l c o e f f i c i e n t s C(1) - C(8) of the p r e s s u r e of the v a p o r s p i n o d a l
P o l y n o m i a l c o e f f i c i e n t s A(1) - A(9) of the e n t r o p y of the s a t u r a t e d l i q u i d
P o l y n o m i a l c o e f f i c i e n t s A(1) - A(11) of the v i s c o s i t y in the s a t u r a t e d liquid
...
P o l y n o m i a l c o e f f i c i e n t s C(1) - C(9) of the v i s c o s i t y in the s a t u r a t e d v a p o r
....
C o e f f i c i e n t s A(1) - A(8) of the t h e r m a l c o n d u c t i v i t y in the s a t u r a t e d liquid
....
C o e f f i c i e n t s C(1) - C(9) of the t h e r m a l c o n d u c t i v i t y in the s a t u r a t e d v a p o r
....
P o l y n o m i a l c o e f f i c i e n t s A(1) - A(12) of dPjdp in the s a t u r a t e d liquid
P o l y n o m i a l c o e f f i c i e n t s C(1) - C(9) of dP/dp in the s a t u r a t e d v a p o r
P o l y n o m i a l c o e f f i c i e n t s A(1) - A(12) of 5 P / 5 7 in the s a t u r a t e d liquid
P o l y n o m i a l c o e f f i c i e n t s C(1) - C(10) of dP/dT in the s a t u r a t e d v a p o r
P o l y n o m i a l c o e f f i c i e n t s A(1) - A(12) of C in the s a t u r a t e d liquid
P o l y n o m i a l c o e f f i c i e n t s C(1) - C(10) of C in the s a t u r a t e d v a p o r
P o l y n o m i a l c o e f f i c i e n t s A(1) - A(9) of the f r e e e n t h a l p y of the s a t u r a t e d s t a t e s
C o e f f i c i e n t s of P ^ ( T )
P o l y n o m i a l c o e f f i c i e n t s U(1) - U(9) of the c o r r e c t i n g t e r m for P'SL
P o l y n o m i a l c o e f f i c i e n t s W(1) - W(6) of the c o r r e c t i n g t e r m for P'
P o l y n o m i a l c o e f f i c i e n t s A(1) - A(8) of P 2 5 0 ( T )
P o l y n o m i a l c o e f f i c i e n t s A(1) - A(10) of P 3 2 2 ( T )

33.

P o l y n o m i a l coefficients A(1) - A(10) of P400 ( T )

34.
35.
36.
37.
38.

sv

4
4
5
5
5
6
10
11
27
29
29
31
31
33
34
35
37
37
37
38
39
40
41
42
43
44
45
47
49
49
51
51

51

P o l y n o m i a l c o e f f i c i e n t s A(1) - A(10) of P 6 0 0 ( T )
P o l y n o m i a l c o e f f i c i e n t s A(1) - A(10) of P 8 0 0 ( T )
T a b l e of return c o d e s , I E C C H
T S O - p r o c e d u r e s in the d a t a s e t INR 1 0 5 . A Q U A . C L I S T
T h e r m a l p r o p e r t y l a b e l s " K L A S S E " u s e d in A Q U A . D A T A

52
52
151
154
156

Tables

1.0

Introduction

W a t e r is the most c o m m o n l y u s e d w o r k i n g s u b s t a n c e in c h e m i s t r y and e n g i n e e r i n g . It

is a l s o the c o o l i n g m e d i u m of the p r e s s u r i z e d and b o i l i n g w a t e r n u c l e a r r e a c t o r s . T h e r e fore a s o l i d k n o w l e d g e of the t h e r m o p h y s i c a l p r o p e r t i e s of the w a t e r in the r a n g e of
p o s s i b l e t e m p e r a t u r e s , p r e s s u r e s a n d d e n s i t i e s is e s s e n t i a l to c a l c u l a t e h a z a r d o u s
e v e n t s - w h i c h m a y e m e r g e o n c e in a w h i l e in a n o r m a l l y o p e r a t i n g reactor.
In the Institut fr N e u t r o n e n p h y s i k u n d R e a k t o r t e c h n i k w e are p r e s e n t l y d e v e l o p i n g a
t h e r m o h y d r o d y n a m i c a l c o d e , IVA3, / 2 1 / to be able to c a l c u l a t e the c o n s e q u e n c e s of
s o m e h y p o t h e s i z e d r e a c t o r f a i l u r e s . T o s u p p l y IVA3 with the t h e r m o p h y s i c a l p r o p e r t i e s
of the w a t e r w e a d o p t e d the H . G . K . - e q u a t i o n of state, d e v e l o p e d in the y e a r s 1981-84 by
H a a r , G a l l a g h e r a n d K e l l , / 1 0 / a n d r e c o m m e n d e d by the I A P S ( s. /12/). T h e
H . G . K . - e q u a t i o n of state c a l c u l a t e s the v a r i o u s t h e r m a l p r o p e r t i e s v i a a c o n t i n u o u s
H e l m h o l t z free e n e r g y f u n c t i o n , w h i c h is d e f i n e d o v e r the w h o l e r a n g e of the fluid s t a t e s
of w a t e r a n d is fitted to the a v a i l a b l e e x p e r i m e n t a l data.
T h e c o r r e s p o n d i n g c o m p u t e r c o d e d e s c r i b e d in /107 h a s s o m e d r a w b a c k s a n d d o e s n ' t
fit w e l l to our I V A 3 - c o d e . Item 1 : the c o d e d o e s n ' t d e s c r i b e the p r o p e r t i e s v i s c o s i t y ,
t h e r m a l c o n d u c t i v i t y a n d s u r f a c e t e n s i o n . Item 2 : the d e s c r i p t i o n of the p r o p e r t i e s in the
m i x e d state is u n p h y s i c a l . Item 3 : IVA3 n e e d s the t h e r m o p h y s i c a l p r o p e r t i e s a s f u n c t i o n s of the t e m p e r a t u r e a n d p r e s s u r e , w h e r e a s the H . G . K . - c o d e s u p p l i e s t h e m a s f u n c t i o n s of t h e t e m p e r a t u r e a n d d e n s i t y . A l t h o u g h t h e r e is a m o d u l in the H . G . K . - c o d e ,
D F I N D , w h i c h t u r n s t e m p e r a t u r e - p r e s s u r e s t a t e s of water into c o r r e s p o n d i n g t e m p e r a t u r e - d e n s i t y o n e s , yet D F I N D c o n s u m e s t o o m u c h t i m e d u r i n g the iteration - n e e d e d for
the c o n v e r s i o n of t h e s e s t a t e s .
In the f o l l o w i n g the c o d e A Q U A will be p r e s e n t e d .
A Q U A is an e x t e n s i o n of the H . G . K . - c o d e , m o d i f i e d to suit our s p e c i a l c o n d i t i o n s . In
the largest part of the t e m p e r a t u r e - d e n s i t y d o m a i n A Q U A returns the s a m e t h e r m o p h y s i c a l p r o p e r t y v a l u e s a s the H . G . K . - c o d e , but in the u n s t a b l e part of the t w o p h a s e r e g i o n
the H . G . K . - p r o p e r t i e s are s u b s t i t u t e d with p h y s i c a l l y m e a n i n g f u l t w o p h a s e state v a l u e s .
A Q U A c a l c u l a t e s at a g i v e n ( T , p ) state b e s i d e s of the p r e s s u r e a l s o the f o l l o w i n g
t h e r m a l p r o p e r t i e s of the w a t e r :

S , the s p e c i f i c e n t r o p y ,
the e n e r g y f u n c t i o n s
U, the s p e c i f i c e n e r g y ,
H, the s p e c i f i c e n t h a l p y ,
A , the s p e c i f i c f r e e e n e r g y ,
G , the s p e c i f i c f r e e e n t h a l p y ,
the p r e s s u r e d e r i v a t i v e s dPjdp a n d dP/dT,
the heat c a p a c i t i e s C and C ,
the d e r i v a t i v e s dHjdP a n d dpjdT
the v i s c o s i t y y\ a n d the t h e r m a l c o n d u c t i v i t y X,
the J o u l e T h o m s o n c o e f f i c i e n t , dT/dP \ H,
the s u r f a c e t e n s i o n , the v e l o c i t y of s o u n d and the P r a n d t l n u m b e r .
P

A Q U A c a l c u l a t e s the p r o p e r t i e s a l s o a s t e m p e r a t u r e - p r e s s u r e d e p e n d e n t f u n c t i o n s . It
i n c o r p o r a t e s a d d i t i o n a l f u n c t i o n s a n d p r o c e d u r e s to s p e e d up the ( T , P ) -> ( T , p )
conversion.
A Q U A h a s a set of r o u t i n e s ( S A E T 0 1 , W A S S E R , D A M P F , R D R D P , VD1 ) w h i c h s e r v e to
adjust A Q U A to the c o n d i t i o n s of the c o d e IVA3.
A Q U A n e e d s a n d r e t u r n s all the p r o p e r t i e s in S l - u n i t s .
A Q U A c a l c u l a t e s r e a s o n a b l e p r o p e r t y - v a l u e s if the t e m p e r a t u r e e x c e e d s 260.00 K a n d
if the d e n s i t y r e m a i n s b e l o w 1200 kg/m . T r y i n g to c o n v e r t p r e s s u r e s to d e n s i t i e s a b o v e
5000 K m a y lead to d i s s a t i s f a c t i o n .
3

Introduction

2.0 A short description of the H.G.K.-code

2.1 The Helmholtz

function

Haar, G a l l a g h e r a n d K e l l d e v e l o p e d a n d t e s t e d - in c l o s e c o o p e r a t i o n with the International A s s o c i a t i o n for the P r o p e r t i e s of S t e a m ( I A P S ) - a n a n a l y t i c d e s c r i p t i o n for the

t h e r m a l a n d c a l o r i c p r o p e r t i e s of t h e water, / 1 0 / to r e p l a c e t h e s t a n d a r d t a b l e s u s e d form e r l y . T h e r e s u l t i n g p r o p e r t i e s a r e t h e P r o v i s i o n a l I A P S F o r m u l a t i o n 1982 for t h e T h e r m o d y n a m i c P r o p e r t i e s of O r d i n a r y W a t e r S u b s t a n c e for S c i e n t i f i c a n d G e n e r a l U s e .
Haar, G a l l a g h e r a n d K e l l c o n s t r u c t e d their a l g o r i t h m by d e v e l o p i n g a m a t h e m a t i c a l
d e s c r i p t i o n for t h e H e l m h o l t z f u n c t i o n ( a l i a s f r e e e n e r g y ) A(p, T). U s i n g E q . [ A . 4 A . 5 ] o n e c a n d e v e l o p f r o m A all the n e e d e d t h e r m a l a n d c a l o r i c p r o p e r t i e s ( s . A p p e n dix A , " S o m e t h e r m a l r e l a t i o n s " ).
T h e d e s c r i p t i o n of t h e H e l m h o l t z f u n c t i o n c o n s i s t f r o m a s i m p l e b a s e function to d e s c r i b e t h e liquid a n d s u p e r c r i t i c a l s t a t e s , of a n a d d i t i o n a l r e s i d u a l f u n c t i o n for a p r o p e r
fitting in the m i x e d s t a t e s a n d of a s o l e l y t e m p e r a t u r e - d e p e n d e n t t e r m for t h e i d e a l g a s
states.
A ( p , T)

= A

( p, T)

base

( p, T)

resldua

+ A

i d e a l g a s

( T)

[2.1]

2.2 The base function

is a s i m p l e a n a l y t i c e q u a t i o n

Ase(P-

) =

-In

gas'T

(1 - y ) v

- l

- y

u++1
2.(1 - y )

5- +

.
+

4 y

a - + 3

(iL_/) _

"

+ In

C2.2]

P'Rgas'T

Po

In t h e a b o v e e q .

y =

[2- 3
3

is a d i m e n s i o n l e s s d e n s i t y ,

b = bi- V l n

+ E v ( t - V
j= 3

C2

'

4]

C 2

5 ]

'

is t h e 2 n d virial a n d

B =B, + S / ( T - ) '

is t h e e x c l u d e d v o l u m e . T h e p r e s s u r e a n d t e m p e r a t u r e c o e f f i c i e n t s a r e
P

= 1.01325 bar

resp.

T = 647.073 K
0

[2.6]

HGK

a n d the g r e e k letters m e a n
a =

11.

133/3

and

y =

3.5

T h e c o e f f i c i e n t s of the E q . s [2.4 ] , [2.5 ] are the f o l l o w i n g o n e s :

Table 1. The coeficients of the base function
b,(cm*lg)

B;(cm /g)

0.7478629

1.1278334

-0.3540782

0.0

0.0

-0.5944001

0.0

-5.010996

0.0

0.63684256

0.0

0.007159876
0.0
-0.003528426
Note:

2.3

T h e d e s c r i p t i o n s g i v e n in / 1 0 / for the 2nd virial a n d for the e x c l u d e d v o l u m e are

not in a c c o r d a n c e with t h o s e , u s e d in the routine B B . I d e s c r i b e h e r e t h e p r o p e r t i e s in a c c o r d a n c e with the routine B B .

The ideal gas function

h a s the f o l l o w i n g f o r m :

^idealgas (T)

-R 'T
gas

1+ ^

with

+ C j In (T ) + E ' * '
2

1 8

[2.8]

7/100 K

T h e C - s a r e g i v e n in the t a b l e b e l o w .
Table 2. The coeficients of the ideal gas function

C/

Cy

19.730271018

10

4.1238460633 1 0 -

20.9662681977

11

-2.7929052852 1 0 -

-0.483429455355

12

6.05743189245

'10-

13

-5.6473658748 1 0 -

22.56023885

14

1.6200446 1 0 -

-9.87532442

15

-3.303822796 1 0 -

-4.3135538513

16

4.51916067368 1 0 -

4.58155781 . 1 0 "

17

-3.70734122708 ' 1 0 -

1 4

-4.7754901883 ' 1 Q -

18

1.37546068238 ' 1 0 -

1 6

aqua

1.4481695261

10

12

2.4

The residual

function

h a s t w o parts :
A

0'

647.073 \

; ( 0
r

*m

,
L2.9]

40
/ = 37
T h e first 36 t e r m s a r e n e e d e d to fit t h e d e s c r i p t i o n to t h e e x p e r i m e n t a l data in t h e l o w
t e m p e r a t u r e m i x e d s t a t e s , the r e m a i n i g 3 t e r m s c o r r e c t t h e function in t h e v i c i n i t y of t h e
c r i t i c a l point.

s, =

are r e d u c e d d e n s i t i e s a n d t e m p e r a t u r e s .
are g i v e n in t h e f o l l o w i n g t a b l e s :

L z I l

[2

.10]

T h e coefficients u s e d by the residual function

Table 3. The exponents i(1 - i(40) of the residual function

0

Table 4. The exponents k(1 k(40) of the residual function

2

Table 5. The coefficients of the near-critical description in the residual function

i

37

38

39

40

a,

34.

40.

30.

1050.

20000

20000

40000

25.

P>

0.319

0.319

0.319

1.550

640.

640.

641.6

270.

HGK

Table 6. The coefficients g(1) - g(40) of the residual function

3

-.69830527374994 ' 1 0

.17863832875422 ^ l O

-.13855050202703 10

-.25637436613260 ' 1 0

.48212575981415 ' 1 0

.11797433655832 ' 1 0

-.21734810110373 ' 1 0

.10829952168620 ' 1 0

-.31377774947767 ' 1 0

.52911910757704 ' 1 0

-.13802577177877 ' 1 0

-.25109914369001 ' 1 0

-.72752773275387 ' 1 0

.41774246148294 ' 1 0

.14016358244614 ' 1 0

-.31555231392127 - 1 0

.40912664781209 ' 1 0

-.13626369388386 10

.69625220862664 ' 1 0

-.10834900096447 10

-.22722827401688 10

.38365486000660 10

.68833257944332 10

.21757245522644 * 1 0

-.26627944829770 ' 1 0

-.70730418082074 ' 1 0

-.53062968529023 10

.22744901424408 ' 1 0

-.39514731563338 10

.33803884280753 ' 1 0

-.34183016969660 ' 1 0

.12223156417448 10

-.25441998064049 10

.46561826115608 ' 1 0
.47929666384584 ' 1 0

-.225

.78779333020687 ' 1 0

-1.68

0.055

-93.0

T h e f o l l o w i n g f i g u r e s d i s p l a y t h e c o n t r i b u t i o n s of t h e b a s i c , ideal a n d r e s i d u a l f u n c tions to t h e total p r e s s u r e r e s p e c t i v e to t h e total heat c a p a c i t y at the b o i l i n g point a n d at

the t e m p e r a t u r e s 500 K a n d 800 K.

11

150

X RESIDURL

D.5 h

f
f

\
/

+ BHSE+IDERL"
TOTAL

i
500

7~*\

T - 3P3.15 K

1000
DENSITY IN KG/M3

T - 50D K

DENSITY IN KG/H3

-50

r-

X RESIDURL
+ BfiSE+IDERL
TOTAL

"I

'- f
y

0 "Lx

-i

too
50

Q.D

"

1
l
500

^
i

.
1

1 I

1000

T - 3?3.15 K

DENSITY IN KG/M3

T = 500 K

DENSITY IN KG/H3

F i g u r e 3 o n p a g e 14 d i s p l a y s t h e w a te r p r e s s u r e c a l c u l a t e d by t h e H . G . K . - c o d e a s a s u r f a c e of t h e t e m p e r a t u r e a n d the d e n s i t y .

2.5 The critical data

T h e H . G . K . - c o d e u s e s t h e f o l l o w i n g v a l u e s a s c r i t i c a l data of t h e w ater :

HGK

2.6

= 647.126K

The validity

= 22.0549 MPa

= 322Ag/m

[2.11]

domain

H a a r a n d G a l l a g h e r , / 1 3 / g i v e - in a c c o r d a n c e with t h e I A P S - the the f o l l o w i n g validity

limits for t h e H . G . K . - c o d e :
273 K <

T < 1273 K

P < 1500 MPa

Note:

[2.12]

T h e d e n s i t y s h o u l d b e l o w e r than 1 2 0 0 k g / m e s p e c i a l l y at l o w t e m p e r a t u r e s to
a v o i d getting n e g a t i v e v a l u e s for t h e heat c a p a c i t i e s a n d the p r e s s u r e d e r i v a t i v e s
dP/dT!

aqua

3.0

Transport properties of the water.

For the d e s c r i p t i o n of the v i s c o s i t y , of the t h e r m a l c o n d u c t i v i t y a n d of the s u r f a c e t e n s i o n A Q U A u s e s the I A P S - 8 2 e q u a t i o n s , r e c o m m e n d e d on the VIII. International C o n f e r e n c e on the P r o p e r t i e s of S t e a m / 9 / ( s e e a l s o / 1 0 / , / 1 1 / a n d / 1 6 / ).

Reduced variables
In d e s c r i b i n g the t r a n s p o r t p r o p e r t i e s of the w a t e r it is c o n v e n i e n t to i n t r o d u c e the following reduced variables :
P
P

Pk

_T_

= 317.763 kg/m"

= 647.27 K

[3.1]

22.115 MPa

a l o n g with the " i d e a l t e m p e r a t u r e " :

=
l d

3.1

[3.2]

150.7965 K

Rgas'Pk

Viscosity

With the r e d u c e d v a r i a b l e s the v i s c o s i t y c a n be d e s c r i b e d a s

5

V(P.T)

E E

= Vo( 7 ) * e x p

e 7m

- 1

.(r-1)"

[3.3]

j= 0m= 0

with the t e m p e r a t u r e - d e p e n d e n t a m p l i t u d e :

Vo(T)

10

[3.4]

Et7

/= o

T h e c o e f f i c i e n t s of the a m p l i t u d e are
AO = 0.0181583 , A l = 0.0177624 , A2 = 0.0105287 , A3 = -0.0036744
For the B-s in E q . [3.3]

s e e the t a b l e s u p p l i e d .

A, t], a

Table 7. The coefficients B (j,m) of the viscosity

3.2

m = 0

0.501938

0.235622

-0.274637

0.145831

-0.0270448

0.162888

0.789393

-0.743539

0.263129

-0.0273093

-0.130353

0.673665

-0.959456

0.347247

-0.0267758

0.907919

1.207552

-0.687343

0.213486

-0.08, ,:904

-0.551119

0.0670665

-0.497089

0.100754

0.0602253

0.146543

-0.084337

0.195286

-0.032932

-0.0202595

Thermal

conductivity

T h e t h e r m a l c o n d u c t i v i t y of all f l u i d s r e a c h e s in the vicinity of

a n o m a l o u s l y high v a l u e s ( s. e. g. 141 ). T h e f o l l o w i n g figure of
/ 1 6 / - s h o w s the t h e r m a l c o n d u c t i v i t y in the w a t e r on i s o b a r s ,
f r o m the h i g h - p r e s s u r e s i d e . T h e data p o i n t s - c o m p a r e d h e r e
I A P S c a l c u l a t i o n s - a r e m e a s u r e m e n t s of S i r o t a a n d a l . , 111.

c
Density, k g / m

the c r i t i c a l t e m p e r a t u r e
S e n g e r s - p r e s e n t e d in
n e a r i n g the c r i t i c a l o n e
with the c o r r e s p o n d i n g

Figure 1. Thermal conductivity of the steam in the critical region as a function of density at con
stant pressures

10

aqua

C o s e q u e n t l y B a s u a n d S e n g e r s p r o p o s e d a t w o - t e r m e d d e s c r i p t i o n for the t h e r m a l
c o n d u c t i v i t y . T h e first - r e g u l a r - t e r m of t h i s d e s c r i p t i o n has the s a m e f o r m a s t h e v i s c o s i t y , the s e c o n d t e r m d e s c r i b e s the near c r i t i c a l inflation of the t h e r m a l c o n d u c t i v i t y :
X{p,T)

X (p,
R

T)

AX(p,T)

[3.5]

T h e r e g u l a r t e r m is

X (p,

= X ( T) e x p

T )

-EZv(4--iW-D"
/=0n= 0

[3.6]

'

with the a m p l i t u d e

4 > ( n ^ - r

AJ

7k

k= 0

T h e c o e f f i c i e n t s of the a m p l i t u d e a r e
a0 = 2 . 0 2 2 2 3 , a l = 1 4 . 1 1 1 6 6 , a2 = 5 . 2 5 5 9 7
T h e b-s of the E q . [3.6]

, a3 = - 2 . 0 1 8 7 0

are tabulated as follows :

Table 8. The coefficients b (i,n) of the thermal conductivity

n

i = 0

1.329304600

1.7018363

5.2246158

8.7127675

-1.8525999

-0.404524370

-2.2156845

-10.124111

-9.5000611

0.9340469

0.244094900

1.6511057

4.9874687

4.3786606

0.0

0.018660751

-0.76736002

-0.27297694

-0.91783782

0.0

-0.129610680

0.37283344

-0.43083393

0.0

0.0

0.044809953

-0.11203160

0.13333849

0.0

0.0

T h e n o n r e g u l a r t e r m of the t h e r m a l c o n d u c t i v i t y is
L\X(P,

T)

v(p>
S e n g e r s call the

4 - ^ T)

( x r r - # - e x p [ - ^ - ( ? - 1 )

- - ( ? - 1 )
r

d7

property

dp
" r e d u c e d i s o t h e r m a l c o m p r e s s i b i l i t y " . A c t u a l l y , XT is t h e factor of the n o n r e g u l a r
w h i c h inflates the t h e r m a l c o n d u c t i v i t y , s i n c e

term,

A, n, a

11

dr

dp

dPldp

t u r n s infinite at the critical point.

With the relation
dp_

PK

dr

Pk '

dp
dp

XT c a n be c o n v e r t e d to

XT

Pk
a n d the p r e s s u r e d e r i v a t i v e in E q . [3.8]
t
r

to

dp

dl

7-P

T h e c o e f f i c i e n t s of the E q . [3.8]

[3.10]

dp/dp

dP

dT

'id

[3.11]

P?

are

A = 1 8 . 6 6 , B = 1.0 , C = 3.7711 ' I G " P a * s e c * W/(K*m)

8

0.7

0.6 h

-
-
0.5 '_ X

, co = 0 . 4 6 7 8

693.63 K
676.3D
667.36
654.67
652.64
651.00
649.16 K

D.4 h

0.3 h

D.2 h

0.1

5Q0

1D0

600

DENSITY IN K G / M 3

Figure 2. Thermal conductivity of the water on supercritical isotherms

F i g u r e 2 s h o w s the t h e r m a l c o n d u c t i v i t y o n s o m e s u p e r c r i t i c a l i s o t h e r m s .
m a l p r e s s u r e s at the c r i t i c a l d e n s i t y a r e :

12

The isother-

T / K

693.63

676.36

667.36

654.67

652.84

651.00

649.16

P322 / M P a

35.0

30.1

27.6

24.1

23.6

23.1

22.6

aqua

3.3 Surface tension

A c c o r d i n g to the I A P S W o r k i n g G r o u p III, 1975, / 9 / the s u r f a c e t e n s i o n of the w a t e r c a n
be d e s c r i b e d a s

[3.12]

with 7, = 647.15 K,
Note:

B = 0.2358 NIM,

b = -0.625 a n d

n = 1.256 .

A Q U A u s e s a s w e l l in E q . [3.1] a s in E q . [3.12] a s critical t e m p e r a t u r e the n o w

u s u a l l y a c c e p t e d v a l u e 7 = 647.126 K. A n attempt, to r e p l a c e in E q . [3.1] p =
317.763 kg/m
with the c o r r e c t v a l u e p = 322. kg/m
r e s u l t e d in a d r a s t i c d e c r e a s e of the t h e r m a l c o n d u c t i v i t y of the w a t e r at high d e n s i t i e s a n d had b e e n
g i v e n up.
C

A, t), a

13

Figure 3. Pressure surface of the water. H.G.K.-code

14

aqua

4.0

Thermal properties in the two phase region

4.1 Thermal states of the subcritical

water

At t e m p e r a t u r e s a b o v e the m e l t i n g a n d b e l o w the c r i t i c a l Point w a t e r c a n b e p r e s e n t not

o n l y as liquid or v a p o r but a l s o a s a m i x t u r e of both of t h e m . T h i s part of t h e s u b r e g i o n ,
t h e two p h a s e r e g i o n , or the " s a t u r a t i o n d o m e " is b o u n d e d by the " s a t u r a t i o n line ",
w h i c h is a c o l l e c t i o n of the s a t u r a t e d l i q u i d and the s a t u r a t e d v a p o r s t a t e s . O u t s i d e the
saturation d o m e the water is e i t h e r a c o m p r e s s e d liquid or an e x p a n d e d v a p o r .

Figure 4. Sketch of P,V diagram with saturation and spinodal lines. V = 1 / p

N o r m a l l y a n i s o t h e r m a l e x p a n s i o n of t h e water b e y o n d the s a t u r a t e d d e n s i t y ( p = p
) r e s u l t s in v a p o r i z i n g the w a t e r . A part of t h e water - a s large, a s n e e d e d to r e s t o r e t h e
v a p o r p r e s s u r e , P* ( d a s h e d line on the s k e t c h ) - t u r n s into v a p o r , to s u f f i c e t h e e q u i l i b rium conditions :
L

two phase region

15

P*(T)

= P(p ,T)
L

G(p ,T)
L

P(p ,T)

[4.1]

= G(p ,T)
v

[4.2]

U n d e r p a r t i c u l a r c i r c u m s t a n c e s ( rapid e x p a n s i o n , v e r y c l e a n w a t e r ) o n e c a n e x p a n d
t h e s a t u r a t e d w a t e r to a distinct d e g r e e , without t u r n i n g it into v a p o r a n d r e a c h a state
with a p r e s s u r e b e l o w the P ( for a d e t a i l e d d e s c r i p t i o n s e. g. / 1 5 / ). T h i s e x p a n d e d
w a t e r is k n o w n a s s u p e r h e a t e d ( liquid ) w a t e r . T h e s u p e r h e a t e d w a t e r is m e t a s t a b l e : it
t e n d s to turn into a m i x t u r e of s a t u r a t e d l i q u i d a n d v a p o r with the e q u i l i b r i u m p r e s s u r e
P \ T h e t h e o r e t i c a l limit of t h e e x p a s i o n of t h e liquid w a t e r is g i v e n by t h e h i g h e s t d e n s i ty v a l u e o n the i s o t h e r m , for w h i c h it h o l d s :
x

-g-(r,p)

= 0

[4.3]

a n d is k n o w n a s the ( liquid ) s p i n o d a l d e n s i t y , p LS i m i l a r l y n o r m a l c o m p r e s s i o n of the s a t u r a t e d v a p o r r e s u l t s in t u r n i n g a part of it into

l i q u i d water. B y c a r e f u l l y c h o s e n c o n d i t i o n s t h e v a p o r a l s o c a n b e c o m p r e s s e d in s o m e
extent a b o v e t h e s a t u r a t e d v a p o r d e n s i t y without d e v e l o p i n g w ater d r o p l e t s in it a n d t h e
v a p o r c a n r e a c h an o v e r h e a t e d state with a p r e s s u r e h i g h e r a s P * . A g a i n , the l i m i t i n g
d e n s i t y is the s m a l l e s t d e n s i t y , w h i c h fulfills E q . [4.3] a n d is c a l l e d t h e ( v a p o r ) s p i n o d a l d e n s i t y , p vO n the r e m a i n i n g part of t h e i s o t h e r m - lying b e t w e e n t h e s p i n o d a l d e n s i t i e s ( r e g i o n
of instability o n F i g u r e 4 ) - t h e w a te r c a n o c c u r o n l y a s a m i x t u r e of s a t u r a t e d l i q u i d a n d
vapor.
S

4.2

Water properties in the region of instability

Figure 5. Pressure of the water in the two phase region. T = 500 K

16

aqua

F i g u r e 5 s h o w s the w a t e r p r e s s u r e a l o n g a t y p i c a l
H.G.K, resp. A Q U A .
T h e c o d e A Q U A f o l l o w s the p r e s s u r e d e s c r i p t i o n
till the d e n s i t y of the v a p o r - s p i n o d a l and f r o m the
instable r e g i o n , b e t w e e n the s p i n o d a l points A Q U A
mixture :

i s o t h e r m a s c a l c u l a t e d by the c o d e s
of the H . G . K . - c o d e f r o m z e r o d e n s i t y
liquid s p i n o d a l o n w a r d . But in the
d e s c r i b e s the water a s a t w o p h a s e

P(P, T) = P\T)
dP*(T)
[4.4]

dT
dP (

T\

( s. d a s h e d line on F i g u r e 5 ). A 3 D - d i a g r a m of the p r e s s u r e of the w a t e r - a s A Q U A

c a l c u l a t e s it - is d e p i c t e d o n F i g u r e 14 on p a g e 24.
Note:

A Q U A still i d e a l i z e s the p r o g r e s s of the w a t e r p r e s s u r e a l o n g the i s o t h e r m . In

reality no liquid c a n be s t r e c h e d to r e a c h p a n d no v a p o r c a n be c o m p r e s s e d to
h a v e the d e n s i t y p - T h e limiting v a l u e s of t h e s u p e r h e a t e d p r e s s u r e in the w a t e r
c a n be s e e n o n F i g u r e 6. T h e m e a s u r e d p o i n t s a r e f r o m / 3 / .
SL

sv

630

640
TEMPERATURE

650
IN

Figure 6. Water pressures in the superheated liquid state

T h e F i g u r e 7 on p a g e 18 s h o w s the free e n t h a l p y of the w a t e r a l o n g the s a m e isoth e r m . H e r e a g a i n o u t s i d e of the r e g i o n of instability A Q U A a n d H . G . K , c a l c u l a t e i d e n t i c a l
v a l u e s , b e t w e e n the s p i n o d a l points A Q U A s e t s G e q u a l to the c o m m o n f r e e e n t h a l p y
value :
G(p, 7) = G (T)
L

[4.5]

G (T)
V

two phase region

17

yj -ISO

-450
0

1QD

200

300

400

500

' '

600

700

800

900

DENSITY IN KG/M"3

Figure 7. Free enthalpy of the water in the two phase region. T = 500 K

7.

nII

II

L_l

'

'

u
SC

+
-

CORRECTED
H.G.K. CODE

mlxBd

100

_L J

200

300

400

500

600

700

BOO

900

DENSITY IN KG/M3

Figure 8. Entropy of the water in the two phase region. T = 500 K

A s r e g a r d s to t h e e n t r o p y , o n e c a n c a l c u l a t e t h i s p r o p e r t y in t h e m i x e d state u s i n g t h e
density derivative [A.22]
as
dp

18

aqua

J_
n

I L
dT

dP
dT

[4.6]

w h i c h g i v e s in t h e r e g i o n of instability t h e f o l l o w i n g d e n s i t y d e p e n d e n c e :
dP (T)
x

S(p,T)

= S (T) + [ V -

\Z (T)]

[4.7]

dT

T h e free e n e r g y in t h e r e g i o n of instability ( s. F i g u r e 9 ) A Q U A c a l c u l a t e s f r o m the p r e s sure and free enthalpy via

A = G -

-200

[4.8]

P/p

'

'

1L.

'

I'

'

-300 h

-400 h
mixed

-500

H
+

-600

100

L_

200

300

CORRECTED
H.G.K. CODE

400

500

EDO

700

BOO

300

DENSITY IN KG/M3

Figure 9. Free energy of the water in the two phase region. T = 500 K
For the e n t h a l p y a n d the e n e r g y A Q U A u s e s t h e e q u a t i o n s
[4.9]

H = G + S'T
respectively
U = H -

[4.10]

Pip

T h e d e n s i t y d e r i v a t i v e of t h e e n e r g y is g i v e n by
ML
dp

[ 4

1 , ]

In t h e t w o p h a s e r e g i o n t h e d e r i v a t i v e s dH/dP a n d C a r e not d e f i n e d a l t o g e t h e r .
For t h e s o n i c v e l o c i t y in t h e r e g i o n of instability t h e first v e r s i o n of t h e E q . [ A . 2 3 ]
can be u s e d :
P

dP i
dp | s

two phase region

19

with
8P_
dp

dP"
dT

[4.13]

Figure 10. Sonic velocity of the water in the two phase region. T = 500 K
Not s o e a s y is to c a l c u l a t e the c o n s t a n t v o l u m e heat c a p a c i t y in t h e r e g i o n of instability.
T h e d e n s i t y d e r i v a t i v e in t h e t w o p h a s e r e g i o n
dc

d{T>dsidT)

dp

_ j _

dp

fp_

_jr_

d p*

dT

dT

[4.14]
2

s u p l i e s h e r e the d i f f e r e n c e t e r m :
AC (P,P )
V

T - ^ dT

(V

V)
L

[4.15]

B e s i d e s of t h e d i f f e r e n c e t e r m , o n e h a s a l s o to a c c o u n t for the C j u m p s , at t h e p l a c e s ,
w h e r e t h e i s o t h e r m c r o s s e s the s a t u r a t i o n line r e s p . w h e r e the liquid or t h e v a p o r t u r n s
into a v a p o r - l i q u i d m i x t u r e ( s. / 1 / , 121,151, / 8 / ) . S i n c e dPjdT s h o w s h e r e a d i s c o n t i n u i t y ,
s o d o e s a l s o C . At the s a t u r a t e d liquid t h i s d i s c o n t i n u i t y a m o u n t s to
v

C (p
v

20

- 0) -

C (p )
v

- - f f (p )]
L

in t h e a b o v e e q . is the l o g a r i t h m i c d e r i v a t i v e of the s a t u r a t i o n line :

aqua

[4.16]

T h e f o l l o w i n g f i g u r e d i s p l a y s s u c h C r j u m p s , m e a s u r e d in nitrogen a l o n g different i s o chores.

O n e - and two p h a s e
C results
for nitrogen
at s e v e r a l
amount-of-substance
densities.
v

after L. A . W e b e r , / 6 / .

T/K

T h e E q s . [4.15], [4.16]
of instability :

t o g e t h e r g i v e the f o l l o w i n g heat c a p a c i t y function in the r e g i o n

Figure 11. Heat capacity - C - of the water in the two phase region. T = 500 K
Y

For a ( T , p ) - s u r f a c e of the heat c a p a c i t y of the w a t e r - c a l c u l a t e d by A Q U A - s e e

F i g u r e 15 o n p a g e 25 r e s p . F i g u r e 16 on p a g e 26.

two phase region

21

In c a l c u l a t i n g the t h e r m a l c o n d u c t i v i t y in the two p h a s e r e g i o n A Q U A u s e s in the different s u b r e g i o n s different a l g o r i t h m s . In the s u p e r h e a t e d liquid a n d s u b c o o l e d v a p o r

t h e function - d e s c r i b e d in 3.0, " T r a n s p o r t p r o p e r t i e s of the w a t e r . " , E q . [3.5] ff. - is
u s e d a s w e l l a s o u t s i d e the s a t u r a t i o n d o m e .
In the r e g i o n of instability A Q U A c a l c u l a t e s the t h e r m a l c o n d u c t i v i t y u s i n g the f o l l o w ing a p p r o x i m a t i o n : the liquid part of the w a t e r in this s u b r e g i o n is d i s t r i b u t e d h o m o g e n e o u s l y - a s a m u l t i t u d e of tiny d r o p l e t s - in the v a p o r part of the w a t e r . T h i s m i x t u r e is
f u r t h e r m o r e static in its b e h a v i o u r , s o t h e c o n v e c t i v e part of the heat t r a n s f e r c a n b e
n e g l e c t e d . T h e a p p r o x i m a t i o n a b o v e a l l o w s to c a l c u l a t e in the r e g i o n of instability t h e
t h e r m a l c o n d u c t i v i t y f r o m the t h e r m a l c o n d u c t i v i t i e s of t h e s a t u r a t e d s t a t e s - X , X - a s
follows :
L

[4.19]

+ x'-(X

X)
v

( s. 151, E q . 71 ). x in t h e e q . a b o v e is
3 / P ~ Pv
PL~ Pv

[4.20]

F i g u r e 12 s h o w s the t h e r m a l c o n d u c t i v i t y of t h e w ater a l o n g the 500 K - i s o t h e r m . T h e

s p i k e s in t h e vicinity of the s p i n o d a l p o i n t s a r e a c o n s e q u e n c e of t h e d e s c r i p t i o n [3.8],
u s i n g BP/dp - w h i c h v a n i s h e s at t h e s p i n o d a l s - in the d e n o m i n a t o r .

II

'

'

'

'

0.7

0.6

0.5 h

0.1

mixed

re

200

BOO

40D

500

700

800

BOO

DENSITY IN KG/M"3

Figure 12. Thermal conductivity of the water in the two phase region. T = 500 K
A s w e l l a s t h e t h e r m a l c o n d u c t i v i t y , t h e v i s c o s i t y is a l s o a t r a n s p o r t p r o c e s s , t h e
t r a n s p o r t of t h e m o n e n t u m . S o A Q U A c a l c u l a t e s the v i s c o s i t y by a p r o c e d u r e , v e r y s i m i lar to the o n e , u s e d for t h e c a l c u l a t i o n of t h e t h e r m a l c o n d u c t i v i t y .
At the s a t u r a t i o n d e n s i t i e s t h e r\ f u n c t i o n E q . [3.3]- [3.4] - w i l l b e c o n t i n u e d until t h e
s p i n o d a l s a r e r e a c h e d . In the r e g i o n of instability A Q U A u s e s the s a m e f l u i d - m o d e l , a s
in the c a s e of the t h e r m a l c o n d u c t i v i t y to c a l c u l a t e t h e v i s c o s i t y f r o m t h e s a t u r a t e d v i s c o s i t i e s r\ , t]v- T h e r e s u l t i n g e q u a t i o n is :
L

22

aqua

F i g u r e 13 s h o w s the w a t e r - v i s c o s i t y a s c a l c u l a t e d by A Q U A a l o n g the 500 K - i s o t h e r m .

DENSITY IN KG/M3

Figure 13. Viscosity of the water in the two phase region. T = 500 K

two phase region

23

Figure 14. Pressure surface of the water. AQUA

24

aqua

Figure 15. Heat capacity surface of the water. AQUA. View from the cold side.

two phase region

25

Figure 16. Heat capacity surface of the water. AQUA. View from the liquid side.

26

aqua

5.0

Describing the water properties in the saturated states

In o r d e r to be a b l e to c a l c u l a t e the w a t e r p r o p e r t i e s in the r e g i o n of instability A Q U A

n e e d s a s e r i e s of t h e r m a l p r o p e r t i e s of the w a t e r in the s a t u r a t e d s t a t e s ( s.
e.g.
E q . [4.18] ). To s p e e d up the c a l c u l a t i o n s A Q U A d o e s n ' t c a l c u l a t e t h e s e p r o p e r t i e s ( P ,
p, dP/dp, dPjdT, C , A, etc ) d i r e c t l y , but u s e p r e - d e f i n e d t e m p e r a t u r e - f u n c t i o n s of the
c o r r e s p o n d i n g p r o p e r t i e s . In c o n s t r u c t i n g t h e s e t e m p e r a t u r e - f u n c t i o n s great c a r e w a s
taken
x

to h a v e n e g l i g i b l e d e v i a t i o n s to the H . G . K v a l u e s a n d
to s h o w the c o r r e c t b e h a v i o u r in the vicinity of t h e c r i t i c a l point.
T h e r e m a i n i n g part of this c h a p t e r d e s c r i b e s t h e t e m p e r a t u r e - d e s c r i p t i o n s of t h e s e p r o p e r t i e s of t h e w a t e r in the s a t u r a t e d s t a t e s .

5.1 Describing the saturation line of the water

The saturation pressure
Haar, G a l l a g h e r a n d K e l l d e s c r i b e t h e v a p o r p r e s s u r e of the w a t e r ( at t e m p e r a t u r e s ,
e x c e e d i n g 314 K ) a s a f u n c t i o n of the s c a l e d t e m p e r a t u r e
= 1 -

-f'c

[5.1]

r s p . of t h e s q u a r e root of it
w =

[5.2]

as follows :
8
lnP

lnP

YJ 1* ~^

WS

'

In the a b o v e E q . H . G . K , u s e c r i t i c a l data
T

= 647.25 K

= 22.093 MPa

[5.4]

w h i c h differ m a r k e d l y f r o m their r e g u l a r y u s e d v a l u e s E q . [2.11] .

T h e p o l y n o m i a l c o e f f i c i e n t s , Aj a r e :
Table 9. The coefficients A(1) A(8) of the HGK-vapor pressure equation
1

-7.8889166

2.5514255

-6.716169

33.239495

-105.38479

174.35319

-148.39348

48.631602

A Q U A u s e s , i n s t e a d of t h e E q . [5.3] a d e s c r i p t i o n , p r o p o s e d by W a g n e r a n d S a u l at the
c o n f e r e n c e in M o s c o w , / 1 4 / . T h e W & S - e q u a t i o n n e e d s o n l y 6 c o e f f i c i e n t s a n d yet r e p r e -

saturated states

27

s e n t the m e a s u r e d v a p o r p r e s s u r e data w i t h i n their e x p e r i m e n t a l u n c e r t a i n i t y ( s e e F i g u r e 17 ).

Fig. t. Relative deviations Ap s-(P , P . i^

P , xp * the experimental
vapour
pressures from values calculated with E q . (5). A Osborne et a l . (140, + Rivkin et al. 6J,
O Stimson [13], * G u i l d n e r et a). [12], O H a n a f u s a et al. 117Q, X K a w a i et a l . U8J,
t Kell et a l . [19]
0

exp

$ ca

s e

Figure 17. Vapor pressure formula of Wagner and Saul

T h e W & S - e q u a t i o n has the s a m e f o r m a s the H . G . K , o n e , E q . [5.3]

13

InP* =

lnP

Y j

o n l y the c r i t i c a l data a n d the c o e f f i c i e n t s differ.

7

= 647.14 K

~ ^

[5.5]

= 22.064 MPa

[5.6]

i '

7= 1

They use
c

a s c r i t i c a l data a n d
A/

-7.85823

1.83991

22.6705

-15.9393

A/

13

-11.7811

1.77516

^ ' ^
5

as p o l y n o m i a l - c o e f f i c i e n t s . In c a l c u l a t i n g the v a p o r p r e s s u r e A Q U A u s e s h e r e a l s o the
c r i t i c a l data of Haar, G a l l a g h e r a n d K e l l ( E q . [2.11] ) i n s t e a d of the data [5.6] .
A s w e l l a s in the H . G . K . - c o d e , P* of E q . [5.5]
is for A Q U A o n l y an a p p r o x i m a t e d
p r e s s u r e . T h e t r u e v a p o r p r e s s u r e is c a l c u l a t e d f r o m this first v a l u e by c o r r e c t i n g the
s a t u r a t e d d e n s i t i e s till the E q . s [4.1 - 4.2] a r e s a t i s f i e d .

28

aqua

The saturation line

T h e s a t u r a t e d d e n s i t i e s are n e e d e d not o n l y a s limiting b o r d e r s , but a l s o a s p r o p e r t i e s
of their o w n v a l u e . T h e c a c l u l a t i o n of v a r i o u s t h e r m a l p r o p e r t i e s in the r e g i o n of i n s t a b i l ity r e q u i r e s m o s t l y the s a t u r a t e d d e n s i t i e s a n d in s o m e c a s e s their t e m p e r a t u r e d e r i v a t i v e s too ( s. e . g . E q . [4.18] ). C o n s e q u e n t l y o n e n e e d s not o n l y s m o o t h f u n c t i o n s for
the s a t u r a t e d d e n s i t i e s , but f u n c t i o n s with s m o o t h t e m p e r a t u r e d e r i v a t i v e s .
T h e H . G . K . - c o d e c a l c u l a t e s - b e l o w 646.3 K - P , p and p by s e a r c h i n g for s t a t e s
(J,p )
r e s p . (T,pv) with e q u a l free e n t h a l p y v a l u e s ( E q . s [4.1 - 4.2 ] ). T h e c o r r e s p o n d i n g e q u a l p r e s s u r e s define t h e n P ( T ) . A b o v e 646.3 K H a a r , G a l l a g h e r , a n d K e l l
u s e " s c a l e d " e q u a t i o n s for the s a t u r a t e d d e n s i t i e s :
x

PL(T)

1 +

Pc

2.04077/
[5.8]

Pv(T)

1 -

Pc

2.04077/

with the critical e x p o n e n t = 0.325, w i t h o u t c o r r e c t i n g the d e n s i t i e s for c o m m o n f r e e

enthalpy.
A Q U A d e s c r i b e s - a s w e l l a s the v a p o r p r e s s u r e - the s a t u r a t i o n line a l s o with the
7c-related v a r i a b l e s T a n d w, E q . s [5.1 ] , [5.2 ] .
Below 620 K the d e n s i t y of the s a t u r a t e d liquid is d e s c r i b e d with a p o l y n o m i a l of w,
12

PL(T)

= P 'J]Aj>w -'
J

[5.9]

Table 10. The coefficients A(1) A(12) in the Eq. of the saturated liquid
1

6.072746418

-149.9456089

2121.007381

-17164.83301

90176.84684

-323045.6094

805443.5472

-1398515.305

1658696.365

10

-1281195.416

11

580741.4278

12

-117181.9097

In the c a s e of the saturated v a p o r i n s t e a d of the d e n s i t y , the factor of reality is d e s c r i b e d by a p o l y n o m i a l of w :

Table 11. The coefficients Z(1) Z(12) in the Eq. of the saturated vapor
1

-1.125999398

42.15284538

-538.0831003

4150.173161

-20809.47751

71295.07069

-170444.6088

284498.9747

-325135.7165

10

242459.309

11

-106255.203

12

20747.6267

saturated states

29

A s w e l l for the l i q u i d , a s for the v a p o r the p o l y n o m i a l - c o e f f i c i e n t s w e r e fitted to p r o p e r t i e s , c a l c u l a t e d by the H . G . K - c o d e . T h e v a p o r p r e s s u r e in E q . [5.10] w a s c a l c u l a t e d by

the W & S f o r m u l a .
Above 620 K A Q U A u s e s p r a c t i c a l l y the s a m e s c a l e d d e s c r i p t i o n , a s the H . G . K c o d e (
E q . [5.8] ) o n l y fitting t a i l s had b e e n a d d e d :
PL(T)

Pc[

1 +

2.03/

T(U,+T

(U

+ T

T(W,+T

(W

+ T

U ))]

[5.11]
Pv(T)

Pc-[

1 -

2.03-/

W ))]
4

T h e c o e f f i c i e n t s of the fitting tails

U, = 3.075668853
W, =

1.451962241

-19.58060683

-5.041325559

1383.086689
611.1810749

had b e n c a l c u l a t e d by d e m a n d i n g a d o u b l e - s m o o t h c o n n e c t i o n
L(T )
s

= f (T )
+

f'_(Ts)

= f' (T )
+

f".(T ) = f'\(T )
s

[5.12]

for t h e m to the low-T f o r m u l a s at T = 620 K. ( s e e A p p e n d i x B, " D e r i v a t i v e s of s o m e

s a t u r a t e d p r o p e r t i e s " o n p a g e 71 ).
T h e s a t u r a t e d d e n s i t i e s , c a l c u l a t e d by the E q . s [5.9 - 5.11] a r e a g a i n o n l y a p p r o x i m a t e d o n e s . A Q U A c o r r e c t s t h e m - b e l o w 646.0 K - to fulfil the E q . s [4.1 - 4.2]
( s.
A p p e n d i x C , " A d j u s t i n g the s a t u r a t e d s t a t e s " o n p a g e 75 ).
s

5.2

Describing the spinodals

Calculating the spinodals of the water.

T h e s p i n o d a l s of the w a t e r a r e e s s e n t i a l for the c o d e A Q U A : the s p i n o d a l d e n s i t i e s a r e
n e e d e d a s d o m a i n b o r d e r s for t h e c a l c u l a t i o n s in the s a t u r a t i o n d o m e , the s p i n o d a l
p r e s s u r e s a r e n e d e d a s p r e s s u r e b o u n d s in c o n v e r t i n g the p r e s s u r e s to d e n s i t i e s .
In o r d e r to c a l c u l a t e the d e n s i t i e s of the s p i n o d a l s o n e has to find the n e a r e s t roots of
t h e E q . [4.3]
on the i s o t h e r m s in the v i c i n i t y of the s a t u r a t e d d e n s i t i e s . In the c o d e p a c k a g e A Q U A t h e r e is a p r o g r a m H G K S P N w i c h c a l c u l a t e s - u s i n g the r o u t i n e s Q U A D O ,
M O N I K A a n d S O R B E T - the d e n s i t i e s a n d p r e s s u r e s of the s p i n o d a l s of the w a t e r .
H G K S P N c a l c u l a t e s dPjdp at different d e n s i t i e s on a n i s o t h e r m u s i n g the H . G . K . - c o d e .
Q U A D O s e l e c t s 3 a d j a c e n t d e n s i t i e s n e a r e s t to the root of E q . [4.3]
a n d fits a 2.
g r a d e p o l y n o m i a l - Q - to t h e m .
M O N I K A is n e e d e d o n l y to e n s u r e , that the d e n s i t i e s a r e p r o p e r l y o r d e r e d . Q U A D O
s o l v e s the r e s u l t i n g q u a d r a t i c e q u a t i o n
2

Q (p) =
2

a n d s e l e c t s the a p p r o p r i a t e root a s the first a p p r o x i m a t i o n for the s p i n o d a l d e n s i t y , p uS O R B E T d i s c a r d s n o w o n e of the first 3 d e n s i t y v a l u e s - the d e n s i t y , with the w o r s t
fitting - a n d r e p l a c e s it with p t\- T h e s e 3 d e n s i t i e s a r e t h e n r e t u r n e d to Q U A D O a n d a
n e w root for dP/dp, p
will be c a l c u l a t e d . T h e p r o c e d u r e e n d u r e s , till E q . [4.3]
is
fulfilled with s u f f i c i e n t a c c u r a c y .
S

SL2

30

aqua

The spinodal densities

F i g u r e 18. s h o w s the n e a r - c r i t i c a l part of t h e c a l c u l a t e d s p i n o d a l d e n s i t i e s . A s o n e c a n
s e e , a b o v e the t e m p e r a t u r e of 635 K the s p i n o d a l l i n e s get m o r e a n d m o r e i r r e g u l a r in
s h a p e . A b o v e T = 646.3 K the H . G . K , c o d e p r o h i b i t e s a l t o g e t h e r the c a l c u l a t i o n of t h e
spinodals.

cn

460 r

63B.

643.

64B.
TEMPERRTURE

IN

Figure 18. Spinodal densities in the vicinity of the critical point

A Q U A d e s c r i b e s the s p i n o d a l d e n s i t i e s - in the s a m e w a y a s the s a t u r a t e d d e n s i t i e s - a s
f u n c t i o n s of w r e s p . T ( s. E q . [5.1 - 5 . 2 ] ) .
Below 620 K the d e n s i t y a s w e l l of the l i q u i d , a s of t h e v a p o r s p i n o d a l is a p p r o x i m a t e d
with p o l y n o m i a l s
9
PSL(T)

P c ' X
y=i

7
A

J'

~'

'

PsviT) =

PC-YJ 1' ~
y=i
C

WJ

Table 12. Polynomial coefficients A(1) - A(9) of the density of the liquid spinodal
1

1.911888766

-16.54157899

179.7358194

-940.1374463

2957.964417

-5752.429056

6772.987553

-4428.001759

1234.441322

Table 13. Polynomial coefficients C(1) - C(7) of the density of the vapor spinodal
1

0.9201508683

-2.159701944

-0.2932760492

6.324940268

-10.49597891

8.78261245

-3.119252324

saturated states

31

T h e c o e f f i c i e n t s in E q . [5.13]
by H G K S P N .

w e r e fitted to the liquid r e s p . v a p o r d e n s i t i e s c a l c u l a t e d

Above 620 K the s p i n o d a l d e n s i t i e s of t h e H . G . K . - i s o t h e r m s are not r e l i a b l e to b e u s e d

a s a fitting s o u r c e . Instead of u s i n g t h e m , a [5.11] - t y p e n e a r - c r i t i c a l e x t e n s i o n
PSLCO

= Pc[

+ - *^

4 0

+ r(U,+r

(U + T

U ))]
4

[5.14]
P s v C O = Pc ' [ 1

1.40-/

+ TO^+TO^ + T ^))]
2

was constructed.

TEMPERRTLIRE , K

Figure 19. Saturation and spinodal densities of the water

p a n d in E q . [5.14]
c

e n s u r e , that for all n e a r - c r i t i c a l i s o t h e r m s t h e

Pv

<

Psv

<

Pc

<

PSL

<

density-relation

PL

h o l d s . T h e c r i t i c a l a m p l i t u d e - 1.4 in E q . [5.14] - w a s f o u n d by c o m p a r i n g the r e s u l t s of

E q . [5.14] with the H . G . K . - d a t a at t e m p e r a t u r e s a b o v e 640 K. T h e c o e f f i c i e n t s of the
fitting t a i l s
{/,

= 0.4871717941

W, =

1.132819731

= 24.26899415

-30.70131059

-2461.494028

3324.944936

a r e c a l c u l a t e d a g a i n - a s in the c a s e of t h e s a t u r a t e d d e n s i t i e s - by d e m a n d i n g d o u b l e
s m o o t h c o n n e c t i o n s at 620 K.
F i g u r e 19 d i s p l a y s t h e s a t u r a t e d a n d t h e s p i n o d a l d e n s i t i e s a s f u n c t i o n s of the t e m p e r a t u r e . It is i n t e r e s t i n g to note that the m e a n s p i n o d a l
PSM = (PSL +

32

aqua

Psv)/2

is a linear f u n c t i o n of the t e m p e r a t u r e .

The spinodal pressures

HQ

tr.
LI

-i

-|

cn
E

iLl

cn
cn
-40

-80

-120 h

-1BD

2B0

360

460

560

660
TEMPERATURE , K

Figure 20. Pressures on the spinodals of the water

In the vicinity of t h e c r i t i c a l point the s p i n o d a l p r e s s u r e s - like the d e n s i t y - are not a c c e s s i b l e v i a the H . G . K . - c o d e . M o r e o v e r , at e v e r y s u b c r i t i c a l T the p r e s s u r e relation
PSL(T)

<

P (T)
X

<

P (T)
SV

m u s t h o l d . T o c o p e with t h e s e c o n d i t i o n s A Q U A a p p r o x i m a t a t e s b e l o w 620 K the s p i n o d a l p r e s s u r e s - c a l c u l a t e d by H G K S P N - with T- p o l y n o m i a l s and d e s c r i b e s - n e a r T their d e v i a t i o n s f r o m P \

c

Below 620 K the p r e s s u r e s a r e d e s c r i b e d a s :

g
PSLCO

PsvCO

c , V -

[5.16]

7= 1

7-1

Table 14. Polynomial coefficients A(1) - A(9) of the pressure of the liquid spinodal
1

-0.001387361801

0.1510341901

1.980521347

2.921317875

-38.3240633

162.2329521

-384.0027285

479.3961544

-264.1248035

saturated states

33

Table 15. Polynomial coefficients C(1) C(8) of the pressure of the vapor spinodal
1

-0.0007497146775

0.162845372

-0.3190428782

-1.582269493

6.787420254

-10.41333815

7.599390008

-2.285884902

Above

620 K the d e s c r i p t i o n s are :

P (T)
SL

(7)

4.98'1U ' ^

IVT

[5.17]

P (T)
SV

= P*(T) + 2 . 0 0 ' 1 0 y
8

Wj'T

)= 1

T h e p o l y n o m i a l s in E q . [5.17]
Ui =
=

v a n i s h at t h e c r i t i c a l point a s T. T h e i r c o e f f i c i e n t s

0.05235363429

L/ =

4.419437236

L/ =

-18.86727538

0.1103469546

Wo =

0.913150777

IV, =

-10.87001272

h a d b e e n g a i n e d by u s i n g d o u b l e s m o o t h c o n n e c t i o n s at 620 K.

5.3

The entropy on the saturation

line

Figure 21. Entropy on the saturation line of the water

34

aqua

T h e entropy in t h e s a t u r a t e d s t a t e s s h o w a c o u r s e s i m i l a r to the c o u r s e of t h e s a t u r a t e d
d e n s i t i e s . C o n s e q u e n t l y A Q U A e m p l o y s - for the d e s c r i p t i o n of t h e e n t r o p y of the s a t u rated liquid - a f o r m u l a , s i m i l a r to the o n e u s e d for t h e d e s c r i p t i o n of the s a t u r a t e d d e n sities.
Below 620 K t h e e n t r o p y of t h e saturated liquid - c a l c u l a t e d by t h e H . G . K , c o d e - is d e s c r i b e d with a w - p o l y n o m i a l ( s . E q . [5.1 - 5.2] )

SLCO

J' w

S 'X!

7-1

[5.18]

7= 1
Table 16. Polynomial coefficients A(1) - A(9) of the entropy of the saturated liquid
1

0.9528621116

0.2725494325

-8.457375782

44.57631748

-150.7441559

311.7914429

-391.8528748

273.5529633

-82.2848053

9 ^

4.6

VRPQR

VAPOR /

H.G.K.

LIQUID /

H.D.K.

JS

LIQUID
i

648.

638.
T IN

Figure 22. Entropy of the saturated states in the vicinity of T

Above 620 K t h e e n t r o p y of t h e liquid is d e s c r i b e d with a " v a p o r - l i k e " s c a l e d f o r m u l a :

S (T)
L

= S -[ 1 c

0 . 2 5 - / + T (L7 + T (U + T U ))]
2

[5.19]

T h e critical e n t r o p y a n d t h e s c a l e d a m p l i t u d e
S

9.43-R

g a s

and

= 0.25

[5.20]

h a d b e e n d e t e r m i n e d by fitting a s w e l l E q . [5.19], a s t h e c o r r e s p o n d i n g f o r m u l a for t h e

e n t r o p y of t h e v a p o r to t h e H . G . K . - v a l u e s a b o v e 635 K. T h e c o e f f i c i e n t s

saturated states

35

I/,

-1.23383958

-1.656615363

L/ = 911.5375812
4

result f r o m u s i n g a d o u b l e s m o o t h e x t e n s i o n to h i g h e r t e m p e r a t u r e s at the s w i t c h i n g
point.
T h e e n t r o p y on t h e s a t u r a t e d v a p o r n e e d s no e x t r a d e s c r i p t i o n , it c a n b e c a l c u l a t e d
f r o m S by the e q . of C l a u s i u s & C l a p e y r o n
L

(J

5.4 The transport properties on the saturation

line

T h e f o l l o w i n g d e s c r i p t i o n s for t h e v i s c o s i t y r e s p . t h e r m a l c o n d u c t i v i t y in t h e s a t u r a t e d
s t a t e s w e r e c o n s t r u c t e d by c a l c u l a t i g the p r o p e r t i e s on the s a t u r a t i o n line with t h e a l g o r i t h m s , d e s c r i b e d in 3.0, " T r a n s p o r t p r o p e r t i e s of the w a t e r . " o n p a g e 9 a n d a p p r o x i m a t ing t h e s e v a l u e s with a d e q u a t e f u n c t i o n s .

The viscosity

Figure 23. Viscosity of the water in the saturated states

In d e s c r i b i n g the v i s c o s i t i e s in t h e c o l d l i q u i d r e s p . v a p o r different f u n c t i o n s of t h e criti c a l v a r i a b l e w ( E q . [5.2] ) w e r e u s e d :
g
VL(T)

- - r r - ^
7=1

36

aqua

vv(T>

=vEc/'*'"'

O ]

Table 17. Polynomial coefficients A(1) - A(11) of the viscosity in the saturated liquid
1

0.945822019

-3.50567042

23.61506749

-176.2217806

960.5599634

-3533.866457

8609.716158

-13637.7187

13435.90472

10

-7453.116048

11

1776.272412

Table 18. Polynomial coefficients C(1) C(9) of the viscosity in the saturated vapor
1

0.9733280423

-4.061585251

20.72025593

-80.06616536

214.64856

-384.6194719

433.0818384

-278.1018786

78.25010044

In t h e vicinity of T d e n s i t y - l i k e f o r m u l a s w e r e a d a p t e d :
c

VLCO

*/ *h

^.50^T

T ( U , + T (U

+ T L/ ))]
2

[5.22]
VviO

Vc L

+ T

(IV + T IV ))]
2

The polynomial coefficients

U, = 4.669845392

U =

-19.58930391

U =

W, = 4.262680597

W =

-34.89896734

W = 2452.105565

1768.652432

w e r e c a l c u l a t e d u s i n g t h e r e s t r i c t i o n s of d o u b l e - s m o o t h c o n n e c t i o n s at 620 K to t h e
" c o l d " d e s c r i p t i o n s . B y c o m p a r i n g t h e f u n c t i o n s [5.22] with t h e c a l c u l a t e d v i s c o s i t i e s
a b o v e 635 K the b e s t fitting g i v e s the f o l l o w i n g critical v i s c o s i t y :
tj

= 3.95' 1 0 ~

Pa'sec

[5.23]

The thermal conductivity

A Q U A d e s c r i b e s the t h e r m a l c o n d u c t i v i t i e s in t h e w h o l e T - r e g i o n a s f u n c t i o n of r.
620 K the f o l l o w i n g p o l y n o m i a l s w e r e u s e d :
8

Below

hen = X V

wo

= Z r'~'
c

Table 19. Coefficients A(1) - A 8) of the thermal conductivity in the saturated liquid
1

0.397252283

1.361430056

0.2886579476

-1.137153088

-75.20016424

333.88123

-546.0632435

311.575529

saturated states

37

Table 20, Coefficients C(1) - C 9) of the thermal conductivity in the saturated vapor
1

0.2012600289

-2.546881317

19.24073027

-79.8925815

178.6322576

-195.5137779

62.06051011

38.86696488

-15.11624233

D.D

Figure 24. Thermal conductivity of the water as function of the temperature

At the c r i t i c a l point the t h e r m a l c o n d u c t i v i t y a p p r o a c h e s infinty a s
i OCT"

[5.25]

C o n s e q u e n t l y a b o v e 620 K the f o l l o w i n g n e a r - c r i t i c a l d e s c r i p t i o n s had b e e n a p p l i e d :

J-1

[5.26]

;=1

y=i

T h e first c o e f f i c i e n t s of the a p p e n d e d p o l y n o m i a l s are e q u a l :

U, =

= 0.02 .

F o r the r e m a i n i n g c o e f f i c i e n t s the c o n d i t i o n of the d o u b l e s m o o t h c o n t i n u a t i o n at 620 K

gives :
U

-31.16080409

421.0825394

-2390.608760

0.7221916099

495.59365880

aqua

2.484618723

38

-29.169893490
Wc =

-3169.2527940

5.5

Other saturated

properties

T h e f o l l o w i n g p r o p e r t i e s are all d e s c r i b e d in A Q U A a s f u n c t i o n s of the s c a l e d t e m p e r ature T, o n l y the f o r m of the f u n c t i o n s differ in the c o l d ( T < 620 K ) a n d in the n e a r - c r i tical ( T > 620 K ) part of s a t u r a t i o n line. B e l o w 620 K r - p o l y n o m i a l s w e r e fitted to the
p r o p e r t y - v a l u e s c a l c u l a t e d with the H . G . K , c o d e . A b o v e 620 K s c a l e d d e s c r i p t i o n s ( s.
e . g . E q . [5.30] ) a r e u s e d . T h e v a l u e s of the critical p a r a m e t e r s in t h e s e f o r m u l a a r e
g a i n e d by fitting the d e s c r i p t i o n s to the H . G . K . - f u n c t i o n s in the r e g i o n
635 K <

T <

[5.27]

T h e r e m a i n i n g c o e f f i c i e n t s of the high-T d e s c r i p t i o n s are d e f i n e d by d e m a n d i n g a d o u b l e - s m o o t h c o n n e c t i o n ( E q . [5.12] ) for t h e m to the low-T f o r m u l a s at 7 = 620 K.

In all the c a s e s the d e s c r i p t i o n s had b e e n d e v e l o p e d for the r e d u c e d p r o p e r t i e s - P,
PT , C a n d G - s i n c e A Q U A c a l t u l a t e s internally with t h e s e f u n c t i o n s .
S

The density derivative of the pressure

-i

D.D

-0.5

650

55D

150

350

T IN K

Figure 25. Density derivatives of the pressure in the saturated states

Table 21. Polynomial coefficients A(1) A(12) of d?\dp in the saturated liquid
1

0.09168326854

0.1410358804

293.745773

-3694.718543

35315.9487

-224505.1913

968102.1275

-2837321.019

5560661.663

10

-6973719.089

11

5058540.246

12

-1615244.963

saturated states

39

Table 22. Polynomial coefficients C(1) - C(9) of dP/dp in the saturated vapor
1

0.001435429119

3.738553917

3.552096947

-55.88507759

217.5743793

-535.2445068

812.4224243

-670.9285889

229.0827484

T a b l e 21 a n d T a b l e 22 c o n t a i n the c o e f f i c i e n t s of the l o w t e m p e r a t u r e d e s c r i p t i o n o d the

d e n s i t y - d e r i v a t i v e s for the s a t u r a t e d liquid r e s p . for the s a t u r a t e d v a p o r
12

f r

^ '

(T) = R^'T^CJ-T*-

[5.28]

7=1

-i

Oh
63B.

648.

643.

T IN K

Figure 26. Density derivatives of the pressure in the vicinity of T

At the critical point the d e n s i t y - d e r i v a t i v e s v a n i s h a s

BP

oc p *T

with the critical e x p o n e n t y =

s c r i p t i o n s had b e e n a p p l i e d :

V)

BP

resp.

oc p

1.24 ( s. e . g . / 1 7 / ) s o the f o l l o w i n g

"gas

de-

[5.30]

7= 1
T h e first c o e f f i c i e n t s of the p o l y n o m i a l s in E q . [5.30]

aqua

near-critical

7= 1

40

[5.29]

a r e the s a m e :

W-, =

15

a n d here a r e the r e m a i n i n g o n e s :
U

Wo =

-79.73057836

W, =

369.6750971

Ua =

-430.1476885

-5110.089071

14139.7632

46121.0908

The temperature derivative of the pressure

2.0

-i

r-

-0.5

VAPOR
LIQUID

B50

550

450

350

T IN K

Figure 27. Temperature derivatives of the pressure in the saturated states

T h e t e m p e r a t u r e d e r i v a t i v e s s h o w quite a r e g u l a r b e h a v i o u r at 7 , s o o n e c a n u s e p o l y n o m i a l s a s w e l l on the c o l d s a t u r a t i o n line a s on the near critical o n e . B e l o w 620 K the
p o l y n o m i a l fittings r e s u l t e d in
C

12

10

dp
dT

[5.31]

Table 23. Polynomial coefficients A(1) A(12) of dP/dT in the saturated liquid
1

1.818884544

16.40737736

-65.85455759

52.04371914

4031.238729

-47257.0313

277423.4268

-988332.4003

2218919.758

10

-3077677.674

11

2414555.699

12

-821000.2244

saturated states

41

Table 24. Polynomial coefficients C(1) - C(10) of dP/dT in the saturated vapor
1

2.029700729

-0.1255470649

-61.54407176

544.8751175

-2848.188899

9708.977783

-21262.51929

28710.96533

-21755.27246

10

7082.224609

550

~1

~r-

-1

LIQUID

150 h
VflPQfl
6<iB.

643.

B3B.

T IN K

Figure 28. Temperature derivatives of the pressure in the vicinity of T

A b o v e 620 K the d o u b l e s m o o t h e x t e n s i o n g i v e s
4

dP
5 7 (7) = Rgas-P^Z

i'

x J

[5.32]

T h e first c o e f f i c i e n t s of the p o l y n o m i a l s in E q . [5.32]

(/, =

must be the s a m e

1.80215732

to fulfil

57,/
T h e r e m a i n i g o n e s are

42

aqua

dT
dT

dT,

c }

'

[5.34]

= 17.63135647

L/ =

-97.95806903

= 16.00172011

-439.3063303

451.8053522
3359.729201

The heat capacities

in

-i

2D.

[-

-i

_i

i_

r-

1-

in

CT
U
tc

15. h

10. h

LIQUID

5. H

_i

u.

660

560

460

360

T IN K

Figure 29. Heat capacities of the water in the saturated states.

A Q U A d e s c r i b e s the heat c a p a c i t i e s in R units. B e l o w 620 K p o l y n o m i a l s w e r e u s e d :
g

10

12

7-1

7=1

[5.35]

7=1

Table 25. Polynomial coefficients A(1) - A(12) of C in the saturated liquid

v

7.4305055

-24.93618016

195.5654567

1986.485797

-53305.43411

505697.1723

-2724774.677

9167737.673

-19622033.78

10

25984725.33

11

-19419431.35

12

6263206.554

saturated states

43

Table 26. Polynomial coefficients C(1) - C(10) of C in the saturated vapor

v

8.956404735

-33.97230774

126.5786602

-513.7462523

1521.138693

-2182.266721

-73.57828067

4483.361889

-5407.324042

10

2099.821164

in

-I

20.

iI

-i

B
EC

15.

VAPOR / H.G.K.

646.

643.

63B.

T IN K

Figure 30. Heat capacities of the water in the vicinity of T

At the c r i t i c a l point the heat c a p a c i t y a p p r o a c h e s infinty a s

Cy OC Ta

[5.37]

with the c r i t i c a l e x p o n e n t a = - 0 . 1 ( s. e . g . / 1 7 / ). C o n s e q u e n t l y a b o v e 620 K t h e f o l l o w ing n e a r - c r i t i c a l d e s c r i p t i o n s had b e e n a p p l i e d :

[5.38]

7=1

;=i

T h e d o u b l e s m o o t h c o n t i n u a t i o n at 620 K r e s u l t s in the p o l y n o m i a l - c o e f f i c i e n t s :
LA, = 4.5
=

44

5.1

aqua

15.21452007

= 42.35451412

-167.2951053

-1002.675527

1042.333618

= 6911.203183

,
.

The free enthalpy, G

T h e G i b b s function s h o w s not e v e n a t r a c e of irregularity at T . A s i n g l e p o l y n o m i a l suff i c e s t h e r e f o r e , to d e s c r i b e it in the w h o l e t e m p e r a t u r e r e g i o n :
c

G (T)

= G (T)

Rg^T^Aj-r

i-1

[5.39]

J=1

Table 27. Polynomial coefficients A(1) A(9) of the free enthalpy of the saturated states
1

-2.569516966

5.187876405

0.6408677408

1.374106295

-18.01831251

68.53337198

-176.2024879

226.296896

-130.4997179

-1

sc

r-

-i

r-

z
*

to

-250 h

-500 h

-750
350

450

550

Figure 31. Free enthalpy - G - of the water in the saturated states

saturated states

45

6.0 Calculating the densities from the pressures

IVA3 s u p p l i e s the e q u a t i o n of state with the t e m p e r a t u r e a n d t h e p r e s s u r e a s i n d e p e n d ent v a r i a b l e s , the H . G . K . - r o u t i n e s c a l c u l a t e t h e t h e r m o p h y s i c a l p r o p e r t i e s a s t e m p e r a t u r e - d e n s i t y f u n c t i o n s . S o o b v i o u s l y a p r o c e d u r e is n e e d e d to c a l c u l a t e the v a r i a b l e - p a i r
( T, p ) f r o m the v a r i a b l e - p a i r ( T, P ). A Q U A u s e s t h r e e r o u t i n e s to d o this t a s k :
D L F I N D s e e k s p{ T, P ) in t h e l i q u i d , D V F I N D in t h e v a p o r , a n d D G F I N D in t h e s u p e r c r i t ical water.

6.1 Calculating small density changes

A l l of t h e s e r o u t i n e s
DGFIND(T,P,p,IECCH)
DLFIND(T,P,p,IECCH)
DVFIND(T,P,p,IECCH)
u s e t h e s a m e s e a r c h i n g - a l g o r i t h m : b e g i n n i n g with a n initial d e n s i t y , p - s u p p l i e d by t h e
u s e r - a first p r e s s u r e , P a n d P / p a r e c a l c u l a t e d , t h e n a c o r r e c t e d d e n s i t y is d e r i v e d f r o m t h e d i f f e r e n c e , P - P - by N e w t o n ' s m e t h o d .
0

Table 28. Coefficients of P ^ x ( T ).

Pun., = Ao + A, V + A T* +
2

T >

647.126 K

0K

373.15 K

128.0317635'10

1.121372093-10

A,

-1.503427271'10

Az

6.608885188' 10

A,

-12.83080180'10

A4

...

-731.6836907'10

- 6 . 2 7 8 3 7 1 3 9 1 10

26.44577782'10

14.81761478-10-

9.305682808

-7.08407094'10

5.764846806

-33.36474460

6.597512847'10

-3.18872141210-

A,

1.19348537210-

As

-2.946300976'10"

4.575561580'10-

A,

-4.040003535 1 0 "

1.543953233 1 0 -

1 0

14

1 8

2 2

B e f o r e b e g i n n i g with t h e iteration, the r o u t i n e s c h e c k , if t h e r e is a p o s i b i l i t y at all to

find a d e n s i t y , c o r r e s p o n d i n g to t h e s u p p l i e d p r e s s u r e , P in t h e g i v e n a r e a . T o this a i m P
is c o m p a r e d with a p r e s s u r e - w i n d o w ,
r

min

"max

a n d if P d o n ' t fit into it, t h e r o u t i n e s e n d with a n e r r o r m e s s a g e ( for t h e e r r o r h a n d l i n g

s. A p p e n d i x L, " R e t u r n c o d e s " o n p a g e 151 ). T h e b o r d e r s of t h e p r e s s u r e - w i n d o w a r e
Pmin = 0

m a x

= P

L m a x

(T)

[6.1]

in t h e s u p e r c r i t i c a l w a t e r ,

densities

47

^min Q

<

Pmax

[6.2]

Psv ( T )

in t h e v a p o r , a n d
Pmin =

PSL(T)

Pmax =

Pirna.

( T)

[6.3]

in t h e liquid r e s p e c t i v e l y .
Punax in t h e a b o v e e q . s is t h e p r e s s u r e at t h e liquid e d g e of t h e v a l i d i t y - d o m a i n
P maAT)

= P(T,

1200 kg/m )

[6.4]

A Q U A c a l c u l a t e s P^nax with t h e t e m p e r a t u r e p o l y n o m i a l s g i v e n in T a b l e 28 ( routine

P L M A X ). T h e d e s c r i p t i o n is v a l i d in t h e t e m p e r a t u r e r a n g e
273.15 K <

T <

5000 K

T h e r e m a i n i n g t w o t e m p e r a t u r e - f u n c t i o n s in E q . [6.1 - 6.3], P ( T ) r e s p . P ( T ) a r e
t h e s p i n o d a l p r e s s u r e s in t h e v a p o r r e s p . in t h e l i q u i d , E q . [5.16 - 5.17]. At least a s
l o n g t h e t e m p e r a t u r e s r e m a i n b e l o w 635. K. A b o w e this point t h e s h a p e of t h e
H . G . K . - i s o t h e r m s b e g i n s to differ m a r k e d l y f r o m t h e s h a p e , o n e w o u l d e x p e c t in t h e
n e i g h b o u r h o o d of t h e c r i t i c a l point. A s w e l l t h e p r e s s u r e , a s t h e d e n s i t y - p a r t i c u l a r l y of
the l i q u i d s p i n o d a l - differ f r o m t h e d e s c r i p t i o n s g i v e n in 5.0, " D e s c r i b i n g t h e w a t e r p r o p e r t i e s in t h e s a t u r a t e d s t a t e s " o n p a g e 27 ( c o m p a r e a l s o F i g u r e 18 o n p a g e 31 ). F i g ure 32 s h o w s a m a s s i v e l y e n l a r g e d part of t h e 647 K i s o t h e r m of t h e w a t e r . O n this
i s o t h e r m t h e liquid s p i n o d a l l i e s in t h e v a p o r r e g i o n a l r e a d y .
sv

g! 3S. I

ii

ii

ri

ii

p-j '
-

'

'
r

"I

SL

DENSITY IN KG/M3

Figure 32. Water pressures on the 647 K isotherm

A Q U A u s e s a d d i t i o n a l r - p o l y n o m i a l s to d e s c r i b e t h e real p r e s s u r e m i n i m a a n d m a x i m a
P'SL, P'sv in t h e r e g i o n a b o v e 635 K :

48

aqua

g
= P (T)

P'SLO)

SL

Yj r
u

[6.5]
p'sv co = P s v C O -

with t h e c o e f f i c i e n t s
Table 29. Polynomial coefficients U(1) - U(9) of the correcting term for P'

SL

40.49363544

-1.796520658 10

1.182066587'10

15

-20.73773694 10

258.9287847'10

-33.45912597'10

15

7.607260219 10

-22.71838331'10

396.4473916'10

12

15

resp.
Table 30. Polynomial coefficients W(1) - W(6) of the correcting term for P'sv
1

17.17830396

-38.08457011'10

-3.434969255 10

1.646319316'10

( r o u t i n e s DILE r e s p . DIVE ).
In a thin r e g i o n b e f o r e t h e c r i t i c a l

448.7956073'10

-27.19071374'10

temperature,

647.0 K

<

T <

it c a n h a p p e n , that t h e liquid p r e s s u r e s of a n i s o t h e r m r e m a i n a l w a y s a b o v e t h e v a p o r
pressures
P'sv

<

P'SL

T h i s w o u l d l e a d to t h e u n a c c e p t a b l e state, that at a distinct ( n e a r c r i t i c a l ) t e m p e r a t u r e

t h e r e w o u l d b e a p r e s s u r e , f i n d i n g no c o r r e s p o n d i n g d e n s i t y e i t h e r in t h e v a p o r , o r in
the l i q u i d . T o a v o i d this u n p h i s i c a l state D L F I N D c h e c k s at near c r i t i c a l t e m p e r a t u r e s
the s p i n o d a l p r e s s u r e s a n d u s e s t h e s m a l l e r of t h e m a s P
in t h e w i n d o w [6.3].
m i n

6.2 Calculating large density changes

If t h e s u p p l i e d d e n s i t y , p differs m a s s i v e l y f r o m the final d e n s i t y , p ( T, P ), t h e n in s o m e
c a s e s t h e 19 i t e r a t i o n - s t e p s , a l l o w e d in t h e F I N D - r o u t i n e s w i l l not s u f f i c e to c a l c u l a t e t h e
final d e n s i t y . T h e u s e r c a n c i r c u m v e n t this difficulty by s u p p l y i n g in this c a s e a z e r o
initial d e n s i t y ,
0

Po = 0
to t h e F I N D - r o u t i n e s . F i n d i n g a z e r o initial d e n s i t y t h e r o u t i n e s s e a r c h - after c h e c k i n g
the p r e s s u r e , yet b e f o r e b e g i n n i n g with the iteration - for a n a d e q u a t e a p p r o x i m a t e d
d e n s i t y , w h i c h w i l l t h e n s e r v e a s a n initial d e n s i t y for t h e iteration with N e w t o n ' s m e t h o d . T o find t h i s d e n s i t y , t h e r o u t i n e s u s e a n a l g o r i t h m , s i m i l a r to t h e o n e , u s e d to c a l c u late t h e s p i n o d a l d e n s i t i e s ( p a g e 30 ).

densities

49

D V F I N D s e l e c t s t h r e e d e n s i t i e s with the c o r r e s p o n d i n g p r e s s u r e s
Pi

= 0

=o

P2 = PV

Pz = Psv

P2 = P *
^3

[6.6]

Psv

a n d c a l l s the routine D I N V A to find a d e n s i t y , c o r r e s p o n d i n g t h e s u p p l i e d p r e s s u r e , P

with the help of t h e s e p o i n t s . D I N V A s u p p l i e s t h e points to t h e routine Q U A D O , w h i c h
c o n s t r u c t s f r o m t h e m a p o l y n o m i a l of s e c o n d g r a d e a n d s o l v e s it for p ( P ). D I N V A t h e n
c a l c u l a t e s the p r e s s u r e , P ( p ) a n d c h e c k s , if t h e p is g o o d e n o u g h to b e g i n w i t h . If P (
Po ) differs to m u c h f r o m P, t h e n D I N V A u s e s S O R B E T to d i s c a r d t h e " w o r s t " of t h e four
points
0

P2

Pi

Po

P3

a n d s e e k s with the r e m a i n i g t h r e e a better p .

DLFIND uses
0

P i = PSL
P

SL
x

PL

p = 1200/cg/m

[6.7]

P3 P Lmax

a s pivotal points and c a l l s t h e routine DINLI to find the d e n s i t y , p . DINLI w o r k s t h e s a m e

way as DINVA.
D G F I N D h a s a m o r e c o m p l i c a t e d task to fulfill, a s e i t h e r D V F I N D or D L F I N D . S i n c e at
s u p e r c r i t i c a l t e m p e r a t u r e s t h e r e a r e no r e a d y - m a d e d e n s i t y - p r e s s u r e r e l a t i o n s to u s e a s the s a t u r a t i o n line or t h e s p i n o d a l s - s o m e d e n s i t y - p r e s s u r e r e l a t i o n s m u s t be c o n structed.
0

1DOD

soo

1000

500
SATURATION LINE

Figure 33. Water. Density-pressure chart

50

aqua

SPINODfiL LINE

1500
PRESSURE IN HEGAPASCAL5

T o this e n d

D G F I N D d i v i d e s the s u p e r c r i t i c a l r e g i o n in t h r e e s u b - a r e a s :
"LD" :

<

<

<

<

600

<

<

1200/cg/m

the a r e a of l o w - d e n s i t i e s ,
"MD":

kg/m

the a r e a of m o d e r a t e - d e n s i t i e s a n d
"HD":

600 kg Im

the a r e a of h i g h - d e n s i t i e s ( s. F i g u r e 33 ).
isochoral pressures :
P

(T)

2 5 0

A Q U A s u p p l i e s D G F I N D with the f o l l o w i n g

= P ( T , 250 kg Im )

-161.604255010

93.9663552710-

-619.7247350'10-

1 6

2 5 0

( T )

P o = A + Ai7 + A 7
25

370.3861090 10

-30.0780888610-

27.81950727 1 0 P

3 2 2

( n

= P(T,

115.341124210

-843.0259976 1 0 -

59.2520550810-

10

-32.24390358 1 0 "

12

-2.052518308

132.5272444 1 0 -

10

-69.98460931 10-

-183.5936079

5.819644183-10-

P = Ao + / W
m

558.651152910-

-9.423230731 10-

16

+ A -P +
2

...

713.8479434

-228.9982666 10-

841.0373279 1 0 -

2 1

2 4

Table 33. Polynomial coefficients A(1)

[6.9]

- 1 4 . 6 1 3 9 0 8 3 1 10

-48.22391500 10

Pc)

P o o ( 7 " ) = P(T,

18

Table 32. Polynomial coefficients A(1) - A(10) of Pxa ( T ).

s

[6.8]

Table 31. Polynomial coefficients A(1) - A(8) of P

6

1 2

[6.10]

400kg/m )
3

- A(10) of P400 ( T ).

P = Ao + Ai7 + Az'T* + ...

m

-534.0793594 10

1.30452006110-

-20.8095937410-

15

1.89339111310

-521.234451210-

1.839373352 1 0 -

18

24

densities

51

Peoo(T)

= P(T,

Table 34. Polynomial coefficients A(1) A(10) of Peoo ( T ).

1

- 1 9 3 . 5 1 8 2 5 3 1 10

-3.331588396

205.8600153'10-

10

-104.8772468*10-

12

= Ao + A i - 7 + A - F +
2

6 0 0

-662.0824295'10

2.09197396710-

-31.88132588 1 0 -

= P(T,

Table 35. Polynomial coefficients A(1) - A(10)

-576.9907617 10

P
3

1 5

...

3.041300733 10

-822.3881849'10-

2.784677333 1 0 -

16

24

and

[6.11]

600/cg/m )

-4.331244582

337.9386420 1 0 -

1 2

10

-197.1414663'10"

2 4

[6.12]

800kg/m )
3

of PBOO ( T ).

229.044132010

3.00866210310-

-55.07102702*10-

= Ao + ArT

15

+ Az'T* +

...

3.275463692 10

-1.272178994'10"

5.030253110-10-

16

( r o u t i n e s P250, P322, P400, P600 a n d P800 ). T h e a b o v e p o l y n o m i a l s a r e v a l i d in t h e

temperature range
647.126 K

<

T <

5000 K

If n o w , in the b e g i n n i g D G F I N D f i n d s a z e r o for the initial d e n s i t y , t h e n it w i l l c o m p a r e

t h e s u p p l i e d p r e s s u r e with t h r e e p r e s s u r e - w i n d o w s :

P
P

3 2 2

600

<

<

3 2 2

<

<

6 0 0

<

<

L m a x

[6.13]

and

[6.14]
[6.15]

to d e c i d e , in w h i c h of the t h r e e s u b - a r e a s to e x p e c t the d e n s i t y . If t h e p r e s s u r e P lies in

w i n d o w [6.13] ( s u b - a r e a " L D " ), t h e n D G F I N D s e l e c t s t h e f o l l o w i n g p i v o t a l p o i n t s
= 0

P 1

P = 0

P = P

= 250 kg/m

P3

Pc

'

Pz

2 5 0

[6.16]

P 322

( s . F i g u r e 33 ) a n d s u p p l i e s t h e m to t h e r o u t i n e D I N S U to get the initial d e n s i t y p . If P

s u f f i c e s the i n e q u a l i t y [6.14] ( s u b - a r e a " M D " ), t h e n t h e s u p p l i e d c o r n e r - p o i n t s w i l l be
0

Pi

52

aqua

Pc

'

P^=P

322

= 400 kg Im

P = P o

= 600 kg/m

P = P

4 0

4 0 0

[6.17]

a n d if P l i e s i n s i d e the w i n d o w

[6.15] ( s u b - a r e a " H D " ), t h e n D G F I N D u s e s the

= 600 kg Im

P, = P

= 800 kg Im

P = P
2

8 0 0

P =

P max

= 1200 kg Im

points

6 0 0

[6.1

to get an initial d e n s i t y , p .
D I N S U c a l c u l a t e s p the s a m e w a y a s D I N V A or DINLI.
0

densities

7.0

7.1 The codesystem

Using AQUA

AQUA

c a n be u s e d in different w a y s :
1.

the u s e r c a n c a l l the interactive p r o c e d u r e W A T E R , to get the water p r o p e r t i e s at a

g i v e n ( T,p ) r e s p . ( T , P ) point d i s p l a y e d on the s c r e e n i m e d i a t e l y ,
it is a l s o p o s s i b l e to a c q u i r e w a t e r p r o p e r t i e s for a w h o l e string of p o i n t s , e i t h e r
a l o n g a n u m b e r of i s o t h e r m s or a l o n g a set of i s o c h o r e s in a T S O - s e s s i o n by c a l l i n g
the p r o c e d u r e K A I S O T or K A I S O K ,
finally, t h e r e are a l s o t h e r o u t i n e s W A S S E R , D A M P F , R D R D P , S A E T 0 1 a n d VD1
w h i c h s u p p l y the w a t e r p r o p e r t i e s to the c o d e IVA3 a n d w h i c h c o u l d be u s e d by
other c o d e s too.

2.

3.

SERVUS : auxiliary datasets and routines

T h e p r o c e d u r e s K A I S O T a n d K A I S O K c a l c u l a t e the water p r o p e r t i e s a l o n g a string of
d e n s i t y r e s p . t e m p e r a t u r e p o i n t s . To b e a b l e to do that, they n e e d

a S E R V U S - d a t a s e t to s u p p l y a s a m p l e i s o t h e r m r e s p . a s a m p l e i s o c h o r e for t h e s e
routines a n d to r e c e i v e t h e c a l c u l a t e d p r o p e r t i e s ,
s o m e r o u t i n e s f r o m t h e c o d e S E R V U S to r e a d , i n s p e c t , h a n d l e , sort a n d s t o r e t h e
f u n c t i o n s a p p e a r i n g in t h e p r o c e d u r e s .

T h e c o d e S E R V U S ( s. /19/) r e s i d e s in the d a t a s e t
INR105.SERVUS.LOAD.
The sample functions
are either
in the d a t a s e t INR105.AQU A.DATA
or
in
INR105. AQU A T.DA TA. A Q U A h o l d s s a m p l e i s o t h e r m s with s o m e 300 d e n s i t y points in t h e
r a n g e p < 1200 kg/m*. In A Q U A T t h e r e are t e m p e r a t u r e f u n c t i o n s with 400 t e m p e r a t u r e
points b e t w e e n the m e l t i n g a n d the c r i t i c a l p o i n t s .
T h e u s e r c a n a c q u i r e t h e a b o v e d a t a s e t s by c o p y i n g a n d a d a p t i n g the p r o c e d u r e
INR105.SERVUS.CNTL(IEBGENER)
to userid.SERVUS.CNTL(IEBGENER)
(s. F i g u r e 34 ).

/ / u s e r i d a l J O B ( 0 0 0 0 , 9 9 9 , a b c d e ) , d o m b r o w s k y , M S G L E V E L = (1,1),
// N O T I F Y = u s e r i d , M S G C L A S S = H
//IEBG EXEC P G M = IEBGENER
/ / S Y S P R I N T DD S Y S O U T = *
/ / S Y S U T 1 DD U N I T = I N R , D S N A M E = INR105.AQUA.DATA,DISP = S H R
/ / S Y S U T 2 DD UNIT= i i i . D S N A M E = u s e r i d . A Q U A . D A T A , D I S P = (,CATLG),
// S P A C E = ( T R K , ( 5 0 , 1 0 ) , R L S E ) , D C B = ( R E C F M = V B S , L R E C L = 3 2 7 6 0 . B L K S I Z E = 19069)
//SYSIN DD D U M M Y

//
Figure 34. The procedure userid.SERVUS.CNTL(IEBGENER).
T h e " s t r i n g " - r o u t i n e s K A I S O T a n d K A I S O K n e e d , b e s i d e s of the S E R V U S r o u t i n e s a l s o
the A Q U A - r o u t i n e s S I G N A T , N A P S Z M a n d M U S T E R .

M U S T E R h e l p s in s e l e c t i n g the s a m p l e - f u n c t i o n in the S E R V U S d a t a s e t ,

S I G N A T s e t s the c h r a c t e r i s t i c n u m b e r s a n d w o r d s - n e e d e d in r e g i s t e r i n g the f u n c tion in the d a t a s e t - for the p r o p e r t i e s c a l c u l a t e d a n d

N U M B E R returns the n u m b e r of d a y in the y e a r .

Using AQUA

55

7.2

WATER

W A T E R calculates the water properties either a s pressure-temperature or a s densityt e m p e r a t u r e f u n c t i o n s . In t h e s t a b l e a n d m e t a s t a b l e s t a t e s W A T E R r e t u r n s p r o p e r t y - v a l u e s , c o r r e s p o n d i n g to t h e o n e s , c a l c u l a t e d by t h e H . G . K . - c o d e . In t h e r e g i o n of i n s t a b i l ity W A T E R c a l c u l a t e s m i x e d state p r o p e r t i e s , a s d e s c r i b e d in 4.0, " T h e r m a l p r o p e r t i e s in
the t w o p h a s e r e g i o n . "
W A T E R n e e d s t h e " F I N D " - r o u t i n e s for t h e ( T , P ) =*> ( T, p ) c o n v e r s i o n a n d H Y D O R to
c a l c u l a t e t h e w a t e r p r o p e r t i e s in t h e ( p,T ) - d e p e n d e n c e ( s . A p p e n d i x D, " M o d u l e
t r e e s " o n p a g e 77 ).
W A T E R r e s i d e s in t h e d a t a s e t ' I N R 1 0 5 . K A T H E R . L O A D ' a n d c a n b e a c t i v a t e d by t y p i n g
simply "WATER".
T h e f o l l o w i n g f r o z e n s c r e e n s e x e m p l i f y a t y p i c a l c o n v e r s a t i o n with W A T E R :

TSO COMMAND PROCESSOR

ISPFCOMMAND ===>
ENTER TSO COMMAND, CLIST, OR REXX EXEC BELOW:
===> WATER

+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+

W
W
A
TTTTTTT
W
W
AAA TTTTTTT
W
W AA AA
T
W W W AA AA
T
W WWW W A
A
T
WWW WWW A AAA A
T
WW WW A AAA A
T
W
W A
A
T

EEEEEEE RRRRRR
EEEEEEE RRRRRRR
E
R
R
E EEE
R RRRRR
E EEE
R RRRR
E
R RR
EEEEEEE R RR
EEEEEEE R RR

STATUS : 9 4 / 1 2 / 0 9

WATER CALCULATES THERMAL PROPERTIES OF THE WATER

IN THE LIQUID, VAPOR AND GASEOUS STATES
EITHER AS FUNCTIONS OF TEMPERATURE AND DENSITY
OR AS FUNCTIONS OF TEMPERATURE AND PRESSURE.
THE PROPERTIES CALCULATED ARE THE FOLLOWING ONES:
T = TEMPERATURE
P = PRESSURE
RHO = DENSITY
CV / CP = ISOBARIC / ISOCHORIC HEAT CAPACITIES
S = ENTROPY
G = GIBBS FUNCTION
U = ENERGY
H = ENTHALPY
V E L . S = SONIC VELOCITY
SIGMA = SURFACE TENSION
ETA = VISCOSITY
LAMBDA = THERMAL CONDUCTIVITY
PR.NR = PRANDTL NUMBER
VAP.QU = M.VAP/M.TOT
FOR MORE INFORMATION

=> K. THURNAY, T : 2477

+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

56

aqua

ENTER TEMPERATURE ( IN K ) /
00011 ?
373.15

373.150 / =

( STOP WTIH T = 0 )

DO YOU WANT THE PROPERTIES AS

1 = TEMPERATURE-DENSITY FUNCTIONS
2 = TEMPERATURE-PRESSURE FUNCTIONS
00014 ?
2

ENTER PRESSURE ( IN MPASCAL ) /

00019 ?
6.1613256

0.1013250

( STOP WITH 0 )

/ =:

( STOP WTIH P = 0 )

LIQUID ( 1 ) OR VAPOR ( 2 ) STATE ? ( 0 = STOP ) =:

00028 ?
1

T =
373.150
K
DP/DRHO = 2125.38
KJ/KG
CV = 3.77087
KJ/(KG*K)
U =
418.958
KJ/KG
DU/DRHO = -0.620588
KJ*M**3/KG**2
ETA = O.282103E-03
KG/M/SEC
PR.NR = 1.75150

RHO = 958.3926
KG/M**3
DP/DT = 1.52786
MPASCAL/K
CP = 4.21707
KJ/(KG*K)
H =
419.064
KJ/KG
DH/DP = 0.751373E-O3
M**3/KG
LAMBDA = 0.679215
W/M/K
VAP.QU = 0.352389E-07

RH.V = 0.5975324
KG/M**3
RH. L = 958.4467
KG/M**3

RH.SV = 12.67164
KG/M**3
RH.SL = 823.0227
KG/M**3

P=
0.1013458
MPASCAL
DRHO/DT = -0.718864
KG/(K*M**3
S =
1.30688
KJ/(KG*K)
G = -68.5997
KJ/KG
VEL.S = 1541.71
M/SEC
SIGMA = 0.589152E-01
KG/SEC**2
PS = 0.1013127
MPASCAL
P.SV = 1.21103
MPASCAL
P.SL = -149.037
MPASCAL

Using AQUA

ENTER PRESSURE ( IN
00019 ?

DO YOU
1
2
00014

MPASCAL ) /

0.1013250

WANT THE PROPERTIES AS

= TEMPERATURE-DENSITY FUNCTIONS
= TEMPERATURE-PRESSURE FUNCTIONS
?

/ =:

( STOP WTIH P = 0 )

( STOP WITH 0 )

ENTER TEMPERATURE ( IN K ) /
00011 ?
e

7.3

373.150 / =:

( STOP WTIH T = 0 )

String-routines

T h e r o u t i n e s K A I S O T a n d K A I S O K are p l a c e d in the d a t a s e t ' I N R 1 0 5 . A Q U A . L O A D '

KAISOT
K A I S O T c a l c u l a t e s the w a t e r p r o p e r t i e s a s d e n s i t y - t e m p e r a t u r e f u n c t i o n s a l o n g
herms.
K A I S O T n e e d s ( s. A p p e n d i x D, " M o d u l e t r e e s " o n p a g e 77 ) :

H Y D O R for the c a l c u l a t i o n of the ( p,J ) - p r o p e r t i e s ,

the A Q U A - r o u t i n e s S I G N A T , N A P S Z M , M U S T E R
the S E R V U S - r o u t i n e s S E R D I O , S D E X G 8 , F E N S T 8 , S D I N G 8
the d a t a s e t userid.AQUA.DATA
and
the p r o c e d u r e userid.AQUA.CLIST(KAISOT) ( s. F i g u r e 35 ).

A L L O C D A ( ' u s e r i d . A Q U A . D A T A ' ) F(FT15F001) S H R R E U

A L L O C D A ( ' u s e r i d . A Q U A . D A T A ' ) F(FT16F001) S H R R E U
C A L L 'INR105.AQUA.LOAD(KAISOT)'
FREE DA('userid.AQUA.DATA')
FREE DA('userid.AQUA.DATA')
Figure 35. The procedure userid.AQUA.CLIST(KAISOT)
A s a m p l e c o n v e r s a t i o n with K A I S O T is s o m e t h i n g , like this

58

aqua

isot-

__

READY
ex aqua(kaisot)

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

+
+

PROGRAM KAISOT

STATUS : 94/11/30

+
+
+

+
+
+

CALCULATES THERMAL PROPERTIES OF THE WATER ALONG AN ISOTHERM

AS FUNCTIONS OF THE DENSITY
USING A SAMPLE (RH.FRH)-FUNCTION AS A DENSITY-PATTERN

+
+
+

+
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

+
+

12.12.94

LIST OF THE GRAPHS OF THE DATASET

AQUA

.DATA

STORAGE-NORM IS

"GRAPHIC8"

+
+
+
+

+
+

DATE OF THE ALLOCATION:

THE DATASET CONTAINS

2 3 . 5.91

LAST SCRATCH:

275 GRAPHS

2 7 . 9.94

TIME: 16H 5 7 ' 11"

+
+
+
+

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++^
+

12.12.94

THE GRAPHS WILL BE COPIED INTO THE DATASET

AQUA

.DATA

STORAGE-NORM IS

"GRAPHIC8"

DATE OF THE ALLOCATION:

2 3 . 5.91

LAST SCRATCH:

2 7 . 9.94

+
+

THE DATASET CONTAINS

275 GRAPHS

TIME: 16H 5 7 ' 11"

+
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

+
+

ENTER TEMPERATURE OF THE ISOTHERM =: ( 0 = END )

00016 ?
373.15

Using AQUA

59

TABLE OF THE PROPERTY-NUMBERS : ( END = 0 )

| 1
2
3
4
5
6
01
10 I
20 j
30 1
40 j
ENTER
00012

P*
RH
PIR
V.S
A
NUMBER
?

p*DP/DT DT/DP
T*
RH"
RH.SP
P
RIP
R1T
PIT
SIG
ETA LAMBDA
S
G
U
H
OF THE PROPERTY /
0 / =:

P.SP
CV
PRN
U1R

V
CP
HIP

ENTER SERIAL NUMBER OF THE (T,FT) MASTER FUNCTION =: ( 0 = END )

00008 ?
22

#
22
GRAPH(1015/ 5000) X : +DENSITY +KG/M**3 + F : +
P.T+PASCAL +
Xl= 0.5550E-03,X(293)= 1190.
, O.OOO0E+00 < X < 1200.
, U=0.10E+03
Fl= 128.1
,F(293)= 0.1283E+10 , -0.610OE+O8 < F < 0.1300E+10 , U=0.10E+09
FUNCTION OK =: ( 0 = YES | 9 = NO )
00012 ?

ENTER BEGIN, END & INCREMENTUM ( 0 = END ) /

00016 ?
1 380 1

1 ,1000 ,

1/ = : , = : ,

=:

FUNCTION TO BE SAVED ? ( 0 = NO ) =:
00024 ?
3

===> 173 GRAPH( 2 6 / 3731) X : +DENSITY +KG/M**3 + F : +

Xl= 0.555OE-03,X(293)= 1190.
, 0.00OOE+0O < X < 1200.
Fl= 1428.
,F(293)= 3412.
,
1400.
< F < 7000.

aqua

CV.ITH+J/KG/K +
, U=0.1OE+03
,U=0.10E+04

TABLE OF THE PROPERTY-NUMBERS : ( END = 0 )

6
3
4
5
1
2
1

P*
0 1
RH
10 j
20 j PIR
30 j V . S
A
40 j
ENTER NUMBER
00012

p*DP/DT DT/DP
T*
P
RH"
RH.SP
RIP
RIT
PIT
SIG
ETA LAMBDA
U
H
S
G
OF THE PROPERTY /
O /=:

P.SP
CV
PRN
U1R

V
CP

HIP

ENTER TEMPERATURE OF THE ISOTHERM =: ( 0 = END )

00016 ?

KAISOK
K A I S O K c a l c u l a t e s the w a t e r p r o p e r t i e s
chores.
K A I S O K u s e s , s i m i l a r l y to K A I S O T :

as density-temperature functions along

iso-

H Y D O R for the c a l c u l a t i o n of the ( p,T )-properties,

the A Q U A - r o u t i n e s S I G N A T , N A P S Z M , M U S T E R
the S E R V U S - r o u t i n e s S E R D I O , S D E X G 8 , F E N S T 8 , S D I N G 8
the d a t a s e t userid.AQUAT.DATA
and
the p r o c e d u r e userid.AQUA.CLIST(KAISOK) ( s. F i g u r e 35 ).

A L L O C D A ( ' u s e r i d . A Q U A T . D A T A ' ) F(FT15F001) S H R R E U

A L L O C D A ( ' u s e r i d . A Q U A T . D A T A ' ) F(FT16F001) S H R R E U
C A L L 'INR105.AQUA.LOAD(KAISOK)'
FREE DA('userid.AQUAT.DATA')
FREE DA('userid.AQUAT.DATA')
Figure 36. The procedure userid.AQUA.CLIST(KAISOK)
A d i a l o g u e with K A I S O K runs in the s a m e w a y , a s o n e with K A I S O T .

READY
ex aqua(kaisok)

etc.

Using AQUA

61

7.4

IVA-routines

A set of the f o l l o w i n g r o u t i n e s - c o m p l e t e d with all t h e o t h e r A Q U A - r o u t i n e s n e e d e d by

t h e m - a r e d e p o s i t e d in t h e d a t a s e t
INR105.IVHZO.FORT.

WASSER
W A S S E R c a l c u l a t e s t h e r m o p h y s i c a l p r o p e r t i e s of t h e liquid w a t e r a s f u n c t i o n s ot t h e
t e m p e r a t u r e a n d p r e s s u r e for the c o d e s y s t e m IVA3. W A S S E R c a l c u l a t e s o n l y in the s t a ble a n d m e t a s t a b l e s t a t e s of the l i q u i d , s o the s u p p l i e d P m u s t be h i g h e r a s t h e s p i n o d a l - p r e s s u r e of the l i q u i d . In c a l l i n g W A S S E R

CALL WASSER(T,P
,RW,HW,SW,CPW,VSW,ETW,XLMBW,PRNW,HW1P,RW1T,RW1P,SRFTS
,LCATAW)

1.
2.

T, t h e t e m p e r a t u r e a n d
P, t h e p r e s s u r e
should be s u p p l i e d . W A S S E R then returns
3.
R W , the density,
4.
HW, the specific enthalpy,
5.
S W , the specific entropy,
6.
C P W , t h e heat c a p a c i t y at c o n s t a n t p r e s s u r e ,
7.
V S W , t h e v e l o c i t y of s o u n d ,
8.
ETW, the viscosity,
9.
X L M B W , the t h e r m a l c o n d u c t i v i t y ,
10. P R N D , t h e P r a n d t l n u m b e r of the w a t e r ,
11. H W 1 P , t h e p r e s s u r e d e r i v a t i v e of the e n t h a l p y , BH/dP,
12. R W 1 T , the t e m p e r a t u r e d e r i v a t i v e of the d e n s i t y , dp/dT,
13. R W 1 P , t h e p r e s s u r e d e r i v a t i v e of the d e n s i t y , dp/dP a n d
14. S R F T S , the s u r f a c e t e n s i o n .
A l l of the a b o v e p r o p e r t i e s are in S l - u n i t s .
L C A T A W , a l o g i c a l v a r i a b l e w i l l be set .true, if W A S S E R
RF(P,T).

fails to find t h e

density

DAMPF
D A M P F c a l c u l a t e s t h e r m o p h y s i c a l p r o p e r t i e s of t h e v a p o r i z e d w a t e r a s f u n c t i o n s ot t h e
t e m p e r a t u r e a n d p r e s s u r e for the c o d e s y s t e m IVA3. D A M P F c a l c u l a t e s o n l y in t h e s t a b l e
and m e t a s t a b l e v a p o r s t a t e s , s o the s u p p l i e d P m u s t b e l o w e r a s the s p i n o d a l - p r e s s u r e
of the v a p o r . D A M P F

CALL DAMPF(T,P
,RGAS,WGM,RD,HD,SD,CPD,VSD,ETD,XLMBD,PRND,HD1P,RD1T,RD1P
,LCATAD)

n e e d s initial v a l u e s for

62

aqua

1.
2.

T, the t e m p e r a t u r e and
P, the p r e s s u r e
and it returns t h e f o l l o w i n g p r o p e r t i e s :
3.
R G A S , the g a s - l a w c o n s t a n t of the water,
4.
W G M , the molal mass,
5.
RD, the density,
6.
HD, t h e s p e c i f i c e n t h a l p y ,
7.
S D , the s p e c i f i c entropy,
8.
C P D , t h e heat c a p a c i t y at constant p r e s s u r e ,
9.
V S D , the v e l o c i t y of s o u n d ,
10. ETD, the v i s c o s i t y ,
11. X L M B D , the t h e r m a l c o n d u c t i v i t y ,
12. P R N D , the P r a n d t l n u m b e r of the s t e a m
13. H D 1 P , t h e p r e s s u r e d e r i v a t i v e of the e n t h a l p y , dH/dP,
14. R D 1 T , t h e t e m p e r a t u r e d e r i v a t i v e of the d e n s i t y , dp/dT
15. R D 1 P , t h e p r e s s u r e d e r i v a t i v e of the d e n s i t y , dp\dP.

and

All of the a b o v e p r o p e r t i e s - a s in the c a s e of W A S S E R - a r e in S l - u n i t s .

L C A T A D will b e a g a i n set .true, if D A M P F fails to find t h e d e n s i t y RD(P,T).

RDRDP
R D R D P is an a b r i d g e d v e r s i o n of D A M P F , o n l y to find t h e d e n s i t y c o r r e s p o n d i n g to the
p r e s s u r e P a n d t h e t e m p e r a t u r e T in the v a p o r state for the c o d e IVA3.

CALL RDRDP(T,P, RD.RD1P, LCATAD)

For a g i v e n T a n d P R D R D P returns R D , the d e n s i t y a n d R D 1 P , t h e p r e s s u r e d e r i v a tive of the d e n s i t y ( dpjdP ) of the s t e a m .

SAET01

CALL SAET01(T,P
,VW,VD,HW,HD,HWD,SW,SD,TS1P,CPW,CPD,ETW,ETD,XLMBW,XLMBD,SRFTS
,KIND,LCATAS)

S A E T 0 1 c a l c u l a t e s s a t u r a t i o n p r o p e r t i e s of the w a t e r for IVA3 a s f u n c t i o n of the p r e s s u r e

P ( if KIND is 1 ) or the t e m p e r a t u r e T ( if KIND e q u a l s 0 ).
S A E T 0 1 r e t u r n s - b e s i d e s of T or P - the f o l l o w i n g t h e r m o p h y s i c a l p r o p e r t i e s :

V W a n d V D a r e t h e s p e c i f i c v o l u m e of the liquid r e s p . of t h e v a p o r ,
HW a n d HD a r e the c o r r e s p o n d i n g s p e c i f i c e n t h a l p i e s ,
S W a n d S D a r e the s p e c i f i c e n t r o p i e s in the liquid a n d v a p o r s t a t e s ,
C P W a n d C P D are t h e c o r r e s p o n d i n g heat c a p a c i t i e s at c o n s t a n t p r e s s u r e ,
ETW a n d ETD a r e the v i s c o s i t i e s of the liquid r e s p . of the v a p o r ,
X L M B W and X L M B D are the corresponding thermal conductivities,
S R F T S is the s u r f a c e t e n s i o n ( of the liquid ),
HWD = H D - H W a n d

Using AQUA

63

TS1P = 1

jdP/dT

A l l the p r o p e r t i e s are a g a i n in S l - u n i t s .
L C A T A S will be set .true, if S A E T 0 1 fails to find s a t u r a t e d p r o p e r t i e s ( i.
s u p e r c r i t i c a l ).
Note:

e. if T S is

T h e r e e x i s t s a l s o an e x t e n d e d v e r s i o n of the a b o v e routine, S A E T E X , c r e a t e d a s a
t e s t i n g facility for the r o u t i n e S A E T 0 1 . B e s i d e s of t h e p r o p e r t i e s listed a b o v e , S A E T E X c a l c u l a t e s a l s o the p r e s s u r e d e r i v a t i v e s dP*/dT, dP/dT a n d dP/dp, t h e c o n stant v o l u m e heat c a p a c i t i e s C a n d t h e s o n i c v e l o c i t i e s .
Y

VD1
VD1 c a l c u l a t e s a p p r o x i m a t e d s p e c i f i c v o l u m e s for the s a t u r a t e d v a p o r , V D in kglm -s
t h e t e m p e r a t u r e T for the c o d e I V A 3 .
3

at

CALL VD1(T, VD, DUMMY)

For a c o m p l e t e list of a v a i l a b l e w a t e r property p r o c e d u r e s s e e A p p e n d i x M ,

" T S O - p r o c e d u r e s , c a l c u l a t i n g t h e r m a l p r o p e r t i e s of the w a t e r " o n p a g e 153.

64

aqua

8.0
IM

121

/3/
IAI

/5/

/6/

Ill

18/

19/

/10/

/11/

/12/

/13/

/14/

/15/

References

V. V. S y c h e v , C h a r a c t e r of the C h a n g e of T h e r m o d y n a m i c Q u a n t i t i e s on B o u n d a r y
Curves
H i g h T e m p e r a t u r e , V o l . 5, N o . 6, p. 1022, 1967.
K h I. A m i r k h a n o v , B. G . A l i b e k o v , B. A . M u r s a l o v , a n d G . V . S t e p a n o v , C a l c u l a t i o n
of the D e r i v a t i v e s of T h e r m a l a n d C a l o r i c Q u a n t i t i e s on a S a t u r a t i o n L i n e
High T e m p e r a t u r e , V o l . 10, N o . 3, p. 475, 1972.
V. P. S k r i p o v , M e t a t s t a b l e L i q u i d s , E n g l i s h t r a n s l a t i o n
J o h n W i l e y a n d s o n s , N e w Y o r k , 1974.
J . V . S e n g e r s , T h e r m a l C o n d u c t i v i t y of S t e a m in the C r i t i c a l R e g i o n , P. 822 in
P r o c e e d i n d g s of the S e v e n t h S y m p o s i u m o n T h e r m o p h y s i c a l P r o p e r t i e s , A S M E ,
1977.
K.Thurnay,
T h e r m o p h y s i c a l P r o p e r t i e s of S o d i u m in the L i q u i d a n d G a s e o u s
StstGS
K F K 2863, F e b r u a r 1981.
L. A . W e b e r , M e a s u r e m e n t s of the heat c a p a c i t i e s C of d e n s e g a s e o u s a n d liquid
n i t r o g e n a n d nitrogen t r i f l u o r i d e .
J . C h e m . T h e r m o d y n a m i c s , V o l . 13, p. 389-403, 1981.
A . M . S i r o t a , V. I. L a t u n i n , N. E. N i k o l a e v a , A n E x p e r i m e n t a l Investigation of the
T h e r m a l C o n d u c t i v i t y M a x i m a of W a t e r in the C r i t i c a l R e g i o n
T h e r m a l E n g i n e e r i n g V o l . 28, N o . 4, p. 246, 1981.
K . T h u r n a y , E v a l u a t i o n of T h e r m o p h y s i c a l P r o p e r t i e s of S o d i u m a s S u r f a c e s of the
T e m p e r a t u r e and the D e n s i t y ,
N u c l . S e i . E n g . , 82. p. 181, 1982.
C . A . M e y e r , R. B. M c C l i n t o c k , G . J . S i l v e s t r i , R. C . S p e n c e r , J r . , A S M E s t e a m t a b l e s : t h e r m o d y n a m i c a n d t r a n s p o r t p r o p e r t i e s of s t e a m c o m p r i s i n g t a b l e s and
c h a r t s for s t e a m a n d water, 5. e d .
A m e r i c a n S o c . of M e c h a n i c a l E n g i n e e r s , N e w Y o r k , 1983.
L. Haar, J . S . G a l l a g h e r , G . S . K e l l , N B S / N R C s t e a m t a b l e s : t h e r m o d y n a m i c and
t r a n s p o r t p r o p e r t i e s a n d c o m p u t e r p r o g r a m s for v a p o r and liquid s t a t e s of water in
SI units
H e m i s p h e r e P u b l . C o . , W a s h i n g t o n , 1984.
J . V. S e n g e r s a n d B. K a m g a r P a r s i , R e p r e s e n t a t i v e E q u a t i o n s for the V i s c o s i t y of
Water Substance
J . P h y s . C h e m . Ref. D a t a , V o l . 13, N o . 1, p. 185, 1984.
H. J . W h i t e , J r . , A c t i v i t i e s of the International A s s o c i a t i o n for the P r o p e r t i e s of
S t e a m B e t w e e n 1979 a n d 1984, pp. 31 - 34 in
V. V. S y t c h e v ( e d . ) T h e p r o p e r t i e s of s t e a m
P r o c . of the 10th internat. conf., M o s c o w , U S S R , 3 - 7 S e p t . 1984.
M o s c o w : M i r P u b l i s h e r s , L o n d o n : P l e n u m P r e s s , 1984.
L. H a a r a n d J . S . G a l l a g h e r , T h e r m o d y n a m i c V a l u e s N e a r t h e C r i t i c a l Point of W a ter, pp. 167 - 179 in
V. V. S y t c h e v ( e d . ) T h e p r o p e r t i e s of s t e a m
P r o c . of the 10th internat. conf., M o s c o w , U S S R , 3 - 7 S e p t . 1984.
M o s c o w : M i r P u b l i s h e r s , L o n d o n : P l e n u m P r e s s , 1984.
W. W a g n e r and A . S a u l , C o r r e l a t i o n E q u a t i o n s for the V a p o r P r e s s u r e a n d for the
O r t h o b a r i c D e n s i t i e s of W a t e r S u b s t a n c e , pp. 199 - 209 in
V. V. S y t c h e v ( e d . ) T h e p r o p e r t i e s of s t e a m
P r o c . of the 10th internat. conf., M o s c o w , U S S R , 3 - 7 S e p t . 1984.
M o s c o w : M i r P u b l i s h e r s , L o n d o n : P l e n u m P r e s s , 1984.
V. P. S k r i p o v , P h a s e - C h a n g e B e h a v i o u r of W a t e r in N o n e q u i l i b r i u m P r o c e s s e s , pp.
227 - 251 in
V. V. S y t c h e v ( e d . ) T h e p r o p e r t i e s of s t e a m
P r o c . of the 10th internat. conf., M o s c o w , U S S R , 3 - 7 S e p t . 1984.
M o s c o w : M i r P u b l i s h e r s , L o n d o n : P l e n u m P r e s s , 1984.
Y

References

65

/16/

/17/

/18/
/19/

/20/

/21/

/22/
/23/

66

J . V. S e n g e r s , T r a n s p o r t P r o p e r t i e s of F l u i d s N e a r C r i t i c a l P o i n t s , pp. 363 - 389 in

V . V. S y t c h e v ( e d . ) T h e p r o p e r t i e s of s t e a m
P r o c . of the 10th internat. conf., M o s c o w , U S S R , 3 - 7 S e p t . 1984.
M o s c o w : M i r P u b l i s h e r s , L o n d o n : P l e n u m P r e s s , 1984.
V. V. S y c h e v , V. A . R a b i n o v i c h , a n d Y u . E. S h e l u d y a k , U s i n g Differential T h e r m o d y n a m i c E q u a t i o n s at the C r i t i c a l Point of P u r e M a t e r i a l s
H i g h T e m p e r a t u r e , V o l . 22, N o . 6, p. 829, 1985.
P. W. A t k i n s , P h y s i c a l c h e m i s t r y , 3. e d .
Oxford U n i v e r s i t y P r e s s , 1986.
K. T h u r n a y , S E R V U S . Ein S y s t e m v o n D a t e i e n und P r o z e d u r e n z u r S p e i c h e r u n g
und Prsentation von R e c h e n e r g e b n i s s e n , die Funktionen ( einer Variablen ) sind.
V e r s i o n V , A p r i l 1989.
Kfk 4587, J u l i 1989.
K. T h u r n a y , S O D I U M . A C o d e for C a l c u l a t i n g T h e r m o p h y s i c a l P r o p e r t i e s of the S o d i u m in the L i q u i d a n d G a s e o u s S t a t e s .
K f K 4609, S e p t e m b e r 1989.
N. I. K o l e v , IVA3 : C o m p u t e r C o d e F o r M o d e l i n g of T r a n s i e n t T h r e e D i m e n s i o n a l
T h r e e P h a s e F l o w in C o m p l i c a t e d G e o m e t r y
Kfk 4950, D e z e m b e r 1991.
V. P. S k r i p o v , M e t a s t a b l e S t a t e s
J . N o n - E q u i l i b . T h e r m o d y n . , V o l . 17, N o . 3, p. 193 - 206, 1992.
C . A . M e y e r , R. B. M c C l i n t o c k , G . J . S i l v e s t r i , R. C . S p e n c e r , J r . , A S M E S t e a m T a b l e s : T h e r m o d y n a m i c a n d T r a n s p o r t P r o p e r t i e s of S t e a m C o m p r i s i n g T a b l e s a n d
C h a r t s F o r S t e a m a n d W a t e r , 6. e d .
N e w Y o r k , N Y : A m e r i c a n S o c . of M e c h a n i c a l E n g i n e e r s , 1993.

aqua

Appendix A. Some thermal relations

A.1

The derivatives of the free energy

In d e v e l o p i n g the t h e r m a l p r o p e r t i e s of a s u b s t a n c e a s f u n c t i o n s of the temperature

and density the a p p r o p r i a t e e n e r g y p r o p e r t y to b e g i n with is the f r e e e n e r g y :
A = U -

S'T

[A.1]

a l s o k n o w n a s H e l m h o l t z - f u n c t i o n or total w o r k .
S i n c e it h o l d s ( s. e. g. / 1 8 / )
dU =

T'dS

P-dV

[A.2]

o n e has for A the f o l l o w i n g ( p j ) - d i f f e r e n t i a l :

dA(p,T)

= dU -

S dT -

TdS

- S dT +

dp

[A.3]

P
The

A.2

differential [A.3]

g i v e s f o l l o w i n g r e l a t i o n s for e n t r o p y a n d p r e s s u r e :
S(p,T)

- j f j r

[A.4]

P(p,T)

j ^ p

[A.5]

The enthalpy and its derivatives

For the e n t h a l p y o n e c a n a l s o a p p l y a (dp,dT) - e x p r e s s i o n :

dH(p,T)=

T h e T - d e r i v a t i v e in the E q . [A.6]

MLdT

+ ^

[A.6]

c a n be c a l c u l e t e d f r o m the e q u a t i o n
H = U + -

[A.7]

as
d

Irl

r
=

Cv

j .

T Tr

TA Rl
[ A 8 ]

a n d the p - d e r i v a t i v e f r o m the e q u a t i o n
H = A +
t r a n s f o r m e d with the r e l a t i o n s

[A.4]

and

Y
[A.5]

+ S'T

[A.9]

p r o p e r l y . T h e r e s u l t is

relations

67

dH
dp

(
[ d p
d

dP
dT

[A.10]

S e t t i n g the p r e s s u r e - d i f f e r e n t i a l
dP(p,T)

dP
- d f

dP
T p -

,
d

to z e r o g i v e s the important relation

dP\dT

dp

dP/dp

dT

[A.11]

U s i n g this relation and the r e d u c e d t e m p e r a t u r e - d e r i v a t i v e of the d e n s i t y

0

PT

a l l o w s to d e s c r i b e the d e n s i t y d e r i v a t i v e [ A . 1 0 ]
dH i
dp \T

dp

[A. 12]

dT

in a m o r e s i m p l e f o r m

LA. 13]

'

T o d e v e l o p the d e r i v a t i v e s of t h e (P,T)-description t h e differential [A.6]

t r a n s f o r m e d a c c o r d i n g l y . U s i n g a (P,T)-differential for the d e n s i t y r e s u l t s in
,
d

dH

u
H

Tr

.f.
d

dH

f dp

-dp-{-dT

is to

be

dp
d

I F

[ A . 14]
dH
dT

+ M. T

dp \
dT

dp

_dH
"
dp \T

dT +

E q . [ A . 1 4 ] c o m b i n e d with E q s . [ A . 8 ] , [ A . 1 1 ] a n d
s c r i p t i o n s for t h e (P.T)-derivatives of t h e e n t h a l p y :
dH- I
= c (PT)
dT \P ~
C

[ A . 1 3 ] r e s u l t s in the f o l l o w i n g d e -

+ ML

dT p

i L dP
dP

dp

dp_
dT \p

[ A . 15]

r
=

^-^

-dpjdp-(T-W)

respectively
dH
dP \T

dp

dp

\T ~

>

[A.16]

T h i s last d e r i v a t i v e is a l s o k n o w n a s t h e ' i s o t h e r m a l f a c t o r '

dH i
dP \T

68

aqua

V -

T'

dv
dT

[ A . 17]

A.3

The sonic velocity

is d e f i n e d a s

To d e v e l o p the d e r i v a t i v e in the e q u a t i o n a b o v e o n e n e e d s t h e f o l l o w i n g differential

E q . [A.19]

( f

c a n be t r a n s f o r m e d

"

to

S e t t i n g d S = 0 in the a b o v e e q u a t i o n a n d u s i n g E q . [ A . 1 1 ]
dS

gives

dS/dT

dp

BP
dp | s

dp/dT

dS/dT

gp

dS/dp

dT

BS/dT

dp

[A.21]

dP/dT
Differentiating the e q u a t i o n s E q . [A.1]
ivatives
dS
dT

respectively Eq. [A.4]

v
T

BS
dp

1
p

S e t t i n g the a b o v e d e r i v a t i v e s into the E q . [ A . 2 1 ]

E q . [A.15] e n d s in
dP ,
dp |

dP
s

dp

4 . _TL ((
+

qT

result in the e n t r o p y - d e r -

dP
dT

a n d c o m p a r i n g the r e s u l t with the

dP/dT

dP_

Cp_

dp

0 r l

[A2Z]

'

R e l a t e d to the s o n i c v e l o c i t y are t h e a d i a b a t i c r e s p . t h e i s o t h e r m a l c o m p r e s s i b i l i t i e s :
1
p'dP/dp

J , , ,

p'dP/dp

[A.24]

P'Vs

- T A - K S

[A.25]

relations

69

A.4 The Joule Thomson coefficient

T h i s p r o p e r t y is d e f i n e d a s
Joule T h o m s o n coefficient

dT
8P

[A.26]

U s i n g t h e restraint

a n d t h e result of E q . [ A . 1 6 ]

dT
dP \n

70

aqua

one has
dH
dP
dH
dT

8H
dP

1 + PT
p'Cp

[A.27]

Appendix B. Derivatives of some saturated properties

B.1 Derivatives of the vapor pressure
S i n c e the d e r i v a t i v e of w in the E q . [5.2]

c a n be e x p r e s s e d a s
-0.5

dw
dT

0.5
w T

[6.1]

it h o l d s for t h e first T - d e r i v a t i v e of the v a p o r p r e s s u r e

T
-f>r

Qi =

dP
dT

dlnP
dT

[B.2]

T h e d e r i v a t i v e of Q is
1

dQ,

Q> = T

dT
[6.3]

= 2>

7-1

7,-7

O n the o t h e r hand o n e c a n d e v e l o p a p r e s s u r e relation for C ? :

2

Qo s

7
p*

dP
d7

7
>*

d7

jf_
p*

T
-^r
2

d P
*
2

7
>

d T

d P

dP
c/7
-.2

dP
d7

[6.4]

+ O i ( 1 - Q i )

T r a n s f o r m i n g E q . [B.2]
and [ B . 4 ]
r e s u l t in the f o l l o w i n g e q u a t i o n s for the t e m p e r ature d e r i v a t i v e s of the v a p o r p r e s s u r e :
dPl
d7

dP
2

d7

Q^

[6.5]

and

[6.6]

derivatives

71

T o e a s e the d e s c r i p t i o n s of the Q-s the c o e f f i c i e n t s

Bj =

and

Aj

Cj =

7+1

w i l l be i n t r o d u c e d , r e s u l t i n g in t h e Q - e q u a t i o n s

j-t*r'- -t r"'-'

y= i

y=i

and

o -

+ ",."-' i r r E
+

;=i

y=i

B.2 Derivatives of the saturated

'

v _ 1

i=i

densities

For
the cold water

o n e c a n d e v e l o p f r o m E q . [5.9]

with E q . [ B . 1 ]

the derivative

12

dp

0.5'p

f =

f^^C-DV

y=2

C o r r e s p o n d i n g l y the s e c o n d d e r i v a t i v e is h e r e

T o d e v e l o p the d e n s i t y d e r i v a t i v e s for
the cold steam is a bit m o r e c o m p l i c a t e d , s i n c e h e r e is not the d e n s i t y , but t h e
reality g i v e n by a p o l y n o m i a l ( s. E q . [5.10] ).
F r o m the g a s law
P*

Pv' gas'T'Z
R

o n e h a s t h e f o l l o w i n g r e l a t i o n s b e t w e e n t h e first a n d s e c o n d d e r i v a t i v e s :
T
P

and

72

aqua

dP
dT

.
^

1 +

T
Pv

~7\7~

Pv
.i-r
dT

,
+
'

T
Z
v

v
dT

d Z

d P*

P*

dT

T
Pv
2

d Pv
f

T
P*

2-

dP
dT

2 =

[6.14]
T

dp

Pv

dT

dZ

dT

d%

Zv

dT

S i n c e the Z - d e r i v a t i v e s are
12

dZ

-3

dT

[6.15]

and

7=2

2 12

dZ
2

[6.16]

dT'
s o the d e n s i t y d e r i v a t i v e s in t h e c o l d s t e a m c a n b e d e s c r i b e d a s
12

dpy

Pv
T

dT

d Py
dT

7-3

[6.17]

7=2

[O,

3Q

+ Q

+ 2]

/ w -

12

c/7 c -

[6.18]

7=2

12

0.25

0 -

1)'(/-3)-Z .w y

7=2

/n the vicinity of the critical point A Q U A d e s c r i b e s the d e n s i t i e s a s

p(7)

CO(T)

p '(o{r)
c

[6.19]
1 + 6 / + T [L/ + T ( U + T

with 6 = 2.03 for the liquid a n d 6 =

L/ )]
4

2.03 for the v a p o r . T h e T - d e r i v a t i v e is

dr
dT

Pc

[6.20]

s o the first d e n s i t y d e r i v a t i v e s w i l l be
dp
dT

Pc dco
T

dx

Pc'9
T

- T

[6.21]

the function g being

derivatives

73

g =

m.

Bj

T(2U

T 4 )]
4

Pc'h

[.22]

The s e c o n d density-derivatives one can develop as

dp

do

Pc

Pc

^ ^

dg

1 ^ 7 L ^ - J tj-^
T

[s

23]

with
h = T - ^ - -

g = S / A / J - 1) + T (2
2

+ T 1 2 L/ )
2

[6.24]

OT

R e q u e s t i n g s m o o t h t r a n s i t i o n s at the s w i t c h i n g point for t h e d e n s i t y a n d its first a n d

s e c o n d d e r i v a t i v e s l e a d s to the f o l l o w i n g s y s t e m of e q u a t i o n s for t h e c o e f f i c i e n t s U :

2(o - g) + / - (1 - )(2-)b
6T

Uo =

u, =

4(o - g) + h - (1 --)(4-)b
2T

[6.25]

8o - 5 g + h - (2 - )(4-)b
3T

with t h e a b b r e v i a t i o n s

b =

74

aqua

and

P -

Pc

Pc

[6.26]

Appendix C. Adjusting the saturated states

To be in t h e r m a l e q u i l i b r i u m the p r e s s u r e s a n d the G i b b s - e n e r g i e s of the s a t u r a t e d
liquid a n d the s a t u r a t e d v a p o r must be in a c c o r d a n c e with e a c h o t h e r :
G

= G

and

= P

[C.1]

For the G i b b s - f u n c t i o n
G = A +

-f

[C.2]

a l o n g an i s o t h e r m it h o l d s :

dG|/=dp--g-

[C.3]

with
dG

dA

dp

.
+

1
8P
"77
T T
P
3p

8P

"TT

T T

ap

A 1

L^^J

S u p p o s e the liquid a n d the v a p o r state differ f r o m e a c h o t h e r by AP = P Pv a n d

A G = G Gv. To get rid of t h e s e d i f f e r e n c e s o n e n e e d s s m a l l c h a n g e s in the liquid
d e n s i t y , x a n d in the v a p o r d e n s i t y , y.
T h e d e n s i t y c h a n g e s , x a n d y c a n be c a l c u l a t e d a s f o l l o w s : T h e p r e s s u r e d i f f e r e n c e
c a n be t r a n s f o r m e d to
L

A P = P -P*

+ P*-P

-AP

+ AP

x
dp

with AP

= P* P a n d AP
L

The Eqs. [C.5]- [C.6]

[C.5]
v

= P* Pv. C o r r e s p o n d i n g l y o n e h a s for the G - s

A G = G G * + G*-G
L

+ y ^ dp

AG

+ AG

JL

^ .

[ C

.6]

c a n b e s o l v e d for x a n d y :
p

AG'p

PL -

Pv

dP\d

Pl

AG'Pi

'

AP

PL~

Pv

[C.7]

AP

dP/dp

U s i n g t h e p r o p e r t i e s in their r e d u c e d f o r m s l e a d s to :
p

(AG

x =

PL -

Pv

Pv

+ Z)
v

p -Z

Pv' v

P R \
[C8]

Pv

PL(
AG

PL ~ Pv '

L)

PR

adjusting

75

Appendix D.
DA

Module trees

Interactive routines

WATER

WATER
0NLYT(T,IECCH)
SUBCRI(T)
DLFIND(T,Q,DX,IECCH)
SUBCRI(T)
DILE(Y)
DIVE(Y)
DINLI(T,Q,FX,X,LT,IECCH)
BASE(T,DX,IECCH)
RESID(T,DX)
DVFIND(T,Q,DX,IECCH)
SUBCRI(T)
DIVE(Y)
DINVA(T,Q,FX,X,LT,IECCH)
BASE(T,DX,IECCH)
RESID(T.DX)
DGFIND(T,Q,DX,IECCH)
DINSU(T,Q,FX,X,IT,IECCH)
BASE(T,DX,IECCH)
RESID(T.DX)
HYDOR(T,RH,IECCH)
Figure 37, Module tree for the procedure WATER

Appendix D. Module trees

77

KAISOT

KAISOT
SERDIO(IRE,NORMR,IWR,NORMW,MODUS,KPRI)
SIGNAT(KLASSE,NUMMER,NAMF,MASF,NEIG)
NAPSZM(NR)
MUSTER(IA,IE,11,NAMR,MASR,NAMG,MASG,*200)
SDEXG8(KLASSE,NUMMER,MP
,T,TMI,TMA,TED,NAMT,MAST
,F,FMI,FMA,FED,NAMF,MASF,LOS)
HYDOR(T,RHI,IECCH)
FENST8(MP,RH,XF,RMI,RMA,RED,LAX,KAXE,MASR)
FENST8(MP,F,XF,FMI,FMA,FED,LAX,KAXE,MASF)
SDING8(KLASSE,NUMMER,MP
,RH,RMI,RMA,RED,NAMR,MASR
,F,FMI,FMA,FED,NAMF,MASF.MODUS)
Figure 38. Module tree for the procedure KAISOT
KAISOK

KAISOK
SERDI0(I RE,NORMR,IWR,NORMW,MODUS,KPRI)
SIGNAT(KLASSE,NUMMER,NAMF,MASF,NEIG)
NAPSZM(NR)
MUSTER(IA,IE,11,NAMR,MASR,NAMG,MASG,*200)
SDEXG8(KLASSE,NUMMER,MP
,T,TMI,TMA,TED,NAMT,MAST
,F,FMI,FMA,FED,NAMF,MASF,LOS)
HYDOR(T,RHI,IECCH)
FENST8(MP,RH,XF,RMI,RMA,RED,LAX,KAXE,MASR)
FENST8(MP,F,XF,FMI,FMA,FED,LAX,KAXE,MASF)
SDING8(KLASSE,NUMMER,MP
,RH,RMI,RMA,RED,NAMR,MASR
,F,FMI,FMA,FED,NAMF,MASF,MODUS)
Figure 39. Module tree for the procedure KAISOK

78

aqua

D.2

IVA3-R0UTINES

WASSER

WASSER(T,P,RW,HW,SW,CPW,VSW
,ETW,XLMBW,PRNW,HWlP,RWIT,RWlP,SRFTS, LCATAW)
ONLYT(T,IECCH)
DGFIND(T,Q,DX,IECCH)
DINSU(T,Q,FX,X,IT,IECCH)
BASE(T,DX,IECCH)
RESID(T,DX)
DLFIND(T,Q,DX,IECCH)
SUBCRI(T)
DILE(Y)
DIVE(Y)
DINLI(T,Q,FX,X,LT,IECCH)
BASE(T,DX,IECCH)
RESID(T.DX)
REDUK(T,DX,IECCH)
BASE(T,OX,IECCH)
RESID(T,OX)
TRANSP(T,RH,P1R0,P1T0,ETA,XLMB)
SRFTS=SIGMA(T)
Figure 40. Module tree for the procedure WASSER

DAMPF

DAMPF(T,P,RGAS,WGM,RD,HD,SD,CPD,VSD
,ETD,XLMBD,PRND,HD1P,RD1T,RD1P, LCATAD)
0NLYT(T,IECCH)
DGFIND(T,Q,DX,IECCH)
DINSU(T,Q,FX,X,IT,IECCH)
BASE(T,DX,IECCH)
RESID(T.DX)
DVFIND(T,Q,DX,IECCH)
SUBCRI(T)
DIVE(Y)
DINVA(T,Q,FX,X,LT,IECCH)
BASE(T,DX,IECCH)
RESID(T,DX)
REDUK(T,DX,IECCH)
BASE(T,DX,IECCH)
RESID(T,DX)
TRANSP(T,RH,PIRO,P1T0,ETA,XLMB)
Figure 41. Module tree for the procedure DAMPF

Appendix D. Module trees

79

RDRDP

RDRDP(T,P,RD,RD1P,LCATAD)
ONLYT(T,IECCH)
DGFIND(T,Q,DX,IECCH)
DINSU(T,Q,FX,X,IT,IECCH)
BASE(T,DX,IECCH)
RESID(T,DX)
DVFIND(T,Q,DX,IECCH)
SUBCRI(T)
DINVA(T,Q,FX,X,LT,IECCH)
BASE(T,DX,IECCH)
RESID(T,DX)
REDUK(T,DX,IECCH)
BASE(T,DX,IECCH)
RESID(T,DX)
TRANSP(T,RH,PIRO,P1T0,ETA,XLMB)
Figure 42. Module tree for the procedure RDRDP
SAET01

SAET01(T,P,VW,VD,HW,HD,HWD,SW,SD,TS1P,CPW,CPD
,ETW,ETD,XLMBW,XLMBD,SRFTS, LCATAS)
TCORR(T,Q,DLK,DVK,IECCH)
TS1(P,T,TS1P,IECCH)
0NLYT(T,IECCH)
SUBCRI(T)
GPC0RR(T,Q,DLK,DVK)
0NLYT(T,IECCH)
SUBCRI(T)
GPC0RR(T,Q,DLK,DVK)
TWOPHA(T)
REDUK(T,DX,IECCH)
BASE(T,DX,IECCH)
RESID(T,DX)
TRANSP(T,RH,PIRO,P1T0,ETA,XLMB)
SRFTS=SIGMA(T)
Figure 43. Module tree for the procedure SAET01

80

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D.3

SUB-ROUTINES

HYDOR

HYD0R(T,RH,IECCH)
0NLYT(T,IECCH)
SRFTS=SIGMA(T)
SUBCRI(T)
REDUKE(T,D,IECCH)
BASE(T,D,IECCH)
RESID(T,D)
TWOPHA(T)
TRANSPUT,RH,PIRO,P1T0,ETA,XLMB)
Figure 44. Module tree for the procedure HYDOR
SUBCRI

SUBCRI(T)
SSP(T)
SSRHO(T)
SPIRHO(T)
SPIP(T)
Figure 45. Module tree for the procedure SUBCRI
TWOPHA

TWOPHA(T)
SSCEV(T,CVL,CVV)
SSPER(T)
SSPET(T,PTL,PTV)
SSPET(T,PTL,PTV)
SSGIS(T,SL,GL)
SSETA(T,ETL,ETV)
SSLAM(T,XLL,XLV)
Figure 46. Module tree for the procedure TWOPHA

Appendix D. Module trees

81

GPCORR

GPCORR(T,Q,DLK,DVK)
BASE(T,DLK,IECCH)
RESID(T,DLK)
BASE(T,DVK,IECCH)
RESID(TjDVK)
Figure 47. Module tree for the procedure GPCORR
DINSU

DINSU(T,Q,FX,X,IT,IECCH)
QUADO(FX,X,Q,DX,JECCH)
MONIKA(FX,X,JECCH)
SORBET(KI,FX,X,Q,DX)
BASE(T,DX,IECCH)
RESID(T,DX)
Figure 48. Module tree for the function DINSU
DINLI

DINLI(T,Q,FX,X,IT,IECCH)
QUADO(FX,X,Q,DX,JECCH)
MONIKA(FX,X,JECCH)
SORBET(KI,FX,X,Q,DX)
BASE(T,DX,IECCH)
RESID(T.DX)
Figure 49. Module tree for the function DINLI
DINVA

DINVA(T,Q,FX,X,IT,IECCH)
QUADO(FX,X,Q,DX,JECCH)
MONIKA(FX,X,JECCH)
SORBET(KI,FX,X,Q,DX)
BASE(T,DX,IECCH)
RESID(T.DX)
Figure 50. Module tree for the function DINVA

82

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Appendix E. Common blocks

A s u b s t a n t i a l part of the data t r a n s f e r b e t w e e n the m o d u l s of the A Q U A c o d e t a k e s p l a c e
via c o m m o n b l o c k s . P r e s e n t a p p e n d i x s e r v e s to d e s c r i b e the m o s t important o n e s of
t h e e s e c o m m o n b l o c k s in an a b r i d g e d f o r m .
/SATIF/
PS,TPS1T TTPS2T,DL,DV,RL1T0,RV1T0,RHSL PSL RHSV PSV,SL,GL,
PL1R0 PL1T0,CVL,ETL,XLL,PV1R0,PV1T0,CW,ETV,XLV
c a r r i e s t h e r m a l p r o p e r t i e s in the s a t u r a t e d a n d s p i n o d a l s t a t e s , n a m e l y
I

PS, TPS1T, TTPS2T

the v a p o r p r e s s u r e a n d its first a n d s e c o n d d e r i v a t i v e s ,
SL, GL
the entropy and the G i b b s - f u n c t i o n of the s a t u r a t e d l i q u i d ,
DL, DV, R L 1 T 0 , R V 1 T 0
the s a t u r a t e d d e n s i t i e s with their r e d u c e d d e r i v a t i v e s ,
PL1R0, PV1R0, PL1T0, PV1T0
the d e n s i t y - r e s p . t e m p e r a t u r e - d e r i v a t i v e s of the p r e s s u r e in the s a t u r a t e d s t a t e s ,
C V L , C V V , E T L , ETV, X L L , X L V
the c o n s t a n t v o l u m e heat c a p a c i t i e s , the v i s c o s i t i e s a n d the t h e r m a l c o n d u c t i v i t i e s
in the s a t u r a t e d s t a t e s ,
a n d the d e n s i t i e s a n d p r e s s u r e s on the liquid a n d v a p o r s p i n o d a l s
RHSL, RHSV, PSL, PSV .
S A T I F is s u p p l i e d with data - u n d e r the d i r e c t i o n of S U B C R I a n d T W O P H A - by the
m o d u l s S S P , S S R H O , S P I R H O , S S P E R a n d S P I P . S A T I F s u p p l i e s data to the m o d u l s
DLFIND, DVFIND, R E D U K E , T S 1 , T C O R R , SAET01 and V D 1 .
/REDUF/
G0,S0,Z,P1T0 P1R0,CV0,CP0,ETA,XLMB,R1T0,CPC,H0,VQ
h o l d s t h e r m a l p r o p e r t i e s of the water, m o s t l y in the r e d u c e d f o r m , n a m e l y
I

SO, HO, GO
the entropy, the e n t h a l p y a n d the G i b b s - f u n c t i o n ,
Z
the factor of reality,
CVO, C P O , C P C
the c o n s t a n t v o l u m e and c o n s t a n t p r e s s u r e heat c a p a c i t i e s a n d their ratio,
P1T0, P I R O , R1T0
the d e n s i t y - r e s p . t e m p e r a t u r e - d e r i v a t i v e of the p r e s s u r e
a n d the t e m p e r a t u r e - d e r i v a t i v e of the d e n s i t y ,
ETA, X L M B
the v i s c o s i t y and the t h e r m a l c o n d u c t i v i t y
a n d the v a p o r quality
VQ .
R E D U F is filled e i t h e r by R E D U K or by R E D U K E , a n d u s e d by the m o d u l s H Y D O R , W A TER, W A S S E R , D A M P F and R D R D P .
/HYDUF/
S,G,H,H1P,U1R,CV,CP,P,P1T,P1R,R1T,R1P,ETA,XLMB,SRFTS,P1RS,
VS,PRN,V,VQ
is n e e d e d to s u p p l y the t h e r m a l p r o p e r t i e s of the w a t e r - c a l c u l a t e d by H Y D O R to the
prorams WATER, KAISOK AND KAISOT.

common

83

The following c o m m o n blocks

/BASIF/
and

GB,SB,ZB,PB1T0,PB1R0,CVB

/RESEF/
GR,SR,ZR,PR1T0,PR1R0,CVR
c a r r y c o n t r i b u t i o n s - in the r e d u c e d f o r m - to the t h e r m a l p r o p e r t i e s a s c a l c u l a t e d by
the m o d u l B A S E r e s p . R E S I D . T h e p r o p e r t i e s a r e :
S, G
the e n t r o p y a n d t h e G i b b s - f u n c t i o n ,
Z
the factor of reality,
P1T0, P1R0
the d e n s i t y - r e s p . t e m p e r a t u r e - d e r i v a t i v e of the p r e s s u r e , a n d
CV
t h e c o n s t a n t v o l u m e heat c a p a c i t y .
B A S I F a n d R E S E F a r e n e d e d by t h e m o d u l s D G F I N D , D L F I N D , D V F I N D , R E D U K , R E D U K E
and G P C O R R .
/TEMPO/

RT,B1,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI

h o l d s p r o p e r t i e s c a l c u l a t e d in O N L Y T , w h i c h d e p e n d o n l y f r o m the t e m p e r a t u r e a s e . g .
SI, G l , CVI
t h e e n t r o p y , the G i b b s - f u n c t i o n a n d the c o n s t a n t v o l u m e heat c a p a c i t y
of t h e ideal g a s .
R T is R G A S T in J / g. T h e r e m a i n i g p r o p e r t i e s are n e e d e d o n l y in B A S E .

84

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Appendix F. Property routines

The f o l l o w i n g r o u t i n e s s e r v e directly to d e s c r i b e s o m e t h e r m a l p r o p e r t y of the w a t e r .
The e s s e n t i a l o n e s a r e b a s i c a l l y the s a m e , a s the c o r r e s p o n d i n g r o u t i n e s in the H . G . K . code.

F.1

C
C
C
C
C
C
C

INR105.AQUA.FORT(BLOCK)

BLOCK DATA
BLOCKD
IMPLICIT REAL*8(A-H,0-Z)
BLOCKD
COMMON /AKONST/ WM,TC,DC,GASCON,Gl,G2,GF,TZ,UREF,SREF,TL0W
BLOCKD
COMMON /ADDCON/ ATZ(4),ADZ(4),AAT(4),AAD(4)
BLOCKD
COMMON /NCONST/ G(40),11(40),JJ(40),NC
BLOCKD
THIS BLOCKDATA SUBROUTINE SUPPLIES PARAMETERS AND COEFFICIENTS
BLOCKD
USED IN THE REST OF THE ROUTINES.
93/05/04 BLOCKD
D IN G/CM**3, GASCON IN J/(G*K), T IN K
BLOCKD
G l , G2, AND GF ARE THE ALPHA, BETA AND GAMMA OF EQ. A-2,
BLOCKD
G.II.JJ ARE THE G(I),K(I) AND L(I)
OF EQ. A-5.
BLOCKD
VALIDITY-LIMITS : TL0W=260. K, THIGH=25O0. K, PHIGH=3000. MPA
BLOCKD
DMAX=1.2 G/CM**3
BLOCKD
DATA ATZ/2*64.Dl,641.6D0,27.Dl/,ADZ/3*.319D0,1.55D0/,AAT/2*2.D4
BLOCKD
=,4.D4,25.D0/,AAD/34.D0,4.D1,3.D1,1.05D3/
BLOCKD
DATA WM/18.0152D0/,GASCON/.461522D0/,TZ/647.073D0/,NC/36/
BLOCKD
=,TLOW/260.D0/
BLOCKD
DATA UREF,SREF,TC,DC/-4328.455039D0,7.61808O2D0,647.126D0,O.322D0/BLOCKD
DATA Gl,G2.GF/11.00,44.33333333333300,3.500/
BLOCKD
DATA G/-.53062968529023D3, .22744901424408D4, .7877933302O687D3 BLOCKD
1, -.6983052737499402, .17863832875422D5,-.39514731563338D5
BLOCKD
2, .33803884280753D5,-.13855O50202703D5,-.2563743661326OD6
BLOCKD
3, .48212575981415D6,-.34183016969660D6, .12223156417448D6
BLOCKD
4, .1179743365583207,-.21734810110373D7, .10829952168620D7
BLOCKD
5, -.25441998064049D6,-.31377774947767D7, .52911910757704D7
BLOCKD
6, -.13802577177877D7,-.25109914369001D6, .46561826115608D7
BLOCKD
7, -.72752773275387D7, .41774246148294D6, .14016358244614D7
BLOCKD
8, -.31555231392127D7, .47929666384584D7, .40912664781209D6
BLOCKD
9, -.13626369388386D7, .69625220862664D6,-.108349OO096447D7
BLOCKD
A, -.22722827401688D6, .38365486O0066OD6, .68833257944332D4
BLOCKD
B, .21757245522644D5,-.26627944829770D4,-.7O73O418082O74D5
BLOCKD
C, -.22500,-1.6800,.05500,-93.000/
BLOCKD
DATA 11/4*0,4*1,4*2,4*3,4*4,4*5,4*6,4*8,2*2,0,4,3*2,4/
BLOCKD
DATA JJ/2,3,5,7,2,3,5,7,2,3,5,7,2,3,5,7,2,3,5,7,2,3,5,7,2,3,5,7 BLOCKD
=,2,3,5,7,1,3*4,0,2,0,0/
BLOCKD
END
BLOCKD

properties

85

F.2

C
C

C
C
C
C

86

INR105.AQUA.FORT(ONLYT)

SUBROUTINE ONLYT(T,IECCH)
THIS SUBROUTINE CALCULATES THERMAL PROPERTIES
DEPENDING ONLY FROM THE TEMPERATURE
93/08/30
IMPLICIT REAL*8(A-H,0-Z)
COMMON /AKONST/ WM.TC,DC,GASCON,Gl,G2,GF,TZ,UREF,SREF,TL0W
COMMON /TEMPO/ CGT,B1,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI
DIMENSION BP(7),BQ(7),C(18)
DATA BP/.7478629D0,-.3540782DO,2*0.DO,.7159876D-2,0.D0
=,-.3528426D-2/, BQ/1.127833400,0.D0,-.5944001D0
=, -5.01O996D0,0.DO,.63684256D0,0.00/
DATA C/.19730271018D2,.209662681977D2,-.483429455355D0
=,.605743189245D1,22.56O23885D0,-9.87532442D0,-.43135538513D1
=,.45815578100,-.477549018830-1,.412384606330-2,-.279290528520-3
=,.14481695261D-4,-.56473658748D-6,.16200446D-7,-.33O3822796D-9
=,.4519160673680-11,-.3707341227080-13,.137546068238D-15/
DATA UN/1.00/

IF(T .GE. TLOW)

GO TO 10
WRITE(6,'(16H TEMPERATURE T =,F10.4,13H K TOO LOW ! / ) ' ) T
IECCH=-4
RETURN
THIS PART CALCULATES THE B'S OF EQS. 3,4 USING COEFFICIENTS
FROM BLOCKDATA , CALCULATING ALSO THE FIRST AND SECOND DERIVS
W.R. TO TEMP. THE B'S CALCULATED HERE ARE IN CM3/G.
10 CGT=GASCON*T
T1=UN/T
TV=TZ*T1
B1=BP(7)*TV
B2=BQ(7)*TV
B1T=B1*5
B2T=B2*5
B1TT=B1T*6
B2TT=B2T*6
DO 20 1=1,4
JI=7-I
AP=BP(JI)
AQ=BQ(JI)
B1=(B1+AP)*TV
B2=(B2+AQ)*TV
AP=AP*(JI-2)
AQ=AQ*(JI-2)
B1T=(B1T+AP)*TV
B2T=(B2T+AQ)*TV
AP=AP*(JI-1)
AQ=AQ*(JI-1)
B1TT=(B1TT+AP)*TV
20 B2TT=(B2TT+AQ)*TV
B1=B1-BP(2)*DL0G(TV)+BP(1)
B2=B2+BQ(1)
B1T=(BP(2)-B1T)*T1
aqua

ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT

B2T=-B2T*T1
B1TT=(-BP(2)+B1TT)*T1*T1
B2TT=B2TT*T1*T1
C

C
THIS PART CALCULATES THE THERMODYNAMIC PROPERTIES FOR
C
WATER IN THE IDEAL GAS STATE FROM FUNCTION OF H.W. WOOLLEY
50 TT=T*l.D-2
TT1=UN/TT
TL=DLOG(TT)
GI=-(C(2)+C(1)*TT1)*TL
HI= C(2)+C(1)*(UN-TL)*TT1
CPI=C(2)-C(1)*TT1
DO 60 J=3,18
CIT=C(J)*TT**(J-6)
GI=GI-CIT
HI=HI+(J-6)*CIT
60 CPI=CPI+(J-5)*(J-6)*CIT
SI=HI-GI
CVI=CPI-UN
CRETURN
END
.3

ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT
ONLYT

INR105.AQUA.FORT(BASE)

SUBROUTINE BASE(T,D,IECCH)
BASE CALCULATES REDUCED THERMAL PROPERTIES OF THE WATER
VIA THE BASE-FUNCTION FOR A GIVEN TEMPERATURE, T AND DENSITY, D.
THE PROPERTIES ARE: ZB=P/(D*RT), PB1T0=(DP/DT)/(D*R),
PB1R0=(DP/DRH)/(T*R), GB=G/RT, SB=S/R, CVB=CV/R.
T IS IN K, D IS IN G/CM**3.
94/12/01
IMPLICIT REAL*8 (A-H.O-Z)
C G1,G2 AND GF ARE THE ALPHA, BETA AND GAMMA OF EQ 2, WHICH ARE
C SUPPLIED BY THE BLOCKDATA ROUTINE. B l AND B2 ARE THE "EXCLUDED
C VOLUME" AND "2ND VIRIAL" (EQS 3 AND 4) SUPPLIED BY THE SUBROUTINE
C BB(T), WHICH ALSO SUPLIES THE 1ST AND 2ND DERIVATIVES WITH
C RESPECT TO T (B1T,B2T,B1TT,B2TT).
COMMON /AKONST/ WM,TC,DC,GASCON,Gl,G2,GF,TZ,UREF,SREF,TL0W
COMMON /TEMPO/ CGT,B1,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI
COMMON /BASIF/ GB,SB,ZB,PB1TO,PB1R0,CVB
PARAMETER(DMAX=1.2D0)
DATA UN/1.DO/
IF(D .GT. DMAX)
THEN
WRITE(6,910O) D
IECCH = 4
RETURN
ENDIF
9100 FORMAT(12H DENSITY D =,G15.6,20H G/CM**3 TOO HIGH ! /)
10 YK=2.5D-1*B1*D
W=UN/(UN-YK)
W2=W*W
Z0=(UN+(G1+G2*YK)*YK)*W2*W
BPB=B2/B1
C
C
C
C
C

BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE

properties

Z1=4.D0*(BPB-GF)
ZB = Z0+Z1*YK
DZO=( 3.D0*ZO + (G1+2.D0*G2*YK)*W2 )*W
DBZ = DZO+Zl
AB = 17.4560887731D0 + Z1*YK + W*(UN-G2+28.16666667D0*W)
=+ DLOG(D*CGT*W)
GB = AB + ZB
UBB1=B1T/B1
UB = -T*(UBB1*(ZB-UN-D*B2) + D*B2T)
SB = UB - AB
CVB = 2.D0*UB + T*T*( (Z0-UN)*(UBB1*UBB1-B1TT/B1)
=- D*(B2TT-GF*B1TT) - UBB1*UBB1*YK*DZ0 )
PB1T0 = ZB + T*D*(B2T+(2.5D-1*DBZ-BPB)*B1T)
PB1R0 = ZB+DBZ*YK
RETURN
END
F.4

C
C
C
C
C
C
C
C

88

BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE
BASE

INR105.AQUA.FORT(RESID)

SUBROUTINE RESID(T,D)
RESID CALCULATES REDUCED THERMAL PROPERTIES OF THE WATER VIA
THE RESIDUAL-FUNCTION FOR A GIVEN TEMPERATURE, T AND DENSITY, D.
THE PROPERTIES ARE: ZR=P/(D*RT), PR1T0=(DP/DT)/(D*R),
PR1R0=(DP/DRH)/(T*R), GR=G/RT, SR=S/R, CVR=CV/R.
T IS IN K, D IS IN G/CM**3.
94/11/30
TERMS 37 THRU 39 ARE THE ADDITIONAL TERMS AFFECTING ONLY THE
IMMEDIATE VICINITY OF THE CRITICAL POINT, AND TERM 40 IS THE
ADDITIONAL TERM IMPROVING THE LOW T, HIGH P REGION.
IMPLICIT REAL*8(A-H,0-Z)
DIMENSION QR(11),QT(10),QZR(9),QZT(9)
COMMON /AKONST/ WM.TC,DC,GASCON,Gl,G2,GF,TZ,UREF,SREF,TL0W
COMMON /ADDCON/ ATZ(4),ADZ(4),AAT(4),AAD(4)
COMMON /NCONST/ G(40),11(40),JJ(40),NC
COMMON /TEMPO/ CGT,B1,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI
COMMON /RESEF/ GR,SR,ZR,PR1T0,PR1R0,CVR
EQUIVALENCE (QR(3),QZR(1)),(QT(2),QZT(1))
DATA ZERO,UN/O.DO,1.DO/
GASI=UN/GASCON
QR(l)=ZERO
PRR=ZERO
PR=ZERO
AR=ZERO
DADT=ZERO
CVR=ZERO
PTR=ZERO
IF(D .LT. l.D-15)
GO TO 90
W =D
TWPD=2.D0/D
IF(W .GE. l.D-3)
THEN
E=DEXP(-W)
Q20=UN-E
ELSE
Q20=W*(UN-5.D-1*W*(UN-3.3333333D-1*W))

aqua

RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID

E=UN-Q20
ENDIF
VER0=E/Q20
VER1=VER0*D*D
Q10=D*D*E
Q10RT=Q10*CGT
QR(2)=Q10
QT(1)=T/TZ
DO 11 1=2,10
IF(QR(I) .LE. l.E-35) QR(I)=ZERO
QR(I+1)=QR(I)*Q20
QT(I)=QT(I-1)*TV
DO 21 1=1,NC
K=II(I)+1
L=JJ(I)
GPP=G(I)*QZT(L)
QP=GPP*QZR(K-1)
PR = PR + QP
PRR = PRR + QP*( TWPD - (UN-(K-1)*VER0) )
BUAM=K*L0G(Q20)
IF(BUAM .LE. -35.)
AUA=ZERO
IF(BUAM .GT. -35.) AUA=EXP(BUAM)
AR=AR+GPP*QZR(K)/(K*Q10RT)
DFDT=AUA*(1-L)*QZT(L+1)/(TZ*K)
GPDT=G(I)*DFDT
DADT=DADT+GPDT
DPT=GPDT*K*VER1
PTR=PTR+DPT
D2F=L*GPDT*GASI
CVR=CVR+D2F
QP=ZERO
Q2A=ZER0
DO 31 J=37,40
IF(G(J) .EQ. ZERO)
GO TO 31
K=II(J)
KM=JJ(J)
DDZ = ADZ(J-36)
DDZl = UN/DDZ
DEL = D*DDZ1 - UN
IF(DABS(DEL) .LT. l.D-10)
DEL=1.D-10
EX1 = -AAD(J-36)*DEL**K
IF(EX1 .GT. -170.DO) DEX=DEXP(EX1)*DEL**i<M
IF(EX1 .LE. -170.DO) DEX=ZERO
ATT = AAT(J-36)
TXl=UN/ATZ(J-36)
TA=T*TX1
TAU=TA-UN
EX2 = -ATT*TAU*TAU
IF(EX1+EX2 .GT. -170.DO)
THEN
TEX=DEXP(EX2)
Q10 = DEX*TEX
IF(DABS(Q10) .LT. l.D-14)
Q10=ZERO
ELSE
QIO = ZERO
GO TO 31

RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
properlies

ENDIF
QM1 = KM/DEL
QM2 = K*AAD(J-36)*DEL**(K-2)
QM = QM1 - QM2*DEL
FCT1=D*D*Q10*DDZ1
FCT=QM*FCT1
Q5T = (FCT1*DDZ1)*(QM*(TWPD*DDZ+QM) - (QM1/DEL+(K-1)*QM2))
PRR = PRR + Q5T*G(J)
QP = QP + G(J)*FCT
GATT = 2.D0*G(J)*ATT*TX1
GATTA = GATT*TAU
IF(DABS(GATTA) .LT. l.D-14)
GATTA=ZERO
DADT = DADT - Q1Q*GATTA
PTR = PTR - GATTA*FCT
Q2A = Q2A + Q10*GATT*(2.D0*EX2+UN)*TA
AR = AR + Q10*G(J)/CGT
31 CONTINUE
CVR = CVR + Q2A*GASI
PR = PR + QP
ZR = PR/(CGT*D)
PRITO = PTR/(GASCON*D)
PR1R0 = PRR/CGT
90 GR = AR + ZR
SR = -DADT*GASI
RETURN
END
F.5

F.6

C
C
C
C
C
C
C
C

90

RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID
RESID

INR105.AQUA.FORT(SIGMA)

FUNCTION SIGMA(T)
SIGMA
CALCULATES THE SURFACE TENSION OF THE WATER IN N/M
94/12/07 SIGMA
IMPLICIT REAL*8(A-H,0-Z)
SIGMA
PARAMETER(TC=647.126D0,BG=O.2358D0,BK=-0.625D0,AMU=1.256D0)
SIGMA
Y=(TC-T)/TC
SIGMA
SIGMA=BG*(1+BK*Y)*Y**AMU
SIGMA
RETURN
SIGMA
END
SIGMA
INR105.AQUA.FORT(TRANSP)

SUBROUTINE TRANSP(T,RH,PIRO,P1T0,ETA,XLMB)
TRANSP
TRANSP CALCULATES THE TRANSPORT PROPERTIES
TRANSP
VISCOSITY ( ETA ) AND THERMAL CONDUCTIVITY ( XLMB )
TRANSP
AS FUNCTIONS OF THE TEMPERATURE ( T ) AND THE DENSITY ( RH ).
TRANSP
ALL THE PROPERTIES ARE IN IN S.I. UNITS .
TRANSP
'TRANSP' NEEDS ALSO THE REDUCED PRESSURE DERIVATIVES
TRANSP
PIRO = DP/(RGAS*T*DRHO) AND P1T0 = DP/(RGAS*RHO*DT)
TRANSP
FOR CALCULATING THE NONREGULAR PART OF THE
TRANSP
THERMAL CONDUCTIVITY ( DELLAM )
94/12/01 TRANSP
IMPLICIT REAL*8(A-H,0-Z)
TRANSP
DIMENSION E0(4),X0(4),BE(6,5),BX(5,6)
TRANSP
PARAMETER(TC=647.126D0,RGAS=4.61522D+2)
TRANSP
aqua

C
C

C
C

DATA RZO,TZO,PZO/317.763D+O,647.126D+0,22.115D+6/
=,CC,0MEGA,AC,BC/3.77110-8,0.46780+0,18.660+0,1.00+0/
DATA E0/1.815830-2,1.776240-2,1.052870-2,-0.36744D-2/
DATA X0/2.022230+0,1.4111660+1,5.255970+0,-2.018700+0/
DATA BE/5.019380-1,1.628880-1,-1.30356D-1,9.079190-1,-5.511190-1
=,1.465430-1,2.35622D-1,7.89393D-1,6.736650-1,1.2075520-0
=,6.706650-2,-8.43370D-2,-2.746370-1,-7.43539D-1,-9.594560-1
= ,-6.87343D-1,-4.970890-1,1.952860-1,1.45831D-1,2.631290-1
=,3.472470-1,2.13486D-1,1.007540-1,-3.293200-2,-2.704480-2
=,-2.53093D-2,-2.67758D-2,-8.22904D-2,6.O2253D-2,-2.02595D-2/
DATA BX/1.32930460D-0,1.70183630-0,5.2246158D-0,8.7127675D-0
=,-1.8525990-0,-4.04524370-1,-2.2156845D-0,-1.01241110+1
=,-9.50006110-0,9.3404690-1,2.4409490-1,1.65110570-0,4.98746870-0
=,4.37866060-0,0.0-0,1.8660751D-2,-7.67360020-1,-2.72976940-1
=,-9.17837820-1,0.0-0,-1.29610680-1,3.7283344D-1,-4.30833930-1
=,0.0-0,0.0-0,4.48099530-2,-1.1203160-1,1.33338490-1,0.0-0,0.0-0/
THE IDEAL TEMPERATURE
TID=PZ0/(RZ0*RGAS)
TR=T/TID
REDUCED VARIABLES
TT=T/TZ0
T1=1.D0/TT
T2=SQRT(TT)
T3=Tl-l.D-0
T4=TT-l.D-0
RR=RH/RZ0
R2=SQRT(RR)
R3=RR-l.D-0
VISCOSITY
EN=E0(1)+T1*(E0(2)+T1*(EO(3)+T1*E0(4)))
ETA0=T2*l.D-6/EN
ESU=0.D0
DO 110 J=6,l,-1
BEJ = BE(J,1)+R3*(BE(J,2)+R3*(BE(J,3)+R3*(BE(J,4)+ R3*BE(J,5))))
110 ESU=T3*ESU+BEJ
ETA=ETAO*EXP(RR*ESU)
THERMAL CONDUCTIVITY
XN=X0(1)+T1*(X0(2)+T1*(X0(3)+T1*X0(4)))
XLA0=T2/XN
EXU=O.D0
DO 210 1=5,1,-1
BXI = BX(I,1)+R3*(BX(I,2)+R3*(BX(I,3)
=+R3*(BX(I,4)+R3*(BX(I,5)+R3*BX(I,6)))))
210 EXU=T3*EXU+BXI
QXQ=RR*EXU
XLMB=XLAO*EXP(RR*EXU)
NONREGULAR PART OF THE THERMAL CONDUCTIVITY
ISOTHERMAL COMPRESSIBILITY
230 IF(P1R0 .NE. 0.D0)
CHIT = RR/(TR*P1R0)
IF(P1R0 .EQ. 0.00)
CHIT = 1.D40
FIO = ABS(CHIT)
IF(FIO .EQ. O.DO)
FIO-l.D-6
CHITE = FIO**OMEGA
ZW=R3*R3
DAMPNG FUNCTION OF SENGERS, J . V. , 10TH INT. CONF. ON STEAM

TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP

properties

91

CHECKA=R2*EXP(-AC*T4*T4-BC*ZW*ZW)
ZW=TR*P1T0
DELLAM =(CC/ETA)*(ZW*ZW)*CHITE*CHECKA
XLMB=XLMB+DELLAM
999 RETURN
END
F.7

c
c
c
c
c
c

92

TRANSP
TRANSP
TRANSP
TRANSP
TRANSP
TRANSP

INR105.AQUA.FORT(SSP)

SUBROUTINE SSP(T)
SSP(T) CALCULATES APPROXIMATIONS
TO THE VAPOR PRESSURE
P(T)
( PS
)
TO ITS FIRST
T*DPS(T)/DT
( TPSIT )
AND SECOND DERIVATIVE
T*T*D2PS(T)/DT**2
( TTPS2T )
AS FUNCTIONS OF THE INPUT TEMPERATURE T IN PA-S.
AFTER WAGNER ET SAUL, 1984, IAPS MOSCOW CONFERENCE.
94/11/30
IMPLICIT REAL*8(A-H,0-Z)
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RL1T0,RVITO,RHSL,PSL
=,RHSV,PSV,SL,GL,PL1R0,PL1T0,CVL,ETL,XLL,PV1RO,PV1T0,CVV,ETV,XLV
PARAMETER(TC=647.126D0,PC=22.0549D6)
DATA UN/1.DO/
IF(T .GT. TC)
RETURN
TR=T/TC
TI=UN/TR
W=SQRT(UN-TR)
W3=W*W*W
W7=W*W3*W3
POLA = -7.85823D+0 + W*( 1.83991D+0 - W3*( 11.7811D+0
= - W*( 22.6705OD+O - W*( 15.9393D+0 - W7*l.77516D+0 ) ) ) )
POLB = W*( 9.19955D-1 - W3*( 23.5622D+0
= - W*( 56.67625D+0 - W*( 47.8179D+0 - W7*11.53854D+B ))))
POLC = W*( 1.3799325D-0 - W3*( 70.6866D+0
= - W*( 198.366875D+0 - W*( 191.2716D+0 - W7*86.539O5D+0 ) ) ) )
SSPLN=(TI-UN)*POLA
PS=EXP(SSPLN)*PC
Ql=-(TI*POLA+POLB)
TPS1T=PS*Q1
IF(T .EQ. TC)
RETURN
Q2=(TI*P0LA+P0LB+P0LC/(TI-UN))
TTPS2T=PS*(Q2-Q1*(UN-Q1))
RETURN
END

aqua

SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP
SSP

F.8

INR105.AQUA.FORT(TS1)

SUBROUTINE TS1(P,TS,TS1P,IECCH)
TS1
TS1 RETURNS - AT A GIVEN PRESSURE P IN PA - APPROXIMATED VALUES TS1
FOR THE SATURATION TEMPERATURE, TS AND
TS1
FOR THE DERIVATIVE TS1P = DTS/DP
94/12/01 TS1
IMPLICIT REAL*8(A-H,0-Z)
TS1
COMMON /SATIF/ PS,TPS1T,TTPS2T,DL,DV,RL1T0,RV1T0,RHSL,PSL
TS1
=,RHSV,PSV,SL,GL,PL1RO,PL1T0,CVL,ETL,XLL,PV1R0,PV1T0,CVV,ETV,XLV TS1
PARAMETER(PMIN=6.1D+2,PCN=21.75966D6,PC=22.0549D6)
TS1
C
PARAMETER(TMIN=273.15DO,TCN=646.O0,TC=647.126DO)
TS1
DATA FINIS/l.D-5/
TS1
IF(P .GE. PMIN .AND. P .LE. PC)
GO TO 10
TS1
WRITE(6,9100) P
TS1
IF(P .LT. PMIN)
IECCH=-2
TS1
IF(P .GT. PC)
IECCH=+2
TS1
RETURN
TS1
C
ANALYTIC DESCRIPTION
TS1
10 IF(P .GT. PCN)
THEN
TS1
TS=562.764692D0+3.82515211D-6*P
TS1
ELSE
TS1
PL=DL0G(P)-11.512925465D0
TS1
TS=372.83D0+
TS1
PL*(27.7589D0+PL*(2.3819DO+PL*(0.24834DO+PL*0.193855D-1))) TS1
ENDIF
TS1
C
CORRECTURES
TS1
DO 21 K=l,7
TS1
CALL SSP(TS)
TS1
IF(P .GE. PCN)
GO TO 90
TS1
DP=P-PS
TS1
DEV=ABS(DP/P)
TS1
IF(DEV .LT. FINIS)
GO TO 90
TS1
21 TS = TS*(1.D0+DP/TPS1T)
TS1
IECCH=3
TS1
WRITE(6,9300)
TS1
RETURN
TS1
90 TS1P=TS/TPS1T
TS1
9100 F0RMAT(27H PRESSURE RANGE EXCEED! P =,G15.6,7H PASCAL)
TS1
9300 FORMAT(51H ITERATION FOR THE SATURATUION TEMPERATURE FAILED ! ) TS1
RETURN
TS1
END
TS1
C
C
C

F.9

C
C
C
C
C

INR105.AQUA.FORT(SSRHO)

SUBROUTINE SSRHO(T)
SSRHO RETURNS APPROXIMATED VALUES OF THE DENSITIES OF
THE SATURATED LIQUID ( DL ) AND THE SATURATED VAPOR ( DV )
- IN G/CM**3 ! - AS FUNCTIONS OF THE TEMPERATURE ( T ).
SSRHO CALCULATES ALSO THE REDUCED DENSITY DERIVATIVES
RL1T0 = T/RHL * DRHL/DT AND RV1T0 = T/RHV * DRHV/DT.
94/12/01
IMPLICIT REAL*8(A-H,0-Z)
DIMENSION PUL(12),DPUL(12),PUV(12),DPUV(12)

SSRHO
SSRHO
SSRHO
SSRHO
SSRHO
SSRHO
SSRHO
SSRHO

properties

COMMON /SATIF/ PS,TPSIT,TTPSZT,DL,DV,RL1TG,RV1T0,RHSL,PSL

SSRHO
=,RHSV,PSV,SL,GL,PL1R0,PL1T0,CVL,ETL,XLL,PV1RO,PV1TO,CVV,ETV,XLV
SSRHO
PARAMETER(TC=647.126D0,DC=0.322D0,RGAS=4.61522D+2)
SSRHO
PARAMETER(BR=2.O3DO,BET=O.325D0)
SSRHO
DATA PUL/
6.072746418D+0,-149.9456O89D+O,2.1210O7381D+3
SSRHO
=,-17.16483301D+3,90.17684684D+3,-323.0456O94D+3,805.4435472D+3
SSRHO
=,-1.3985153050+6,1.6586963650+6,-1.2811954160+6,580.74142780+3
SSRHO
=,-117.18190970+3/
SSRHO
DATA DPUL/ 0.0D+0,-74.97280445D+0, 2.1210073810+3
SSRHO
=,-25.747249515D+3, 180.35369368D+3,-8O7.6140235D+3
SSRHO
=, 2.4163306416D+6,-4.8948035675D+6, 6.63478546D+6
SSRHO
=,-5.765379372D+6, 2.903707139D+6, -644.5O050335D+3/
SSRHO
DATA PUV/-1.1259993980+0,42.152845380+0,-538.08310030+0
SSRHO
=,4.150173161D+3,-20.809477510+3,71.295O7069D+3,-170.4446088D+3
SSRHO
=,284.4989747D+3,-325.1357165D+3,242.459309OD+3,-106.2552030D+3
SSRHO
=,20.7476267OD+3/
SSRHO
DATA DPUV/0.0D+0,21.076422690+0,-538.08310030+0,6.2252597410+3
SSRHO
=,-41.61895501D+3,178.2376767D+3,-511.3338264D+3,995.7464115D+3
SSRHO
=,-1.3005428660+6,1.0910668910+6,-531.27601480+3,114.11194690+3/ SSRHO
IF(T .GE. TC)
THEN
SSRHO
DL = DC
SSRHO
DV = DC
SSRHO
RETURN
SSRHO
ENDIF
SSRHO
Y = (TC-T)/TC
SSRHO
CHI = T/(T-TC)
SSRHO
IF(T .LE. 620.DO)
THEN
SSRHO
C
LOW TEMPERATURES
SSRHO
W = SQRT(Y)
SSRHO
OML = PUL(12)
SSRHO
TDOML = DPUL(12)
SSRHO
ZV = PUV(12)
SSRHO
TDZV = DPUV(12)
SSRHO
DO 31 K = 11,1,-1
SSRHO
TDOML = TDOML*W+DPUL(K)
SSRHO
TDZV = TDZV*W+DPUV(K)
SSRHO
OML = OML*W+PUL(K)
SSRHO
31
ZV = ZV*W+PUV(K)
SSRHO
DLOML = TDOML/OML
SSRHO
DV = PS*l.D-3/(RGAS*T*ZV)
SSRHO
DLZV = CHI*TDZV/ZV
SSRHO
RVITO = TPS1T/PS -1.00 -DLZV
SSRHO
ELSE
SSRHO
C
NEAR CRITICAL TEMPERATURES
SSRHO
BEG = BR*Y**BET
SSRHO
EB = BEGEBET
SSRHO
AL = Y*(3.075668853D-0-Y*(19.58060683D-0-Y*Y*l.3830866890+3)) SSRHO
OML = 1.D0 + BEG + AL
SSRHO
DAL = AL -Y*Y*(19.58O6O683D-O-Y*Y*4.14926O067D+3)
SSRHO
DLOML = (EB + DAL)/OML
SSRHO
AV = Y*(1.451962241D-0-Y*(5.041325559D-0-Y*Y*611.18107490-0)) SSRHO
OMV = l.DO -BEG + AV
SSRHO
DAV = AV -Y*Y*(5.041325559D-0 -Y*Y*1.8335432250+3)
SSRHO
DV = OMV*DC
SSRHO
RV1T0 = CHI*(-EB + DAV)/OMV
SSRHO
94

aqua

ENDIF
DL = OML*DC
RLITO = DLOML*CHI
RETURN
END
F.10

SSRHO
SSRHO
SSRHO
SSRHO
SSRHO

INR105.AQUA.FORT(SPIRHO)

SUBROUTINE SPIRHO(T)
SPIRHO
SPIRHO RETURNS - FOR A GIVEN TEMPEREATURE T - APPROXIMATED VALUES SPIRHO
OF THE DENSITY OF THE LIQUID SPINODAL ( RHSL ) AND
SPIRHO
OF THE VAPOR SPINODAL ( RHSV ) IN KG/M**3.
94/12/01 SPIRHO
IMPLICIT REAL*8(A-H,0-Z)
SPIRHO
DIMENSION PUL(9),PUV(9)
SPIRHO
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RLITO,RV1T0,RHSL,PSL
SPIRHO
=,RHSV,PSV,SL,GL,PL1R0,PL1T0,CVL,ETL,XLL,PV1R0,PV1TO,CVV,ETV,XLV SPIRHO
PARAMETER(TC=647.126D0,RHC=322.DO,RGAS=4.61522D+2)
SPIRHO
PARAMETER(BSP=1.40D0,BET=0.325D0)
SPIRHO
DATA PUL/1.9118887660+0,-16.541578990+0,179.73581940+0
SPIRHO
=,-94O.1374463D+0,2.957964417D+3,-5.752429056D+3,6.772987553D+3
SPIRHO
=,-4.4280017590+3,1.2344413220+3/
SPIRHO
DATA PUV/0.9201508683D-0,-2.159701944D-0,-0.2932760492D-0
SPIRHO
=,6.324940268D-0,-10.495978910-0,8.78261245D-0,-3.119252324D-0
SPIRHO
=,0.00,0.00/
SPIRHO
IF(T .GE. TC)
THEN
SPIRHO
RHSL = RHC
SPIRHO
RHSV = RHC
SPIRHO
RETURN
SPIRHO
ENDIF
SPIRHO
Y = (TC-T)/TC
SPIRHO
IF(T .LE. 620.DO)
THEN
SPIRHO
C
LOW TEMPERATURES
SPIRHO
W = SQRT(Y)
SPIRHO
OML = PUL(9)
SPIRHO
OMV = PUV(9)
SPIRHO
DO 31 1=8,1,-1
SPIRHO
OML = OML*W+PUL(I)
SPIRHO
31
OMV = OMV*W+PUV(I)
SPIRHO
ELSE
SPIRHO
C
NEAR CRITICAL TEMPERATURES
SPIRHO
AL = Y*(487.1717941D-3+Y*(24.26899415D-0-Y*Y*2.461494028D+3)) SPIRHO
OML = 1.D0 + BSP*Y**BET + AL
SPIRHO
AV = Y*(1.132819731D-0-Y*(30.70131059D-0-Y*Y*3.3249449360+3)) SPIRHO
OMV = 1.D0 - BSP*Y**BET + AV
SPIRHO
ENDIF
SPIRHO
RHSL = OML*RHC
SPIRHO
RHSV = OMV*RHC
SPIRHO
RETURN
SPIRHO
END
SPIRHO

C
C
C

properties

F.11

INR105.AQUA.FORT(SPIP)

SUBROUTINE SPIP(T)
SPIP
SPIP RETURNS - FOR A GIVEN TEMPEREATURE T - APPROXIMATED VALUES SPIP
OF THE PRESSURE OF THE LIQUID SPINODAL ( PSL ) AND
SPIP
OF THE VAPOR SPINODAL ( PSV ) IN PASCALS.
94/12/01 SPIP
IMPLICIT REAL*8(A-H,0-Z)
SPIP
DIMENSION PUL(9),PUV(9)
SPIP
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RL1T0,RV1T0,RHSL,PSL
SPIP
=,RHSV,PSV,SL,GL,PL1RO,PL1T0,CVL,ETL,XLL,PV1R0,PV1T0,CVV,ETV,XLV
SPIP
PARAMETER(TC=647.126D0,RHC=322.DO,RGAS=4.61522D+2)
SPIP
PARAMETER(PSVCL=498.D6,PSVCV=200.D6,PC=22.0549D6)
SPIP
DATA PUL/-1.387361801D-3,151.03419O1D-3,1.98O521347D-O
SPIP
2.921317875D-0,-38.3240633D-O,162.2329521D-0
SPIP
-384.0027285D-O,479.3961544D-O,-264.1248035D-0/
SPIP
DATA PUV/-749.7146775D-6,162.845372D-3,-319.0428782D-3
SPIP
-1.582269493D-0, 6.78742O254D-0,-10.41333815D-0
SPIP
7.599390008D-0,-2.285884902D-0,0.D0/
SPIP
IF(T .GE. TC)
THEN
SPIP
PSL=PC
SPIP
RETURN
SPIP
ENDIF
SPIP
Y=(TC-T)/TC
SPIP
IF(T .LE. 620.DO)
THEN
SPIP
C
LOW TEMPERATURES
SPIP
DPSL = PUL(9)
SPIP
DPSV = PUV(9)
SPIP
DO 31 1=8,1,-1
SPIP
DPSL = DPSL*Y+PUL(I)
SPIP
31
DPSV = DPSV*Y+PUV(I)
SPIP
ELSE
SPIP
C
NEAR CRITICAL TEMPERATURES
SPIP
DPSL = Y*(52.35363429D-3+Y*(4.419437236D-0-Y*18.86727538D-0)) SPIP
DPSV = Y*(110.3469546D-3+Y*(913.150777D-3 -Y*10.87001272D-0)) SPIP
ENDIF
SPIP
PSL=PS-DPSL*PSVCL
SPIP
PSV=PS+DPSV*PSVCV
SPIP
RETURN
SPIP
END
SPIP
C
C
C

F.12

C
C
C
C
C

96

INR105.AQUA.FORT(SSPER)

SUBROUTINE SSPER(T)
SSPER RETURNS - FOR A GIVEN TEMPERATURE T APPROXIMATED DENSITY DERIVATIVES OF THE PRESSURE
IN THE SATURATED STATES - IN REDUCED FORM .
94/12/01
PL1R0 = D(P,L)/DRH * 1/(RGAS*T)
PV1R0 = D(P,V)/DRH * 1/(RGAS*T)
IMPLICIT REAL*8(A-H,0-Z)
DIMENSION PUL(12),PUV(12)
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RL1T0,RV1T0,RHSL,PSL
=,RHSV,PSV,SL,GL,PL1RO,PL1T0,CVL,ETL,XLL,PV1R0,PV1T0,CVV,ETV,XLV

aqua

SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER

PARAMETER(TC=647.126D0,DC=322.D-3,PR0C=15.D0,GAM=1.24D0)
DATA PUL/91.683268540-3,141.03588040-3,293.7457730-0
=,-3.694718543D+3,35.3159487D+3,-224.50519130+3,968.1021275D+3
=,-2.8373210190+6,5.560661663D+6,-6.973719089D+6,5.058540246D+6
-,-1.6152449630+6/
DATA PUV/1.4354291190-3,3.7385539170-0,3.5520969470-0
=,-55.885O7759D-O,217.5743793D-0,-535.2445068D-0,812.4224243D-0
=,-670.9285889D-0,229.O827484D-0,0.D0,0.D0,0.D0/
IF(T .GE. TC)
THEN
SSPRHL = 0.D0
RETURN
ENDIF
Y=(TC-T)/TC
IF(T .LE. 620.DO)
THEN
C
LOW TEMPERATURES
PL1R0 = PUL(12)
PV1R0 = PUV(12)
DO 31 1=11,1,-1
PL1R0 = PL1R0*Y+PUL(I)
31
PVIRO = PV1R0*Y+PUV(I)
ELSE
C
NEAR CRITICAL TEMPERATURES
YGA = Y**GAM
FIL = PROC
-Y*(79.73057836D-0+Y*(43O.1476885D-0-Y*14139.7632D+0))
FIV = PROC
+Y*(369.6750971D-0-Y*(5110.089071D-0-Y*46121.09080-0))
PL1R0 = (DL/DC)*FIL*YGA
PV1R0 = (DV/DC)*FIV*YGA
ENDIF
RETURN
END
F.13

C
C
C
C
C

SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER
SSPER

INR105.AQUA.FORT(SSPET)

SUBROUTINE SSPET(T,PL1T0,PV1TO)
SSPET RETURNS - FOR A GIVEN TEMPERATURE T APPROXIMATED TEMPERATURE DERIVATIVES OF THE PRESSURE
IN THE SATURATED STATES - IN REDUCED FORM .
94/12/01
PL1T0 = D(P,L)/DT * 1/(RGAS*RH,L)
PV1T0 = D(P,V)/DT * 1/(RGAS*RH,V)
IMPLICIT REAL*8(A-H,0-Z)
DIMENSION PUL(12),PUV(12)
PARAMETER(TC=647.12600,PT0C=1.802157320-0)
DATA PUL/1.818884544D-0,16.407377360-0,-65.854557590-0
=,52.04371914D-0,4.031238729D+3,-47.2570313D+3,277.4234268D+3
=,-988.33240030+3,2.2189197580+6,-3.0776776740+6,2.4145556990+6
=,-821.00022440+3/
DATA PUV/2.0297007290-0,-125.54706490-3,-61.544071760-0
=,544.87511750-0,-2.848188899D+3,9.7089777830+3,-21.262519290+3
=,28.710965330+3,-21.755272460+3,7.082224609D+3.0.00,0.00/
IF(T .GE. TC)
THEN
PL1TG = PT0C

SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET

properties

97

PVITO = PT0C
RETURN
ENDIF
Y=(TC-T)/TC
IF(T .LE. 620.D0)
THEN
C
LOW TEMPERATURES
PL1T0 = PUL(12)
PVITO = PUV(12)
DO 31 1=11,1,-1
PL1T0 = PL1T0*Y+PUL(I)
31
PVITO = PV1T0*Y+PUV(I)
ELSE
C
NEAR CRITICAL TEMPERATURES
PL1T0 = PTOC
+ Y*(17.63135647D-0-Y*(97.958O69O3D-0-Y*451.8O53522D-0))
PVITO = PT0C
+ Y*(16.00172011D-0-Y*(439.3063303D-0-Y*3359.729201D-0))
ENDIF
RETURN
END
F.14

INR105.AQUA.FORT(SSCEV)

SUBROUTINE SSCEV(T,CVL,CVV)
SSCEV RETURNS - FOR A GIVEN TEMPERATURE T - APPROXIMATED VALUES
OF THE CONSTANT VOLUME HEAT CAPACITY
IN THE SATURATED LIQUID ( CVL ) AND
IN THE SATURATED VAPOR ( CVV ) IN RGAS UNITS.
94/12/01
IMPLICIT REAL*8(A-H,0-Z)
DIMENSION PUL(12),PUV(12)
PARAMETER(TC=647.126D0,ALF=-1.0D-1)
DATA PUL/7.4305O55D-0,-24.93618O16D-O,195.5654567D-0
=,1.986485797D+3,-53.3Q543411D+3,505.6971723D+3,-2.724774677D+6
=,9.167737673D+6,-19.62203378D+6,25.98472533D+6,-19.41943135D+6
=,6.263206554D+6/
DATA PUV/8.956404735D-0,-33.97230774D-O,126.5786602D-0
=,-513.7462523D-0,1.521138693D+3,-2.182266721D+3,-73.57828067D-0
=,4.483361889D+3,-5.407324042D+3,2.099821164D+3,0.DO,0.DO/
IF(T .GE. TC)
THEN
CVL = O.D0
CVV = 0.D0
RETURN
ENDIF
Y = (TC-T)/TC
IF(T .LE. 620.DO)
THEN
C
LOW TEMPERATURES
CVL = PUL(12)
CVV = PUV(12)
DO 31 1=11,1,-1
CVL = CVL*Y+PUL(I)
31
CVV = CVV*Y+PUV(I)
ELSE
C
NEAR CRITICAL PART OF THE SATURATION LINE
C
C
C
C

98

SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET
SSPET

aqua

SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV

BEG = Y**ALF
PSIL = 4.5D-0 +
Y* (15.21452O07D-0-Y*(167.2951053D-0-Y*1.0423336180+3))
PSIV = 5.1D-0 +
Y*(42.35451412D-0-Y*(1.002675527D+3-Y*6.911203183D+3))
CVL = PSIL*BEG
CVV = PSIV*BEG
ENDIF
RETURN
END
F.15

C
C
C
C

C
C

SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV
SSCEV

INR105.AQUA.FORT(SSGIS)

SUBROUTINE SSGIS(T,SL,GL)
SSGIS RETURNS APPROXIMATED VALUES FOR THE ENTROPY AND FOR
THE GIBBS-FUNCTIOM OF THE SATURATED LIQUID
AS FUNCTIONS OF THE INPUT TEMPERATURE T.
SL = S.LIQUID/RGAS , GL = G.LIQUID/(RGAS*T)
94/06/10
IMPLICIT REAL*8(A-H,0-Z)
DIMENSION PSL(9),PGL(9)
PARAMETER(TC=647.126D0,SC=9.430DO,BR=0.25D0,BET=0.325D0)
DATA PSL/952.86211160-3,272.5494325D-3,-8.457375782D-0
=,44.576317480-0,-150.7441559D-0,311.7914429D-0,-391.8528748D-0
=,273.55296330-0,-82.2848053D-0/
DATA PGL/-2.569516966D-0,5.187876405D-0,64O.8677408D-3
=,1.3741062950-0,-18.018312510-0,68.533371980-0,-176.20248790-0
=,226.296896D-0,-130.4997179D-0/
IF(T .GE. TC)
THEN
SL = 0.D0
GL = 0.D0
RETURN
ENDIF
Y = (TC-T)/TC
ENTROPY
IF(T .LE. 620.D0)
THEN
LOW TEMPERATURES
W = SQRT(Y)
OMV = PSL(9)
DO 31 K = 8,1,-1
31
OMV = OMV*W+PSL(K)
ELSE
NEAR CRITICAL TEMPERATURES
BEG = BR*Y**BET
AV = -Y*(1.23383958D-0+Y*(1.656615363D-0-Y*Y*911.53758120-0))
OMV = 1.D0 - BEG + AV
ENDIF
SL = OMV*SC
GIBBS-FUNCTION
GL = PGL(9)
DO 71 K = 8,1,-1
71 GL = GL*Y+PGL(K)
RETURN
END

SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS
SSGIS

properties

99

F.16

C
C
C
C

C
C
C
C

100

INR105.AQUA.FORT(SSETA)

SUBROUTINE SSETA(T,ETL,ETV)
SSETA
SSETA RETURNS - FOR A GIVEN TEMPERATURE T - APPROXIMATED VALUES SSETA
OF THE DYNAMIC VISCOSITY
SSETA
IN THE SATURATED LIQUID ( ETL ) AND
SSETA
IN THE SATURATED VAPOR ( ETV ) IN PA*SEC.
94/12/01 SSETA
IMPLICIT REAL*8(A-H,0-Z)
SSETA
DIMENSION PUL(ll),PUV(11)
SSETA
PARAMETER(TC=647.126D0,ETC=3.95D-5,BET=O.325DO,BE=1.50D0)
SSETA
DATA PUL/945.8220190-3,-3.505670420-0,23.615067490-0
SSETA
=,-176.2217806D-0,960.5599634D-0,-3.533866457D+3,8.6O9716158D+3
SSETA
=, -13.6377187D+3,13.4359047ZD+3,-7.453116048D+3,1.77627241ZD+3/
SSETA
DATA PUV/973.3280423D-3,-4.061585251D-0,20.72O25593D-0
SSETA
=,-80.066165360-0,214.64856D-0,-384.61947190-0,433.0818384D-O
SSETA
=,-278.1O18786D-0,78.25010044D-O,0.DO,0.D0/
SSETA
DATA UN/1.DO/
SSETA
IF(T .GE. TC)
THEN
SSETA
ETL=ETC
SSETA
ETV=ETC
SSETA
RETURN
SSETA
ENDIF
SSETA
Y = (TC-T)/TC
SSETA
CHI = T/(T-TC)
SSETA
IF(T .LE. 620.DO)
THEN
SSETA
LOW TEMPERATURES
SSETA
W = SQRT(Y)
SSETA
FL = PUL(ll)
SSETA
FV = PUV(ll)
SSETA
DO 31 K = 10,1,-1
SSETA
FL = FL*W+PUL(K)
SSETA
31
FV = FV*W+PUV(K)
SSETA
VISCOSITY OF THE LIQUID ( IN PA*SEC )
SSETA
ETL=ETC/FL
SSETA
VISCOSITY OF THE VAPOR ( IN PA*SEC )
SSETA
ETV=ETC*FV
SSETA
NEAR CRITICAL TEMPERATURES
SSETA
ELSE
SSETA
NEAR CRITICAL TEMPERATURES
SSETA
BEG = BE*Y**BET
SSETA
AL = Y*(4.669845392D-0-Y*(19.58930391D-0-Y*Y*l.7686524320+3)) SSETA
ETL=ETC*( UN + BEG + AL )
SSETA
AV = Y*(4.262680597D-0-Y*(34.89896734D-O-Y*Y*2.4521O5565D+3)) SSETA
ETV=ETC*( UN - BEG + AV )
SSETA
ENDIF
SSETA
RETURN
SSETA
END
SSETA

aqua

F.17

INR105.AQUA.FORT(SSLAM)

SUBROUTINE SSLAM(T,XLL,XLV)
SSLAM RETURNS - FOR A GIVEN TEMPERATURE T - APPROXIMATED VALUES
OF THE THERMAL CONDUCTIVITY
IN THE SATURATED LIQUID ( XLL ) AND
IN THE SATURATED VAPOR ( XLV ) IN W/(M*K).
94/12/01
IMPLICIT REAL*8(A-H,0-Z)
DIMENSION PUL(9),PUV(9)
PARAMETER(TC=647.126D0,XLC=1.D+70,ALA=-0.50D0)
DATA PUL/397.2522830-3,1.3614300560-0,288.6579476D-3
=,-1.1371530880-0,-75.200164240-0,333.881230-0,-546.06324350-0
=,311.5755290-0,0.00/
DATA PUV/201.26002890-3,-2.5468813170-0,19.240730270-0
=,-79.8925815D-O,178.6322576D-0,-195.5137779D-0,62.O6051OllD-0
=,38.86696488D-0,-15.11624233D-0/
IF(T .GE. TC)
THEN
XLL=XLC
XLV=XLC
RETURN
ENDIF
Y=(TC-T)/TC
IF(T .LE. 620.DO)
THEN
C
LOW TEMPERATURES
XLL = PUL(9)
XLV = PUV(9)
DO 31 1=8,1,-1
XLL = XLL*Y+PUL(I)
31
XLV = XLV*Y+PUV(I)
ELSE
C
NEAR CRITICAL TEMPERATURES
BEG=Y**ALA
AL = 20.D-3 +Y*( 2.484618723D-0 -Y*( 31.160804O9D-0
-Y*( 421.0825394D-0 -Y*2390.60876D-0 )))
XLL=BEG*AL
AV = 20.D-3 +Y*( 722.1916099D-3 -Y*( 29.16989349D-0
-Y*( 495.5936588D-0 -Y*3169.252794D-0 )))
XLV=BEG*AV
ENDIF
RETURN
END

C
C
C
C

F.18

C
C
C

SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM
SSLAM

INR105.AQUA.FORT(DILE)

FUNCTION DILE(Y)
RETURNS AN ADDITIVE TERM FOR PSL(T) TO DESCRIBE THE PRESSURE
OF THE LIQUID SPINODAL ON A HGK-ISOTHERM.
94/07/12
DILE IS A FUNCTION OF THE SCALED TEMPERATURE Y=1-T/TC
DILE = (40.49363544D+0 -Y*(20.73773694D+3 -Y*(7.607260219D+6
= -Y*(l.7965206580+9 -Y*(258.928784714D+9 -Y*(22.71838331D+12
= -Y*(l.1820665870+15 -Y*(33.45912597D+15 -Y*396.44739160+15
= ))))))))*Y

DILE
DILE
DILE
DILE
DILE
DILE
DILE
DILE

properties

RETURN
END
F.19

C
C
C

F.20

C
C
C

F.21

C
C
C

102

DILE
DILE

INR105.AQUA.FORT(DIVE)

FUNCTION DIVE(Y)
RETURNS AN ADDITIVE TERM FOR PSV(T) TO DESCRIBE THE PRESSURE
OF THE VAPOR SPINODAL ON A HGK-ISOTHERM.
94/07/12
DIVE IS A FUNCTION OF THE SCALED TEMPERATURE Y=1-T/TC
DIVE = Y*(17.17830396D+0 -Y*(3.434969255D+3
= -Y*(448.7956073O0D+3 -Y*(3.808457011D+7 -Y*(1.646319316D+9
= -Y*2.719071374D+10)))))
RETURN
END

DIVE
DIVE
DIVE
DIVE
DIVE
DIVE
DIVE
DIVE
DIVE

INR105.AQUA.FORT(PLMAX)

FUNCTION PLMAX(T)
PLMAX
PLMAX RETURNS THE PRESSURE IN PA-S ON THE WHOLE ISOCHORE
PLMAX
RHO = 1200 KG/M**3
PLMAX
AS FUNCTION OF THE INPUT TEMPERATURE T
95/01/18 PLMAX
IMPLICIT REAL*8(A-H,0-Z)
PLMAX
IF(T .LE. 373.15D0)
THEN
PLMAX
PLMAX =
128.0317635D+9 -T*( 1.503427271D+9
PLMAX
-T*( 6.608885188D+6 -T*( 12.8308018OD+3 -T*9.3056828080-0 ))) PLMAX
ELSE IF(T .GT. 373.1500 .AND. T .LE. 647.126D0)
THEN
PLMAX
PLMAX =
1.121372093D+9 -T*( 6.278371391D+6
PLMAX
= -T*( 26.44577782D+3 -T*( 33.3647446OD-0 -T*14.81761478D-3 ))) PLMAX
ELSE IF(T .GT. 647.126D0)
THEN
PLMAX
PLMAX =
-731.6836907D+6 +T*( 6.597512847D+6 PLMAX
-T*( 7.O8407O94D+3
-T*( 5.7648468O6D-0 -T*( 3.188721412D-3 PLMAX
-T*( 1.193485372D-6 -T*( 2.946300976D-10 -T*( 4.575561580D-14PLMAX
-T*( 4.O40O03535D-18 -T*l.5439532330-22 ) ) ) ) ) ) ) )
PLMAX
ENDIF
PLMAX
RETURN
PLMAX
END
PLMAX
INR105.AQUA.FORT(P1200)

FUNCTION P800(T)
P80O RETURNS THE PRESSURE IN PA-S ON THE SUPERCRITICAL PART
OF THE ISOCHORE RHO = 800 KG/M**3
AS FUNCTION OF THE INPUT TEMPERATURE T
95/01/18
P80O =
-576.9907617D+6 +T*( 229.044132OD+3
= +T*( 3.275463692D+3 -T*( 4.331244582D-0 -T*( 3.0O8662103D-3
= -T*( 1.272178994D-6 -T*( 337.938642D-12 -T*( 55.O7102702D-15
= -T*( 5.03025311D-18 -T*197.1414663D-24 ) ) ) ) ) ) ) )
RETURN
END

aqua

P8O0
P80O
P80O
P800
P800
P800
P80O
P800
P80O
P8O0

F.22

C
C
C

F.23

C
C
C

F.24

C
C
C

INR105.AQUA.FORT(P600)

FUNCTION P60O(T)
P6O0 RETURNS THE PRESSURE IN PA-S ON THE SUPERCRITICAL PART
OF THE ISOCHORE RHO = 600 KG/M**3
AS FUNCTION OF THE INPUT TEMPERATURE T
95/01/18
P600 =
-193.5182531D+6 -T*( 662.0824295D+3
= -T*( 3.O41300733D+3 -T*( 3.331588396D-0 -T*( 2.091973967D-3
= -T*( 822.3881849D-9 -T*( 205.8600153D-12 -T*( 31.88132588D-15
= -T*( 2.784677333D-18 -T*104.87724680-24 ) ) ) ) ) ) ) )
RETURN
END

P60O
P600
P600
P600
P600
P600
P60O
P600
P60O
P600

INR105.AQUA.FORT(P400)

FUNCTION P4O0(T)
P400 RETURNS THE PRESSURE IN PA-S ON THE SUPERCRITICAL PART
OF THE ISOCHORE RHO = 400 KG/M**3
AS FUNCTION OF THE INPUT TEMPERATURE T
95/01/18
P400 =
-48.223915O0D+6 -T*( 534.0793594D+3
= -T*( 1.893391113D+3 -T*( 2.052518308D-0 -T*( 1.304520061D-3
= -T*( 521.2344512D-9 -T*( 132.5272444D-12 -T*( 20.80959374D-15
= -T*( 1.839373352D-18 -T* 69.98460931D-24 ) ) ) ) ) ) ) )
RETURN
END

P400
P400
P400
P400
P400
P400
P400
P400
P4O0
P400

INR105.AQUA.FORT(P322)

FUNCTION P322(T)
P322 RETURNS THE PRESSURE IN PA-S ON THE SUPERCRITICAL PART
OF THE CRITICAL ISOCHORE
AS FUNCTION OF THE INPUT TEMPERATURE T
95/01/18
P322 =
-115.3411242D+6 -T*( 14.61390831D+3
= -T*( 713.8479434D-0 -T*( 843.0259976D-3 -T*( 558.6511529D-6
= -T*( 228.9982666D-9 -T*( 59.25205508D-12 -T*( 9.423230731D-15
= -T*( 841.0373279D-21 -T*32.24390358D-24 ) ) ) ) ) ) ) )
RETURN
END

P322
P322
P322
P322
P322
P322
P322
P322
P322
P322

properties

103

F.25

C
C
C

104

INR105.AQUA.FORT(P250)

FUNCTION P250(T)
P250 RETURNS THE PRESSURE IN PA-S ON THE SUPERCRITICAL PART
OF THE ISOCHORE RHO = 250 KG/M**3
AS FUNCTION OF THE INPUT TEMPERATURE T
95/01/18
P250 = -161.604255D+6 +T*( 370.3861O90D+3 -T*( 183.5936O79D+0
= -T*( 93.96635527D-3 -T*( 30.07808886D-6 -T*( 5.819644183D-9
= -T*( 619.724735D-15 -T*27.81950727D-18 ) ) ) ) ) )
RETURN
END

aqua

P250
P250
P250
P250
P250
P250
P250
P250
P250

Appendix G. Secondary routines

The f o l l o w i n g r o u t i n e s e i t h e r o r g a n i z e t h e c a l c u l a t i o n of the t h e r m a l p r o p e r t i e s of the
water, or h e l p to find a d e n s i t y to a g i v e n p r e s s u r e .

G.1

INR105.AQUA.FORT(DGFIND)

C
C
C

SUBROUTINE DGFIND(T,Q,DX,IECCH)
DGFIND
DGFIND SEEKS A DENSITY DX (G/CM**3)
DGFIND
CORRESPONDING TO THE PRESSURE Q(MPA) AND
DGFIND
TO THE - SUPERCRITICAL - TEMPERATURE T (K).
94/12/06 DGFIND
IMPLICIT REAL*8(A-H 0-Z)
DGFIND
COMMON /TEMPO/ RT,B1,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI
DGFIND
COMMON /BASIF/ GB,SB,ZB,PB1T0,PB1R0,CVB
DGFIND
COMMON /RESEF/ GR,SR,ZR,PR1T0,PR1R0,CVR
DGFIND
REAL*8 FX(3),X(3)
DGFIND
PARAMETER(DC=0.322D0,DMAX=1.2D0,FINIS=5.D-5)
DGFIND
DATA PF/1.D-6/,ZERO/0.DO/
DGFIND
RANGE CONTROL
DGFIND
QSMAX=PLMAX(T)*PF
DGFIND
IF(Q .GT. QSMAX)
IECCH=+2
DGFIND
IF(IECCH .NE. 0)
GOTO 900
DGFIND
QSMIN=P600(T)*PF
DGFIND
IF(Q .LT. QSMIN)
GO TO 200
DGFIND
REGION OF HIGH DENSITIES
DGFIND
X(3)=DMAX
DGFIND
X(1)=0.6D0
DGFIND
X(2)=O.80DO
DGFIND
FX(2)=P800(T)*PF
DGFIND
SAM=2.D-1
DGFIND
GOTO 600
DGFIND
REGION OF MODERATE DENSITIES
DGFIND
X(3)=0.6D0
DGFIND
X(1)=DC
DGFIND
QSMAX=QSMIN
DGFIND
QSMIN=P322(T)*PF
DGFIND
IF(Q .LT. QSMIN)
GO TO 300
DGFIND
X(2)=0.40DO
DGFIND
FX(2)=P400(T)*PF
DGFIND
SAM=1.D-1
DGFIND
GOTO 600
DGFIND
REGION OF LOW DENSITIES
DGFIND
X(3)=DC
DGFIND
X(1)=ZER0
DGFIND
QSMAX=QSMIN
DGFIND
QSMIN=ZERO
DGFIND
IF(Q .LT. QSMIN)
IECCH=-2
DGFIND
IF(IECCH .NE. 0)
GOTO 900
DGFIND
X(2)=0.25D0
DGFIND
FX(2)=P250(T)*PF
DGFIND
SAM=5.D-2
DGFIND
FX(1)=QSMIN
DGFIND
5

100

200

300

600

secondaries

105

C
C
C
C
C
C

71

900
C4400
C6660
C6666
9000
9100
9300

106

FX(3)=QSMAX
WRITE(6,4400) QSMIN,QSMAX,SAM
FIRST DENSITY APPROXIMATIONS
LI=1
WRITE(6,6660)
IF(DX .LE. ZERO)
DX=DINSU(T,Q,FX,X,LI,IECCH)
IF(IECCH .NE. 0)
RETURN
REFINED DENSITY APPROXIMATIONS IN THE MANNER OF MR. I. NEWTON
WRITE(6,'( )')
ITERATING
LF=LI+19
DO 71 L=LI,LF
IF(DX .GT. DMAX)
THEN
DX=DMAX
IECCH=2
ENDIF
IF(DX .LE. ZERO)
DX=Q/RT
CALL BASE(T,DX,IECCH)
CALL RESID(T.DX)
ZP = ZB + ZR
QAX = ZP*DX*RT
DELQ=Q-QAX
EPS=ABS(DELQ/Q)
IF(EPS .LT. FINIS)
THEN
IECCH=0
RETURN
ENDIF
IF(IECCH .NE. 0)
GOTO 900
PIRO = PB1RO+PR1R0
DQD = P1R0*RT
DELR = DELQ/DQD
WRITE(6,6666) L,DX,QAX,DELQ,FINIS,DELR
IF(DELR .GT. ZERO)
DELR=MIN(DELR,SAM)
IF(DELR .LT. ZERO)
DELR=MAX(DELR,-SAM)
DX = DX + DELR
CONTINUE
IECCH=3
WRITE(6,9000)
RETURN
IF(IECCH .GT. 0)
WRITE(6,9100) Q
IF(IECCH .LT. 0)
WRITE(6,930O) Q
RETURN
FORMAT(8H QSMIN =,F14.9,2X,7HQSMAX =,F14.9,2X,5HSAM =,2X,F7.3)
FORMAT(3H L,5X,2HDX,12X,3HQAX,13X.4HDELQ,11X,3HQGR,7X,4HDELR)
F0RMAT(I3,F13.9,G18.9,G15.6,F9.5,F13.9)
F0RMAT(41H ITERATION FOR THE DENSITY VALUE FAILED ! )
F0RMAT(13H PRESSURE P =,G15.7,16H MPA.TOO HIGH ! )
F0RMAT(13H PRESSURE P =,G15.7,16H MPA TOO LOW ! )
END

aqua

DGFIND
DGFIND
DGFIND
DGFIND
DGFIND
DGFIND
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DGFIND
DGFIND
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DGFIND
DGFIND
DGFIND
DGFIND
DGFIND
DGFIND
DGFIND
DGFIND
DGFIND
DGFIND
DGFIND
DGFIND
DGFIND

G.2

C
C
C

INR105.AQUA.FORT(DLFIND)

SUBROUTINE DLFIND(T,Q,DX,IECCH)
DLFIND SEEKS A LIQUID DENSITY DX (G/CM**3)
CORRESPONDING TO THE PRESSURE Q(MPA) AND
TO THE - SUBCRITICAL - TEMPERATURE T (K).
94/12/08
IMPLICIT REAL*8(A-H,0-Z)
COMMON /TEMPO/ RT,B1,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI
COMMON /BASIF/ GB,SB,ZB,PB1T0,PB1R0,CVB
COMMON /RESEF/ GR.SR.ZR.PRITO.PRIRO.CVR
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RL1TO,RV1T0,RHSL,PSL
= RHSV,PSV,SL,GL,PL1RO,PL1T0,CVL,ETL,XLL,PV1RO,PV1T0,CVV,ETV XLV
REAL*8 FX(3),X(3)
PARAMETER(TC=647.126DO,TCN=646.0D0,DC=0.322D0)
PARAMETER(DMAX=1.2D0,FINIS=l.D-4)
DATA ZERO/0.D0/,PF/1.0-6/
CALL SUBCRI(T)
RANGE CONTROL
QSV = PSV*PF
QSL = PSL*PF
IF(T .GE. 635.D0)
THEN
Y-l-T/TC
QSL = QSL + DILE(Y)
QSV = QSV - DIVE(Y)
IF(QSL .GE. QSV) QSL=QSV-FINIS
ENDIF
QMAX = PLMAX(T)*PF
IF(Q .GT. QSV*1.3D0) SAM=2.D-1
IF(Q .LE. QSV*1.3D0) SAM=1.D-1
DMI=RHSL*l.D-3
DS0=(DMI-DC)*5.D-2
VICINITY OF THE CRITICAL POINT ?
IF(T .GE. TCN .AND. Q .LE. QSV*1.OO5D0)
DMI=DC*0.96500
WRITE(6,4400) QSL,QSV,DMI,SAM
IF(Q .GT. QMAX)
IECCH=+2
IF(Q .LT. QSL)
IECCH=-2
IF(IECCH .NE. 0)
GOTO 900
FIRST DENSITY APPROXIMATIONS
WRITE(6,6660)
LI=1
IF(DX .LE. ZERO)
THEN
X(3)=DMAX
FX(3)=QMAX
X(2)=DL
FX(2)=PS*PF
X(1)=DMI
FX(1)=QSL
DX=DINLI(T,Q,FX,X.LI,IECCH)
IF(IECCH .NE. 0) RETURN
ENDIF
REFINED DENSITY APPROXIMATIONS IN THE MANNER OF MR. I . NEWTON
WRITE(6,'( )')
LF=LI+19
DO 71 L=LI,LF
>

C
C

C
C

C
C

DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
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DLFIND
DLFIND
DLFIND
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DLFIND
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DLFIND
DLFIND
DLFIND
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DLFIND
DLFIND
DLFIND
DLFIND
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DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND

secondaries

107

IF(DX .GT. DMAX)

THEN
DX=DMAX
IECCH=2
ENDIF
IF(DX .LT. DMI)
DX=DMI
CALL BASE(T,DX,IECCH)
CALL RESID(T,DX)
ZP = ZB + ZR
QAX = ZP*DX*RT
DELQ=Q-QAX
EPS=ABS(DELQ)
IF(EPS .LT. FINIS)
THEN
IECCH=0
RETURN
ENDIF
IF(IECCH .GT. 0)
GO TO 900
PIRO = PB1R0+PR1R0
DQD = P1R0*RT
IF(DQD .LE. ZERO)
THEN
DX=DX+DS0
GO TO 71
ENDIF
DELR = DELQ/DQD
C
WRITE(6,6666) L,DX,QAX,DELQ,FINIS,DELR
IF(ABS(DELR) .LT. l.D-6)
THEN
IECCH=0
RETURN
ENDIF
IF(DELR .GT. ZERO)
DELR=MIN(DELR,SAM)
IF(DELR .LT. ZERO)
DELR=MAX(DELR,-SAM)
DX = DX + DELR
71 CONTINUE
IECCH=3
800 WRITE(6,900O)
RETURN
900 IF(IECCH .GT. 0)
WRITE(6,9100) Q
IF(IECCH .LT. 0)
WRITE(6,9300) Q
RETURN
C440O FORMAT(7H QSPL =,F14.9,3X,6HQSPV =,F14.9,3X,5HDMI =,3X,F10.6,3X
C
=,5HSAM =,F7.3 )
C6660 F0RMAT(3H L,5X,2HDX,12X,3HQAX,13X,4HDELQ,11X,3HQGR,7X,4HDELR)
C6666 F0RMAT(I3,F13.9,G18.9,G15.6,F9.5,F13.9)
9000 FORMAT(41H ITERATION FOR THE DENSITY VALUE FAILED !)
9100 F0RMAT(13H PRESSURE P =,G15.7,16H MPA TOO HIGH ! )
9300 FORMAT(13H PRESSURE P =,G15.7,16H MPA TOO LOW ! )
END

108

aqua

DLFIND
DLFIND
DLFIND
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DLFIND
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DLFIND
DLFIND
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DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND
DLFIND

G.3 INR105.AQUA.FORT( D VF IND)

C
C
C

SUBROUTINE DVFIND(T,Q,DX,IECCH)
DVFIND SEEKS A VAPOR DENSITY DX (G/CM**3)
CORRESPONDING TO THE PRESSURE Q(MPA) AND
TO THE - SUBCRITICAL - TEMPERATURE T (K).
94/12/08
IMPLICIT REAL*8(A-H,0-Z)
COMMON /TEMPO/ RT,B1,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI
COMMON /BASIF/ GB,SB,ZB,PB1TO,PB1R0,CVB
COMMON /RESEF/ GR,SR,ZR,PR1TO,PR1R0,CVR
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RL1T0,RV1T0,RHSL,PSL
=,RHSV,PSV SL,GL,PL1R0,PL1T0 CVL,ETL XLL PV1R0 PV1TO CVV,ETV,XLV
REAL*8 FX(3),X(3)
PARAMETER(TC=647.126DO,TCN=646.0DO,DC=0.322D0,FINIS=5.D-5)
DATA ZERO/0.D0/,PF/1.D-6/
CALL SUBCRI(T)
RANGE CONTROL
QSL = PSL*PF
QSV = PSV*PF
IF(Q .LT. QSL*0.95D0) SAM=1.D-1
IF(Q .GE. QSL*0.95D0) SAM=5.D-2
DMX=RHSV*l.D-3
VICINITY OF THE CRITICAL POINT ?
IF(T .GE. TCN .AND. Q .GE. QSL*0.9999D0) SAM=5.D-2
IF(T .GE. 635.DO)
THEN
Y=1-T/TC
QSV = QSV - DIVE(Y)
ENDIF
WRITE(6,4400) QSL,QSV,DMX,SAM
IF(Q .GT. QSV)
IECCH=+2
IF(Q .LT. ZERO)
IECCH=-2
IF(IECCH .NE. 0)
GO TO 900
FIRST DENSITY APPROXIMATIONS
WRITE(6,6660)
LI=1
IF(DX .LE. ZERO)
THEN
X(3)=DMX
FX(3)=QSV
X(2)=DV
FX(2)=PS*l.D-6
X(1)=ZER0
FX(1)=ZER0
DX=DINVA(T,Q,FX,X,LI,IECCH)
IF(IECCH .NE. 0) RETURN
ENDIF
REFINED DENSITY APPROXIMATIONS IN THE MANNER OF MR. I . NEWTON
WRITE(6,'( )' )
LF=LI+19
IF(DX .GT. DMX)
DX=DMX
DO 71 L=LI,LF
IF(DX .LE. ZERO)
DX=Q/RT
CALL BASE(T,DX,IECCH)
CALL RESID(T,DX)
ZP = ZB + ZR
>

C
C

C
C

>

>

DVFIND
DVFIND
DVFIND
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DVFIND
DVFIND
DVFIND
DVFIND
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DVFIND
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DVFIND
DVFIND
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DVFIND
DVFIND
DVFIND

secondaries

109

QAX = ZP*DX*RT
DELQ = Q-QAX
EPS=ABS(DELQ/Q)
IF(EPS .LT. FINIS)
THEN
IECCH=0
RETURN
ENDIF
IF(IECCH .NE. O)
GO TO 900
PIRO = PB1R0+PR1R0
DQD = P1R0*RT
IF(DQD .LE. ZERO)
THEN
IF(L .EQ. LI)
THEN
DX=DMX
ELSE
DX=DV*0.9D0
ENDIF
GO TO 71
ENDIF
DELR = DELQ/DQD
C
WRITE(6,6666) L,DX,QAX,DELQ,FINIS,DELR
IF(DELR .GT. ZERO)
DELR=MIN(DELR,SAM)
IF(DELR .LT. ZERO)
DELR=MAX(DELR,-SAM)
DX = DX + DELR
IF(DX .GT. DMX)
THEN
DX=DMX
IECCH=+2
ENDIF
71 CONTINUE
IECCH=3
WRITE(6,900O)
RETURN
900 IF(IECCH .GT. 0)
WRITE(6,9100) Q
IF(IECCH .LT. 0)
WRITE(6,9300) Q
RETURN
C4400 F0RMAT(7H QSPL =,F14.9,3X,6HQSPV =,F14.9,3X,5HDMX =,3X,F10.6,3X
C
=,5HSAM =,F7.3 )
C6660 FORMAT(3H L,5X,2HDX,12X,3HQAX,13X,4HDELQ,11X,3HQGR,7X,4HDELR)
C6666 F0RMAT(I3,F13.9,G18.9,G15.6,F9.5,F13.9)
9000 F0RMAT(41H ITERATION FOR THE DENSITY VALUE FAILED ! )
9100 F0RMAT(13H PRESSURE P =,G15.7,16H MPA TOO HIGH ! )
9300 FORMAT(13H PRESSURE P =,G15.7,16H MPA TOO LOW ! )
END
G.4

C
C
C

110

DVFIND
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DVFIND
DVFIND
DVFIND
DVFIND

INR105.AQUA.FORT(DINSU)

FUNCTION DINSU(T,Q,FX,X,IT,IECCH)
DINSU IS AN INITAL DENSITY FOR THE ROUTINE DSFIND.
DINSU IS THE ROOT OF A 2. GRADE EQUATION Q.IS(DX)-Q = 0.
PRESSURES ARE IN MPA-S, DENSITIES IN G/CM**3-S.
93/09/03
IMPLICIT REAL*8(A-H,0-Z)
COMMON /TEMPO/ RT,B1,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI
COMMON /BASIF/ GB,SB,ZB,PT0B,PROB,CVB
COMMON /RESEF/ GR,SR,ZR,PTOR,PROR,CVR

aqua

DINSU
DINSU
DINSU
DINSU
DINSU
DINSU
DINSU
DINSU

C
C

50

52

C
900
6666
999

G.5

C
C
C

C
C

REAL*8 FX(3),X(3)
PARAMETER(TC2=648.126DO,DUG=0.122D0,DOG=0.522DO,DMAX=1.2DO)
DATA ZERO/O.DO/
FINIS-l.D-2
ITERATING
QUADRATIC INTERPOLATION TO THE POINTS 1 2 3
CALL QUADO(FX,X,Q,DX,JECCH)
IF(DX .GT. DMAX)
DX=DMAX
IF(DX .LE. ZERO)
DX=l.D-6
SELECTING THE NEW PILLARS
IF(IT .EQ. 1)
THEN
IF(T .LT. TC2 .AND.
(DX .GT. DUG .AND. DX .LT. DOG))
FINIS-l.D-3
ELSE
IF(IT .GT. 3 .OR. EPS .LT. FINIS)
GO TO 900
ENDIF
KI=0
CALL SORBET(KI,FX,X,Q,DX)
IF(KI .EQ. 2 .OR. JECCH .NE. 0)
GO TO 900
PRESSURE AT THE NEW DENSITY VALUE
DELR=DX-DXA
IF(ABS(DELR) .LT. l.D-4)
GO TO 900
CALL BASE(T,DX,IECCH)
CALL RESID(T.DX)
ZP = ZB + ZR
FX(KI)= ZP*DX*RT
DELQ=FX(KI)-Q
EPS=ABS(DELQ)
DXA=DX
WRITE(6,6666) IT,DX,FX(KI),DELQ,FINIS,DELR
IT=IT+1
GO TO 50
DINSU=DX
F0RMAT(I3,F13.9,G18.9,G15.6,F9.5,F13.9)
RETURN
END

DINSU
DINSU
DINSU
DINSU
DINSU
DINSU
DINSU
DINSU
DINSU
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DINSU
DINSU
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DINSU
DINSU
DINSU
DINSU
DINSU
DINSU
DINSU
DINSU
DINSU

INR105.AQUA.FORT(DINLI)

FUNCTION DINLI(T,Q,FX,X,IT,IECCH)
DINLI IS AN INITAL DENSITY FOR THE ROUTINE DLFIND.
DINLI IS THE ROOT OF A 2. GRADE EQUATION Q.IS(DX)-Q = 0
PRESSURES ARE IN MPA-S, DENSITIES IN G/CM**3-S.
93/09/03
IMPLICIT REAL*8(A-H,0-Z)
COMMON /TEMPO/ RT,B1,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI
COMMON /BASIF/ GB,SB,ZB,PT0B,PROB,CVB
COMMON /RESEF/ GR,SR,ZR,PT0R,PROR,CVR
REAL*8 FX(3),X(3)
PARAMETER(TC1=646.126D0,DOG=0.522D0)
FINIS-l.D-2
DMX=X(3)
ITERATING
QUADRATIC INTERPOLATION TO THE POINTS 1 2 3

DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI

secondaries

111

50 CALL QUADO(FX,X,Q,DX,JECCH)
IF(DX .GT. DMX)
DX=DMX
C
SELECTING THE NEW PILLARS
IF(IT .EQ. 1)
THEN
IF(T .GT. TCI)
THEN
KI=1
IF(DX .LT. DOG)
ELSE
KI=0
ENDIF
ENDIF
CALL SORBET(KI,FX,X,Q,DX)
IF(KI .EQ. 2 .OR. JECCH .NE. 0)
IF(IT .LE. 1)
GO TO 52
IF(IT .GT. 3 .OR. EPS .LT. FINIS)
C
PRESSURE AT THE NEW DENSITY VALUE
52 DELR=DX-DXA
IF(ABS(DELR) .LT. l.D-4)
CALL BASE(T,DX,IECCH)
CALL RESID(T.DX)
ZP = ZB + ZR
FX(KI)= ZP*DX*RT
DELQ=FX(KI)-Q
EPS=ABS(DELQ)
DXA=DX
C
WRITE(6,6666) IT,DX,FX(KI),DELQ,FINIS,DELR
IT=IT+1
GO TO 50
900 DINLI=DX
6666 F0RMAT(I3,F13.9,G18.9,G15.6,F9.5,F13.9)
RETURN
END
G.6

FINIS=l.D-3

GO TO 900
GO TO 900
GO TO 900

INR105.AQUA.FORT(DINVA)

FUNCTION DINVA(T,Q,FX,X,IT,IECCH)
DINVA IS AN INITAL DENSITY FOR THE ROUTINE DVFIND.
DINVA IS THE ROOT OF A 2. GRADE EQUATION Q.IS(DX)-Q = 0.
PRESSURES ARE IN MPA-S, DENSITIES IN G/CM**3-S.
93/09/17
IMPLICIT REAL*8(A-H,0-Z)
COMMON /TEMPO/ RT,B1,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI
COMMON /BASIF/ GB,SB,ZB,PT0B,PR0B,CVB
COMMON /RESEF/ GR,SR,ZR,PT0R,PROR,CVR
REAL*8 FX(3),X(3)
PARAMETER(TC1=646.126D0,DUG=0.122DG)
FINIS=l.D-2
C
ITERATING
C
QUADRATIC INTERPOLATION TO THE POINTS 1 2 3
50 CALL QUADO(FX,X,Q,DX,JECCH)
IF(DX .LT. 0.D0)
DX=l.D-6
C
SELECTING THE NEW PILLARS
IF(IT .EQ. 1)
THEN
IF(T .GT. TCI)
THEN
C
C
C

112

DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI
DINLI

aqua

DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA

ELSE

52

C
900
6666
999

G.7

KI=3
IF(DX .GT. DUG)

DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA
DINVA

FINIS=l.D-3

KI=0
ENDIF
ENDIF
CALL SORBET(KI,FX,X,Q,DX)
IF(KI .EQ. 2 .OR. JECCH .NE. O)
GO TO 900
IF(IT .LE. 1)
GO TO 52
IF(IT .GT. 3 .OR. EPS .LT. FINIS)
GO TO 900
PRESSURE AT THE NEW DENSITY VALUE
DELR=DX-DXA
IF(ABS(DELR) .LT. l.D-4)
GO TO 900
CALL BASE(T,DX,IECCH)
CALL RESID(T,DX)
ZP = ZB + ZR
FX(KI)= ZP*DX*RT
DELQ=FX(KI)-Q
EPS=ABS(DELQ/Q)
DXA=DX
WRITE(6,6666) IT,DX,FX(KI),DELQ,FINIS,DELR
IT=IT+1
GO TO 50
DINVA=DX
F0RMAT(I3,F13.9,G18.9,G15.6,F9.5,F13.9)
RETURN
END
INR105.AQUA.FORT(QUADO)

SUBROUTINE QUADO(FX,X,FXS,XS,JECCH)
SEARCHES AN XS WITH THE PROPERTY FX(XS) = FXS
93/09/07
BY FITTING A QUADRATIC POLYNOMIAL TO THE POINTS FX(1) - FX(3)
IMPLICIT REAL*8(A-H,0-Z)
REAL*8 FX(3),X(3),FY(3)
DATA ZERO,UN/0.DO,1.DO/
CALL MONIKA(FX,X,JECCH)
IF(JECCH .NE. 0)
RETURN
A=ZERO
B=ZERO
C=ZERO
IECCH=0
THE COEFFICIENTS OF THE POLYNOMIAL
DO 21 K=l,3
FY(K)=FX(K)-FXS
DO 31 1=1,3
J=I+1
IF(J .GT. 3)
J=J-3
XD=X(J)-X(I)
K=J+1
IF(K .GT. 3)
K=K-3
YXD= FY(K)*XD
YX2=-YXD*(X(J)+X(I))

QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO

secondaries

113

YX3= YXD*X(J)*X(I)
A=A+YXD
B=B+YX2
C=C+YX3
CONTINUE
THE ROOTS OF THE POLYNOMIAL
XG=-B/(A+A)
US=UN-C/(A*XG*XG)
IF(US .LE. ZERO)
THEN
XS=XG
RETURN
ENDIF
W=SQRT(US)
XA=XG*(UN+W)
XB=XG*(UN-W)
THE APPROPRIATE ROOT
XM=(X(1)+X(2)+X(3))/3.D0
XS=XA
IF(ABS(XB-XM) .LT. ABS(XA-XM))
RETURN
END
G.8

XS=XB

INR105.AQUA.FORT(MONIKA)

SUBROUTINE MONIKA(FX,X,JECCH)
ARRANGES THE POINTS FX,X TO A SET WITH
MONOTONOUS ABSCISSAS
IMPLICIT REAL*8(A-H,0-Z)
DIMENSION X(3),FX(3),W(3),FW(3)
IF((X(1) .EQ. X(2)) .OR. (X(2) .EQ. X(3)) .OR.
(X(l) .EQ. X(3)))
THEN
JECCH = 1
RETURN
ENDIF
U=MIN(X(1),X(2),X(3))
IF(U .EQ. X ( l ) )
1=1
IF(U .EQ. X(2))
1=2
IF(U .EQ. X ( 3 ) j
1=3
J=I+1
IF(J .GT. 3)
J=J-3
K=J+1
K=K-3
IF(K .GT. 3)
V=MIN(X(J),X(K))
IF(V .EQ. X ( J ) )
GO TO 90
JF=J
J=K
K=JF
GO TO 92
RETURN
IF(I .EQ. 1)
W(1)=X(I)
FW(1)=FX(I)
W(2)=X(J)
FW(2)=FX(J)
114

QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO
QUADO

aqua

MONIKA
MONIKA
93/09/07 MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA

W(3)=X(K)
FW(3)=FX(K)
DO 91 N=l,3
X(N)=W(N)
91 FX(N)=FW(N)
END
G.9

INR105.AQUA.FORT(SORBET)

C
C
C
C
C
C

C
C

10

20

30

MONIKA
MONIKA
MONIKA
MONIKA
MONIKA
MONIKA

50

60

SUBROUTINE SORBET(KI,FX,X,FXS,XS)
REPLACES ONE OF THE BOUNDARY POINTS X ( l ) OR X(3) WITH XS.
NORMALLY THE POINT WITH THE LARGER (FXS-FX) WILL BE REPLACED.
IF 2 OF THE 3 POINTS ARE VERY NEAR TO EACH OTHER
( X(K)/X(L) < 1.05 ) , THEN AT FIRST ONE OF THESE POINTS WELL BE
REPLACED.
93/07/09
IMPLICIT REAL*8(A-H,0-Z)
DIMENSION X(3),FX(3)

IF(KI .NE. 0)
GO TO 10
KI=1
D3=ABS(FX(3)-FXS)
D1=ABS(FX(1)-FXS)
IF(D3 .GT. Dl)
KI=3
SORTING
FIRST POINT DISCARDED
IF(KI .EQ. 3)
GO TO 50
IF(XS .GT. X(2))
GO TO 20
X(KI) = XS
FX(KI) = FXS
GO TO 90
X ( l ) = X(2)
FX(1) = FX(2)
IF(XS .GT. X(3))
GO TO 30
KI=2
X(KI) = XS
FX(KI) = FXS
GO TO 90
X(2) = X(3)
FX(2) = FX(3)
KI=3
X(KI) = XS
FX(KI) = FXS
GO TO 90
LAST POINT DISCARDED
IF(XS .LT. X(2))
GO TO 60
X(KI) = XS
FX(KI) = FXS
GO TO 90
X(3) = X(2)
FX(3) = FX(2)
IF(XS .LT. X ( l ) )
GO TO 70
KI-2
X(KI) = XS

SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET

secondaries

115

FX(KI) = FXS
GO TO 90
70 X(2) = X(l)
FX(2) = FX(1)
KI=1
X(KI) = XS
FX(KI) = FXS
90 RETURN
END
G.10

INR105.AQUA.FORT(TCORR)

SUBROUTINE TCORR(TS,Q,DLK,DVK,IECCH)
RETURNS FOR A GIVEN Q ( IN MPA ) THE CORRESPONDING SATURATION
TEMPERATURE TS AND THE SATURATED DENSITIES
DLK, DVK ( IN G/CM**3 ) .
94/11/30
IMPLICIT REAL*8 (A-H.O-Z)
COMMON /SATIF / PS,TPSIT,TTPS2T,DL,DV,RL1T0,RV1T0,RHSL,PSL
=,RHSV,PSV,SL,GL,PL1R0,PL1T0,CVL,ETL,XLL,PV1R0,PVITO,CVV,ETV,XLV
COMMON /TCOFF / DQ,DTS,QC
PARAMETER(TCN=646.OD0,QCN=21.83815DO,FINIS=l.D-5)
C
FIRST APPROXIMATE VALUES OF TS AND DTS/DQ
P=Q*1.D6
CALL TS1(P,TS,TS1P,IECCH)
TS1Q=TS1P*1.D6
IF(IECCH .NE. 0)
RETURN
C
ITERATING FOR CORRECTED TEMPERATURES
DO 22 1=1,5
CALL ONLYT(TS,IECCH)
IF(IECCH .NE. 0)
RETURN
CALL SUBCRI(TS)
DLK=DL
DVK=DV
QC=Q
IF(Q .GT. QCN .OR. TS .GE. TCN)
RETURN
CALL GPCORR(TS,QC,DLK,DVK,IECCH)
IF(IECCH .NE. 0)
RETURN
DQ=Q-QC
DTS=DQ*TS1Q
IF(ABS(DTS) .LT. FINIS)
RETURN
22 TS = TS+DTS
RETURN
END

C
C
C

G.11

C
C
C

116

SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET
SORBET

TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR
TCORR

INR105.AQUA.FORT(GPCORR)

SUBROUTINE GPCORR(T,Q,DLK,DVK,IECCH)
RETURNS FOR A GIVEN T THE SATURATED PRESSURE Q ( IN MPA )
AND THE SATURATED DENSITIES DLK, DVK ( IN G/CM**3 )
CORRECTED FOR G,L = G,V AND Q,L = Q,V
94/11/30
IMPLICIT REAL*8(A-H,0-Z)
COMMON /TEMPO/ RT,B1,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI
aqua

GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR

COMMON /BASIF/ GB,SB,ZB,PB1T0,PB1RO,CVB

COMMON /RESEF/ GR,SR,ZR,PR1T0,PR1R0,CVR
COMMON /GPCOF/ ZL,ZV,GL,GV
PARAMETER(TCN=646.0D0,FINIS=l.D-7)
DO 55 K=l,10
C
SATURATED LIQUID STATE
CALL BASE(T,DLK,IECCH)
CALL RESID(T,DLK)
ZL = ZB + ZR
GL = GB + GR
PR0L = PB1R0+PR1R0
C
SATURATED VAPOR STATE
CALL BASE(T,DVK,IECCH)
CALL RESID(T.DVK)
ZV = ZB + ZR
GV = GB + GR
PROV = PB1R0+PR1R0
Q=RT*(ZV*DVK+ZL*DLK)*5.D-1
IF(T .GE. TCN)
RETURN
C
DEVIATIONS AND CORRECTIONS
DD=DLK-DVK
DELG=GL-GV
CL=DVK*(DELG+ZV)-DLK*ZL
CV=DLK*(DELG-ZL)+DVK*ZV
CXL=CL*DLK/(DD*PROL)
CXV=CV*DVK/(DD*PROV)
IF(ABS(CXL) .LT. FINIS)
DLK=DLK+CXL
55 DVK=DVK+CXV
RETURN
END
12

C
C
C
C
C
C
C
C

C
C
C
C

GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR
GPCORR

RETURN

INR105.AQUA.FORT(SUBCRI)

SUBROUTINE SUBCRI(T)
SUBCRI CALCULATES DENSITIES, PRESSURES AND DERIVATIVES
OF THE PRESSURES IN THE SATURATED STATES
DL DV
G/CM**3
PS TPSIT
TTPS2T
PASCAL
AS WELL AS THE DENSITIES AND PRESSURES OF THE SPINODALS
RHSL RHSV
KG/M**3
PSL PSV
PASCAL
AS FUNCTIONS OF THE TEMPERATURE T.
94/12/01
IMPLICIT REAL*8(A-H,0-Z)
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RL1TO,RV1T0,RHSL,PSL
=,RHSV,PSV,SL,GL,PL1R0,PL1T0,CVL,ETL,XLL,PV1RO,PV1T0,CVV,ETV,XLV
APPROXIMATION TO THE VAPOR PRESSURE
CALL SSP(T)
APPROXIMATIONS TO THE SATURATED DENSITIES
CALL SSRHO(T)
APPROXIMATIONS TO THE
DENSITIES AND PRESSURES ON THE LIQUID AND VAPOR SPINODAL
CALL SPIRHO(T)

SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI
SUBCRI

secondaries

117

C--

G.73

CALL SPIP(T)

RETURN
END

SUBCRI
SUBCRI
SUBCRI
SUBCRI

INR105.AQUA.FORT(TWOPHA)

TWOPHA
TWOPHA
TWOPHA
TWOPHA
TWOPHA
TWOPHA
TWOPHA
C
TWOPHA
IF(T .LE. TC)
GO TO 10
TWOPHA
WRITE(6,100O) T
TWOPHA
T=-1.D0
TWOPHA
RETURN
TWOPHA
C
HEAT CAPACITY OF THE SATURATED STATES CVL CVV
TWOPHA
10 CALL SSCEV(T,CVL,CVV)
TWOPHA
C
DENSITY DERIVATIVE OF THE SATURATED STATES PLR10 PVR10
TWOPHA
CALL SSPER(T)
TWOPHA
C
-TEMPERATURE DERIVATIVE OF THE SATURATED STATES PL1T0 PVITO
TWOPHA
CALL SSPET(T,PL1T0,PVITO)
TWOPHA
C
ENTROPY AND GIBBS FUNCION OF THE SATURATED LIQUID SL GL
TWOPHA
CALL SSGIS(T,SL,GL)
TWOPHA
C
VISCOSITY OF THE SATURATED STATES ETL ETV

TWOPHA
CALL SSETA(T,ETL,ETV)
TWOPHA
C
THERMAL CONDUCTIVITY OF THE SATURATED STATES XLL XLV TWOPHA
CALL SSLAM(T,XLL,XLV)
TWOPHA
C

- TWOPHA
1000 FORMAT(16H TEMPERATURE T =,F10.4,22H K IS SUPERCRITICAL ! /)
TWOPHA
RETURN
TWOPHA
END
TWOPHA
C
C

G.14

C
C
C
C
C
C
C
C

118

SUBROUTINE TWOPHA(T)
THIS SUBROUTINE CALCULATES DIFFERENT SATURATION PROPERTIES
IN S.I. UNITS
94/11/30
IMPLICIT REAL*8(A-H,0-Z)
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RL1T0,RV1T0,RHSL,PSL
=,RHSV,PSV,SL,GL,PL1R0.PL1T0,CVL,ETL,XLL,PV1R0,PVITO,CVV,ETV,XLV
PARAMETER(TC=647.126D0)

INR105.AQUA.FORT(REDUK)

SUBROUTINE REDUK(T,D,IECCH)
CALCULATES THERMAL PROPERTIES OF THE WATER
IN REDUCED ( DIMENSIONLESS ) UNITS
IN THE LIQUID, VAPOR AND GAS STATES
D : DENSITY IN G/CM**3 , RH : IN KG/M**3
94/12/08
R1TO : REDUCED DENSITY DERIVATIVE = (T/RH)*(DRH/DT)
P1TO, PIRO : REDUCED DERIVATIVES OF THE PRESSURE
HO , SO : REDUCED ENTHALPY RESP. ENTROPY , CPC : CP/CV
ETA , XLMB : VISCOSITY RESP. THERMAL CONDUCTIVITY
IMPLICIT REAL*8(A-H,0-Z)
COMMON /AKONST/ WM,TC,DC,GASCON,Gl,G2,GF,TZ,UREF,SREF,TL0W
COMMON /TEMPO/ RT,B1,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI
COMMON /BASIF/ GB,SB,ZB,PB1TO,PB1R0,CVB
COMMON /RESEF/ GR,SR,ZR,PR1T0,PR1R0,CVR
aqua

REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK

COMMON /REDUF/ G0,SO,Z.P1T0,PIRO,CV0,CPO,ETA,XLMB,R1T0,CPC,H0

PARAMETER(RGAS=4.61522D+2)
DATA FNI/l.D+70/
C
CALL BASE(T,D,IECCH)
IF(IECCH .NE. 0)
RETURN
CALL RESID(T,D)
200 Z = ZB + ZR
P1T0 = PR1T0 + PB1T0
PIRO = PR1R0 + PBIRO
SO = SB + SR + Sl - SREF
G0 = GB + GR + Gl - 1.D0 - UREF/T + SREF
CVO = CVB + CVR + CVI
IF(P1R0 .EQ. 0.DO)
THEN
R1T0 = -FNI
CPO = FNI
CPC = FNI
ELSE
R1T0 = -P1T0/P1R0
CPO = CV0-P1T0*R1TO
CPC = CP0/CV0
ENDIF
900 HO = SO + GO
RH=D*1.D3
CALL TRANSP(T,RH,PIRO,P1TO,ETA,XLMB)
C

RETURN
END
G.15

C
C
C
C
C
C
C
C
C

REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK
REDUK

INR105.AQUA.FORT(REDUKE)

SUBROUTINE REDUKE(T,D,IECCH)
CALCULATES THERMAL PROPERTIES OF THE WATER
IN REDUCED ( DIMENSIONLESS ) UNITS
MIXED STATE INCLUDED
D : DENSITY IN G/CM**3 , RH : IN KG/M**3
94/12/08
R1T0 : REDUCED DENSITY DERIVATIVE = (T/RHO)*(DRO/DT)
P1T0, PIRO : REDUCED DERIVATIVES OF THE PRESSURE
HO , SO : REDUCED ENTHALPY RESP. ENTROPY, CPC : CP/CV
ETA , XLMB : VISCOSITY RESP. THERMAL CONDUCTIVITY
VQ : VAPOR QUALITY
IMPLICIT REAL*8(A-H,0-Z)
COMMON /AKONST/ WM.TC,DC,GASCON,G1,G2,GF,TZ,UREF,SREF,TL0W
COMMON /TEMPO/ RT.Bl,B2,B1T,B2T,B1TT,B2TT,TV,GI,SI,CVI
COMMON /BASIF/ GB,SB,ZB,PB1T0,PB1R0,CVB
COMMON /RESEF/ GR,SR,ZR,PR1T0,PR1R0,CVR
COMMON /REDUF/ G0,SO,Z,P1T0.PIRO,CVO,CPO,ETA,XLMB,R1T0,CPC,HO,VQ
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RL1TO,RV1T0,RHSL,PSL
=,RHSV,PSV,SL,GL,PL1R0,PL1T0,CVL,ETL,XLL,PV1R0,PVITO,CVV,ETV,XLV
PARAMETER(RGAS=4.61522D+2)
DATA ZERO/0.D0/.FNI/1.0+70/,UN/1.D0/
CALL BASE(T,D,IECCH)

REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE

secondaries

119

IF(IECCH .NE. 0)
RETURN
CALL RESID(T.D)
RH=D*1.D3
IF(T .GE. TC)
GO TO 200
RDY = (D-DV)/(DL-DV)
IF(D .GT. DL)
THEN
VQ = ZERO
ELSEIF(D .LT. DV) THEN
VQ = UN
E L S E

VQ = (UN-RDY)*DV/D
ENDIF
IF(RH .LT. RHSV .OR. RH .GT. RHSL)
GO TO 200
C
TWO PHASED MIXTURE100 CALL TWOPHA(T)
RGAT=RGAS*T
R0T=RGAT*D*1.D3
R0TL=RGAT*DL*1.D+3
DIFF= UN - D/DL
X = RDY
IF(X .GT. ZERO .AND. X .LT. UN)
= X = DEXP(DLOG(RDY)/3.D0)
PIRO = ZERO
Z = PS/ROT
P1T0 = TPS1T/R0T
SO = SL+DIFF*P1T0
G0 = GL
DCVS = RL1TO*RL1T0*PL1RO
AU = TTPS2T/R0T
CVO = CVL + DCVS + DIFF*AU
R1T0 = -FNI
CPO = FNI
CPC = FNI
ETAR=(UN-X)/ETV + X/(ETV + X*X*(ETL-ETV))
XLAR=(UN-X)/XLV + X/(XLV + X*X*(XLL-XLV))
ETA = UN/ETAR
XLMB = UN/XLAR
GO TO 900
C
LIQID, VAPOR OR SUPERCRITICAL REGIONS200 PIRO = PR1R0 + PB1R0
Z = ZB + ZR
PITO = PR1T0 + PB1T0
SO = SB + SR + S l - SREF
G0 = GB + GR + Gl - UN - UREF/T + SREF
CVO = CVB + CVR + CVI
IFfPIRO .EQ. O.DO)
THEN
R1T0 = -FNI
CPO = FNI
CPC = FNI
E L S E

R1T0 = -PITO/PIRO
CPO = CV0-P1T0*R1TO
CPC = CPO/CV0
ENDIF

120

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REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
- REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE

CALL TRANSP(T,RH,PIRO,P1T0,ETA,XLMB)

900 HO = SO + GO
CRETURN
END
G.16

REDUKE
REDUKE
REDUKE
REDUKE
REDUKE
REDUKE

INR105.AQUA.FORT(HYDOR)

SUBROUTINE HYDOR(T,RH,IECCH)
CALCULATES THERMAL PROPERTIES OF WASSER
S G H HIP U1R CV CP P PIT P1R RIT R1P
ETA XLMB SRFTS P1RS VS PRN VQ
AS FUNCTIONS OF THE TEMPERATURE, T AND THE DENSITY, RH
ALL PROPERTIES ARE IN S.I. UNITS
94/12/08
IMPLICIT REAL*8(A-H,0-Z)
COMMON /REDUF/ G0,SO,Z,P1T0,P1R0,CV0,CP0,ET,XLB,R1TO,CPC,H0,VQ1
COMMON /HYDUF/ S,G,H,H1P,U1R,CV,CP,P,P1T,P1R,R1T,R1P
=,ETA,XLMB,SRFTS,P1RS,VS,PRN,V,VQ
PARAMETER(TC=647.126D0,RGAS=4.61522D+2)
DATA TA/0.D0/,ZERO/O.D0/,UN/1.D0/
IF(RH .LE. ZERO)
THEN
WRITE(6,9100) RH
IECCH = 5
RETURN
ENDIF
100 D=RH*lD-3
V=UN/RH
C
VAPOR, LIQUID OR GAS STATE
200 IF(T .EQ. TA)
GO TO 210
ROT=T*RGAS
CALL ONLYT(T,IECCH)
IF(IECCH .NE. 0)
RETURN
SRFTS=ZERO
IF(T .GE. TC)
GO TO 210
SRFTS=SIGMA(T)
CALL SUBCRI(T)
210 CALL REDUKE(T,D,IECCH)
IF(IECCH .NE. 0)
RETURN
VQ=VQ1
G=G0*ROT
H=H0*ROT
S=S0*RGAS
CP=CPO*RGAS
CV=CVO*RGAS
P1R=P1R0*ROT
P1T=P1T0*RGAS*RH
IF(P1R0 .GT. ZERO)
THEN
P1RS=CPC*P1R
R1P=UN/P1R
ELSE
P1RS=(P1T0*P1T0/CV0)*ROT
R1P=-R1T0/R0T
C
C
C
C
C

HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR

secondaries

ENDIF
U1R=(Z-P1T0)*V*ROT
H1P=(UN+R1T0)*V
R1T=(RH/T)*R1T0
VS=SQRT(P1RS)
P=Z*ROT*RH
ETA=ET
XLMB=XLB
PRN=CP*ETA/XLMB
999 TA=T
RETURN
9100 FORMAT(13H DENSITY RH =,G15.6,20H KG/M**3 TOO LOW ! /)
END

122

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HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR
HYDOR

Appendix H. User-Interfaces
The f o l l o w i n g p a g e s list the p r o g r a m s , w h i c h a r e n e e d e d d i r e c t l y by the u s e r s to c a l c u late the w a t e r p r o p e r t i e s .

H.1

C
C

INR105.AQUA.FORT(WATER)

PROGRAM WATER
CALCULATES THERMAL PROPERTIES OF WATER AS FUNCTIONS
OF TWO VARIABLES : (T.RHO) OR (T,P)
94/12/09
IMPLICIT REAL*8(A-H,0-Z)
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RL1T0,RV1T0,RHSL,PSL
=,RHSV,PSV,SL,GL,PL1R0,PL1TO,CVL,ETL,XLL,PV1R0.PV1T0,CVV,ETV,XLV
COMMON /HYDUF/ S,G,H,H1P,U1R,CV,CP,P,P1T,P1R,R1T,R1P
=,ETA,XLMB,SRFTS,P1RS.VS,PRN,V,XI
PARAMETER(TC=647.126D0,FR=1.D+3,FK=1.D-3,FM=1.D-6)
DATA ZERO/0.DO/,IMO/0/,QIS,T,RHI/O.101325DO,373.15D0,958.4467D0/
WRITE(6,1001)
WRITE(6,1002)
WRITE(6,1003)
100 WRITE(6,1050) T
READ(5,*) T
IF(T .LE. ZERO)
GO TO 999
200 WRITE(6,1100)
READ(5,*) IMO
IF(IM0 .LE. 0)
GO TO 100
400 CALL PG3277
IF(IM0 .EQ. 1)
GO TO 600
500 WRITE(6,1200) QIS
READ(5,*) QIS
IF(QIS .EQ. ZERO)
GO TO 200
DX=ZERO
IECCH=0
CALL 0NLYT(T,IECCH)
IF(IECCH .NE. 0)
GO TO 500
IF(T .LT. TC)
THEN
CALL SUBCRI(T)
WRITE(6,1300)
READ(5,*)
ISTA
IF(ISTA .EQ. 1) THEN
CALL DLFIND(T,QIS,DX,IECCH)
IF(IECCH .EQ. 0)
GO TO 700
WRITE(6,93O0)
ELSEIF(ISTA .EQ. 2)
THEN
CALL DVFIND(T,QIS,DX,IECCH)
IF(IECCH .EQ. O .AND. DX .GT. ZERO)
GO TO 700
WRITE(6,9400)
ENDIF
ELSE
CALL DGFIND(T,QIS,DX,IECCH)
IF(IECCH .EQ. 0 .AND. DX .GT. ZERO)
GO TO 700
WRITE(6,95O0)

WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
WATER
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users

123

ENDIF
WATER
GO TO 500
WATER
600 WRITE(6,1400) RHI
WATER
READ(5,*) RHI
WATER
IF(RHI .LE. ZERO)
GO TO 200
WATER
IF(RHI .GT. ZERO)
GO TO 800
WATER
700 RHI=DX*FR
WATER
8O0 IECCH=0
WATER
CALL HYDOR(T,RHI,IECCH)
WATER
IF(IECCH .NE. 0)
GO TO 300
WATER
A=G-P/RHI
WATER
U=H-P/RHI
WATER
WRITE(6,1610) T,RHI,P*FM
WATER
IF(P1R .NE. ZERO) THEN
WATER
WRITE(6,1620) P1R*FK,P1T*FM,R1T
WATER
WRITE(6,1630) CV*FK,CP*FK,S*FK
WATER
WRITE(6,1640) U*FK,H*FK,G*FK
WATER
WRITE(6,1650) U1R*FK,H1P,VS
WATER
ELSE
WATER
WRITE(6,1622) P1R*FK,P1T*FM
WATER
WRITE(6,1632) CV*FK,S*FK
WATER
WRITE(6,1640) U*FK,H*FK,G*FK
WATER
WRITE(6,1652) U1R*FK,VS
WATER
ENDIF
WATER
IF(T .LE. TC)
THEN
WATER
IF(XI .LT. l.DO) WRITE(6,1660) ETA,XLMB,SRFTS
WATER
IF(XI .GE. l.DO) WRITE(6,1662) ETA,XLMB
WATER
IF(P1R .NE. ZERO) WRITE(6,1670) PRN,XI,PS*FM
WATER
IF(P1R .EQ. ZERO) WRITE(6,1674) XI,PS*FM
WATER
ELSE
WATER
WRITE(6,1662) ETA,XLMB
WATER
WRITE(6,1672) PRN
WATER
ENDIF
WATER
IF(T .LE. TC)
THEN
WATER
WRITE(6,1680) DV*FR,RHSV,PSV*FM
WATER
WRITE(6,1682) DL*FR,RHSL,PSL*FM
WATER
ENDIF
WATER
300 WRITE(6,2000)
WATER
GO TO 400
WATER
1001 FORMAT(/2H +,39(2H++)/2H +,77X,1H+/2H +,5X,1HW,5X,1HW,5X,1HA,5X WATER
=,7(1HT),2X,7(1HE),2X,6(1HR),9X,17HSTATUS : 94/12/09,4X,1H+/2H + WATER
=,5X,1HW,5X,1HW,4X,3(1HA),4X,7(1HT),2X,7(1HE),2X,7(1HR),29X,1H+
WATER
=/2H +,5X,1HW,5X,1HW,3X,5HAA AA,6X,1HT,5X,1HE,6X,2X,1HR,5X,1HR,29X WATER
=,1H+/2H +,5X,7HW W W,2X,7HAA AA,5X,1HT,5X,5HE EEE,4X,IHR,IX WATER
=,5(1HR),29X,1H+/2H +,5X,7HW WWW W,2X,1HA,5X,1HA,5X,1HT,5X,5HE EEE WATER
=,4X,1HR,1X,4(1HR),30X,1H+/2H +,5X,7HWWW WWW,2X,7HA AAA A.5X.1HT WATER
=,5X,1HE,8X,5HR RR.31X,1H+/2H +,5X,7HWW WW,2X,7HA AAA A,5X,1HT WATER
=,5X,7(1HE),2X,6HR RR,30X,1H+/2H +,5X,1HW,5X,1HW,2X,1HA,5X
WATER
=,1HA,5X,1HT,5X,7(1HE),2X,1HR,4X,2HRR,29X,1H+ )
WATER
1002 FORMAT(2H +,77X,1H+/2H +.14X
WATER
=,48HWATER CALCULATES THERMAL PROPERTIES OF THE WATER,15X.1H+
WATER
=/2H +,19X,39HIN THE LIQUID, VAPOR AND GASEOUS STATES,19X.1H+
WATER
=/2H +,15X,46HEITHER AS FUNCTIONS OF TEMPERATURE AND DENSITY,16X WATER
=,1H+/2H +,16X,44H0R AS FUNCTIONS OF TEMPERATURE AND PRESSURE.
WATER
=,17X,1H+)
WATER
124

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1003 FORMAT(2H +,77X,1H+/2H + ,14X

=,49HTHE PROPERTIES CALCULATED ARE THE FOLLOWING ONES:
-.14X.1H+/2H +,77X,1H+/2H +,5X,3HT =,12H TEMPERATURE,11X.3HP =
=,9H PRESSURE,15X.5HRHO =,8H DENSITY,6X.1H+/2H +,5X
=,46HCV / CP = ISOBARIC / ISOCHORIC HEAT CAPACITIES,7X
=,11HS = ENTROPY,8X,1H+/2H +,5X,18HG = GIBBS FUNCTION,8X
=,10HU = ENERGY,17X.12HH = ENTHALPY,7X,1H+/2H +,5X
=,22HVEL.S = SONIC VELOCITY,4X.23HSIGMA = SURFACE TENSION,4X
=,15HETA = VISCOSITY,4X.1H+/2H +,5X
=,29HLAMBDA = THERMAL CONDUCTIVITY,12X,22HPR.NR = PRANDTL NUMBER
=,9X,1H+/2H +,5X,20HVAP.QU = M.VAP/M.T0T,52X,1H+
=/2H +,77X,1H+/2H +,28X,21HF0R MORE INFORMATION ,5H =>
=,19HK. THURNAY, T: 2477,4X,1H+/2H +,39(2H++) ///)
1050 F0RMAT(//29H ENTER TEMPERATURE ( IN K ) /,F10.3
=,31H / =:
( STOP WTIH T = 0 ) )
1100 FORMAT(/30H DO YOU WANT THE PROPERTIES AS
=/ 5X,35H 1 = TEMPERATURE-DENSITY FUNCTIONS
=/ 5X.35H 2 = TEMPERATURE-PRESSURE FUNCTIONS
=,15X,15H( STOP WITH 0 ) )
1200 F0RMAT(//33H ENTER PRESSURE ( IN MPASCAL ) /,G15.7
=,28H / =:
( STOP WTIH P = 0 ) )
1300 F0RMAT(/36H LIQUID ( 1 ) OR VAPOR ( 2 ) STATE ?
=,17H ( O = STOP ) =: )
1400 F0RMAT(//31H ENTER DENSITY ( IN KG/M**3 ) /,G15.7
=,28H / =: ( STOP WTIH RHO = 0 ) )
1610 F0RMAT(//4H T =,F10.3,13X,5HRH0 =,G14.7,8X,3HP =,G15.7
=/2X,2H K,25X,7HKG/M**3,20X,7HMPASCAL)
1620 F0RMAT(10H DP/DRHO =,G13.6,4X,7HDP/DT =,G13.6,7X,9HDRH0/DT =
=,G14.6/2X,6H KJ/KG,21X.9HMPASCAL/K,18X,10HKG/(K*M**3 )
1622 FORMAT(10H DP/DRHO =,G13.6,4X,7HDP/DT =,G13.6,7X,9HDRH0/DT =
=,6H -INF./2X.6H KJ/KG,21X,9HMPASCAL/K,17X,9HKG/M**3/K )
1630 FORMAT(5H CV =,G13.6,9X,4HCP =,G13.6,10X,3HS =,G14.6
=/3X,9HKJ/(KG*K),17X,9HKJ/(KG*K),18X,9HKJ/(KG*K) )
1632 FORMAT(5H CV =,G13.6,9X,4HCP =,5H INF.,18X,3HS =,G14.6
=/3X,9HKJ/(KG*K),17X,9HKJ/(KG*K),18X,9HKJ/(KG*K) )
1640 FORMAT(4H U =,G14.6,9X,3HH =,G14.6,10X,3HG =,G14.6
=/2X,6H KJ/KG,21X,5HKJ/KG,22X,5HKJ/KG )
1650 FORMAT(10H DU/DRHO =,G14.6,3X,7HDH/DP =,G14.6,6X
=,7HVEL.S =,G13.6/2X,14H KJ*M**3/KG**2,13X,7HM**3/KG,20X,5HM/SEC)
1652 FORMAT(10H DU/DRHO =,G14.6,3X,7HDH/DP =,6H -INF..14X
=,7HVEL.S =,G13.6/2X,14H KJ*M**3/KG**2,13X,7HM**3/KG,20X,5HM/SEC)
1660 FORMAT(6H ETA =,G13.6,8X,8HLAMBDA =,G13.6,6X
=,7HSIGMA =,G13.6/2X,9H KG/M/SEC,18X,5HW/M/K,22X,9HKG/SEC**2)
1662 FORMAT(6H ETA =,G13.6,8X,8HLAMBDA =,G13.6
=/2X,9H KG/M/SEC,18X,5HW/M/K)
1670 FORMAT(8H PR.NR =,G13.6,6X,8HVAP.QU =,G13.6,6X,4HPS =,G14.7
=/56X,7HMPASCAL )
1672 FORMAT(8H PR.NR =,G13.6/)
1674 FORMAT(8H PR.NR =,6H -INF.,13X,8HVAP.QU =,G13.6,6X,4HPS =,G14.7
=/56X,7HMPASCAL )
1680 FORMAT(7H RH.V =,G14.7,6X,7HRH.SV =,G14.7,6X,6HP.SV =
=,G13.6/2X,8H KG/M**3,19X,7HKG/M**3,20X,7HMPASCAL )
1682 FORMAT(7H RH.L =,G14.7,6X,7HRH.SL =,G14.7,6X,6HP.SL =
=,G13.6/2X,8H KG/M**3,19X,7HKG/M**3,20X,7HMPASCAL )
2000 FORMAT(/////////////////////////////)

WATER
WATER
WATER
WATER
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WATER
WATER
WATER
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WATER
WATER
WATER
WATER
WATER
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WATER
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WATER
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WATER
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WATER
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WATER
WATER
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WATER
WATER
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WATER
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WATER
WATER
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users

125

9300
9400
9500
999

H.2

C
C

F0RMAT(/35H NO LIQUID STATE AT THIS PRESSURE ! )

F0RMAT(/35H NO VAPOR STATE AT THIS PRESSURE ! )
F0RMAT(/42H NO SUPERCRITICAL STATE AT THIS PRESSURE ! )
STOP
END
INR105.AQUA.FORT(KAISOT)

PROGRAM KAISOT
CALCULATES THERMAL PROPERTIES OF WATER
ALONG DIFFERENT ISOTHERMS
94/11/30
IMPLICIT REAL*8(A-H,0-Z)
REAL*8 FRH(100O),RH(1O00),F(1000),XF(1000)
INTEGER NEIG(50)
CHARACTER*8 NAMR,MASR,NAMF,MASF,NORMR,NORMW,MODUS
=,NAMG,MASG
COMMON /MUFUN/ RH,RMI,RMA,RED,FRH,FMI,FMA,FED
COMMON /HYDUF/ S,G,H,H1P,U1R,CV,CP,P,P1T,P1R,R1T,R1P
=,ETA,XLMB,SRFTS,P1RS.VS,PRN,V,XI
DATA IRE/15/,IWR/16/,M0DUS/'**0LD***7,KPRI/2/
DATA IA,IE,11/1,1000,1/
DATA NEIG/11,15,17,21,22,23,24,26,27,31,32,34,35,36,41,42,43
=,44,45,46,47,29*0/
WRITE(6,100O)
CALL SERDIO(IRE,NORMR,IWR,NORMW,MODUS,KPRI)
IF(NORMR .NE. GRAPHIC8 )
GO TO 999
IF(NORMW .NE. 'GRAPHIC8')
GO TO 999
120 WRITE(6,1100)
READ(5,*) T
IF(T .LE. 0)
GO TO 999
200 CALL SIGNAT(KLASSE,NUMMER,NAMF.MASF,NEIG)
IF(KLASSE .LE. 0)
GO TO 120
CALL MUSTER(IA,IE,II,NAMR,MASR,NAMG,MASG,*2O0)
CALL PG3277
NAMF(5:8)='.ITH'
WRITE(6,1200)
READ(5,*) ISCRI
MP=0
DO 111 I=IA,IE,II
RHI=RH(I)
CALL HYDOR(T,RHI,IECCH)
IF(IECCH .NE. 0)
GO TO 111
MP=MP+1
IF(ISCRI .EQ. 0 .AND. M0D(MP,25) .EQ. 1)
WRITE(6,15O0) NAMF.NAMG
IF(KLASSE .EQ. 11)
F(I)=RH(I)
IF(KLASSE .EQ. 15)
F(I)=P
IF(KLASSE .EQ. 17)
F(I)=V
IF(KLASSE .EQ. 21)
F(I)=P1R
IF(KLASSE .EQ. 22)
F(I)=P1T
IF(KLASSE .EQ. 23)
F(I)=R1P
IF(KLASSE .EQ. 24)
F(I)=R1T
IF(KLASSE .EQ. 26)
F(I)=CV
1

126

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KAISOT
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KAISOT
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KAISOT
KAISOT
KAISOT
KAISOT
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KAISOT
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KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
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KAISOT
KAISOT
KAISOT
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KAISOT
KAISOT
KAISOT
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KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT

IF(KLASSE .EQ. 27)

F(I)=CP
IF(KLASSE .EQ. 31)
F(I)=VS
IF(KLASSE .EQ. 32)
F(I)=SRFTS
IF(KLASSE .EQ. 34)
F(I)=ETA
IF(KLASSE .EQ. 35)
F(I)=XLMB
IF(KLASSE .EQ. 36)
F(I)=PRN
IF(KLASSE .EQ. 41)
F(I)=G-P*V
IF(KLASSE .EQ. 42)
F(I)=G
IF(KLASSE .EQ. 43)
F(I)=H-P*V
IF(KLASSE .EQ. 44)
F(I)=H
IF(KLASSE .EQ. 45)
F(I)=S
IF(KLASSE .EQ. 46)
F(I)=U1R
IF(KLASSE .EQ. 47)
F(I)=H1P
IF(ISCRI .EQ. 0) WRITE(6,1600) I,RH(I),F(I),FRH(I)
IF(ISCRI .EQ. O .AND. M0D(MP,25) .EQ. 0) WRITE(6,1400)
111 CONTINUE
IF(ISCRI .EQ. 0)
GO TO 199
LAX1

RMI=RMA
CALL FENST8(MP,RH,XF,RMI,RMA,RED,LAX,KAXE,MASR)
FMI=FMA
CALL FENST8(MP,F,XF,FMI,FMA,FED,LAX,KAXE,MASF)
NUMMER=T*1O.D0
CALL SDING8(KLASSE,NUMMER,MP
=,RH,RMI,RMA,RED,NAMR,MASR,F,FMI,FMA,FED,NAMF,MASF,MODUS)
199 WRITE(6,2O00)
GO TO 200
1000 FORMAT(2H +,39(2H++)/2H +,77X,1H+
=/2H +,6X,14HPR0GRAM KAISOT,34X,17HSTATUS : 94/11/30,6X,1H+
=/2H +,77X,1H+/2H +,6X,30HCALCULATES THERMAL PROPERTIES
=,30HOF THE WATER ALONG AN ISOTHERM,11X,1H+
=/2H +,24X,27HAS FUNCTIONS OF THE DENSITY,26X,1H+
=/2H +,12X,35HUSING A SAMPLE (RH,FRH)-FUNCTION AS
=,18H A DENSITY-PATTERN,12X.1H+/2H +,77X,1H+/2H +,39(2H++) )
1100 F0RMAT(49H ENTER TEMPERATURE OF THE ISOTHERM =: ( 0 = END ) )
1200 F0RMAT(37H FUNCTION TO BE SAVED ? ( 0 = NO ) =: )
1400 FORMAT(///)
1500 FORMAT(/1H0,3X,1HI,9X,2HRH,8X,5HCALC.,A8,6X,5HMAST.,A8)
1600 F0RMAT(I5,2G16.6,G19.6)
2000 FORMAT(//////////////////////////////////)
999 STOP
END
H.3

C
C

KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT
KAISOT

INR105.AQUA.FORT(KAISOK)

PROGRAM KAISOK
CALCULATES THERMAL PROPERTIES OF WATER
ALONG DIFFERENT ISOCHORES
IMPLICIT REAL*8(A-H,0-Z)
REAL*8 FX(1000),X(1000),F(1000),XF(1O00)
INTEGER NEIG(50)
CHARACTERS NAMX,MASX,NAMF,MASF,NORMR,NORMW,MODUS
=,NAMG

KAISOK
KAISOK
94/11/30 KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
users

127

COMMON /MUFUN/ X.XMI,XMA,XED,FX,FMI,FMA,FED

COMMON /HYDUF/ S,G,H,H1P,U1R,CV,CP,P,P1T,P1R,R1T,R1P
=,ETA,XLMB,SRFTS,P1RS,VS,PRN,V,XI
DATA IRE/15/,IWR/16/,MODUS/'**OLD***7,KPRI/2/
DATA IA,IE,11/1,1000,1/
DATA NEIG/11,15,17,21,22,23,24,26,27,31,32,34,35,36,41,42,43
=,44,45,46,47,29*0/
WRITE(6,100O)
CALL SERDIO(IRE,NORMR,IWR,NORMW,MODUS,KPRI)
IF(NORMR .NE. 'GRAPHIC8')
GO TO 999
IF(NORMW .NE. GRAPHIC8 )
GO TO 999
120 WRITE(6,110O)
READ(5,*) RHI
IF(RHI .LE. 0)
GO TO 999
200 CALL SIGNAT(KLASSE,NUMMY,NAMF,MASF,NEIG)
IF(KLASSE .LE. 0)
GO TO 120
CALL MUSTER(IA,IE,II,NAMX,MASX,NAMG,MASF,*20O)
CALL PG3277
NAMF(5:8)='.ICH'
WRITE(6,1200)
READ(5,*) ISCRI
MP=0
DO 111 I=IA,IE,II
T=X(I)
CALL HYDOR(T,RHI,IECCH)
IF(IECCH .NE. 0)
GO TO 111
MP=MP+1
IF(ISCRI .EQ. 0 .AND. M0D(MP,25) .EQ. 1)
WRITE(6,1500) NAMF,NAMG
IF(KLASSE .EQ. 15)
F(I)=P
IF(KLASSE .EQ. 17)
F(I)=V
IF(KLASSE .EQ. 21)
F(I)=P1R
IF(KLASSE .EQ. 22)
F(I)=P1T
IF(KLASSE .EQ. 23)
F(I)=R1P
IF(KLASSE .EQ. 24)
F(I)=R1T
IF(KLASSE .EQ. 26)
F(I)=CV
IF(KLASSE .EQ. 27)
F(I)=CP
IF(KLASSE .EQ. 31)
F(I)=VS
IF(KLASSE .EQ. 32)
F(I)=SRFTS
IF(KLASSE .EQ. 34)
F(I)=ETA
IF(KLASSE .EQ. 35)
F(I)=XLMB
IF(KLASSE .EQ. 36)
F(I)=PRN
IF(KLASSE .EQ. 41)
F(I)=G-P*V
IF(KLASSE .EQ. 42)
F(I)=G
IF(KLASSE .EQ. 43)
F(I)=H-P*V
IF(KLASSE .EQ. 44)
F(I)=H
IF(KLASSE .EQ. 45)
F(I)=S
IF(KLASSE .EQ. 46)
F(I)=U1R
IF(KLASSE .EQ. 47)
F(I)=H1P
IF(ISCRI .EQ. 0) WRITE(6,1600) I,T,F(I),FX(I)
IF(ISCRI .EQ. 0 .AND. M0D(MP,25) .EQ. 0) WRITE(6,1400)
111 CONTINUE
IF(ISCRI .EQ. 0)
GO TO 199
LAX=-1
XMI=XMA
1

128

aqua

KAISOK
KAISOT
KAISOT
KAISOK
KAISOK
KAISOT
KAISOT
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOT
KAISOK
KAISOT
KAISOK
KAISOK
KAISOT
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK

CALL FENST8(MP,X,XF,XMI,XMA,XED,LAX,KAXE,MASR)
FMI=FMA
CALL FENST8(MP,F,XF,FMI,FMA,FED,LAX,KAXE,MASF)
NUMMER=RHI
CALL SDING8(KLASSE,NUMMER,MP
=,X,XMI,XMA,XED,NAMX,MASX,F,FMI,FMA,FED,NAMF,MAS F,MODUS)
199 WRITE(6,2O00)
GO TO 200
1000 FORMAT(2H +,39(2H++)/2H +,77X,1H+
=/2H +,6X,14HPR0GRAM KAISOK,34X,17HSTATUS : 94/11/39,6X.1H+
=/2H +,77X,1H+/2H +,6X,30HCALCULATES THERMAL PROPERTIES
=,30H0F THE WATER ALONG AN ISOCHORE,11X.1H+
=/2H +,23X,31HAS FUNCTIONS OF THE TEMPERATURE,23X,1H+
=/2H +,12X,33HUSING A SAMPLE (T.FT)-FUNCTION AS
=,22H A TEMPERATURE-PATTERN,10X,1H+/2H +,77X,1H+/2H +,39(2H++) )
1100 F0RMAT(1H1/45H ENTER DENSITY OF THE ISOCHORE =: ( 0 = END ) )
1200 F0RMAT(37H FUNCTION TO BE SAVED ? ( 0 = NO ) =: )
1400 FORMAT(///)
1500 FORMAT(/1H0,3X,1HI,5X,1HT,8X,5HCALC.,A8,6X,5HMAST.,A8)
1600 F0RMAT(I5,F10.3,G16.6,G19.6)
2000 F0RMAT(//////////////////////////////////)
999 STOP
END
Note:

KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK
KAISOK

T h e routine P G 3 2 7 7 in the a b o v e p r o g r a m s s e r v e s o n l y to c l e a r t h e s c r e e n for a

new batch of output a n d c a n b e o m i t t e d , or r e p l a c e d with an a l t e r n a t i v e r o u t i n e .

users

129

Appendix I.

H.G.K.-users

T h e f o l l o w i n g p r o g r a m s s e r v e to c a l c u l a t e different w a t e r p r o p e r t i e s u s i n g t h e
H . G . K . - r o u t i n e s a n d t h e I A P S - 8 2 e q u a t i o n s ( 3.0, " T r a n s p o r t p r o p e r t i e s of the w a t e r . " o n
p a g e 9 ).

1.1

INR105.AQUA.FORT(HGKSPN)

PROGRAM HGKSPN
CALCULATES THE SPINODALS OF THE WATER
USING THE HGK-CODE
94/12/13
IMPLICIT REAL*8(A-H,0-Z)
REAL*8 P(1O0O),F(100O),R(10OO),W(10OO)
REAL*8 Y(3),FY(3)
CHARACTER*8 NORMR,NORMW.MODUS
=,NAMW,MASW,NAMR,MASR,NAMP,MASP
COMMON /MUFUN/ W.WMI,WMA,WED ,F,FMI,FMA,FED
COMMON /REDUF/ GO,S0,Z,P1TO,P1R0,CV0,CPO,ETA,XLMB,R1T0,CPC,HO
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RL1T0,RV1T0,RHSL,PSL
=,RHSV,PSV,SL,GL,PL1R0,PL1T0,CVL,ETL,XLL,PV1R0,PVITO,CVV,EV,XLV
PARAMETER(TC=647.126D0,RHC=0.322D3,RGAS=4.61522D+2,TCN=646.3D0)
DATA IRE/15/,IWR/16/,MODUS/'**0LD***7,KPRI/2/
DATA IA,IE,11/1,1000,1/,IP/0/
DATA ITE/10/,ZERO/0.DO/,PRMO/l.D-10/,RHMAX/1.2D3/
DATA NAMW/'
T 7
DATA MASW,MASR,MASP/'
K ',' KG/M**3',' PASCAL'/
C

WRITE(6,1O00)
CALL SERDIO(IRE,NORMR,IWR,NORMW,MODUS,KPRI)
IF(NORMR .NE. 'GRAPHIC8' .OR. NORMW .NE. 'GRAPHIC8') GO TO 999
100 WRITE(6,1100) IP
READ(5,*) IP
IPP=MIN(IPP,2)
IF(IP .LE. O)
GO TO 999
CALL MUSTER(IA,IE,II,NAMT,MAST,NAMP,MASP,*100)
CALL PG3277
WRITE(6,1200)
READ(5,*) ISCRI
C
DENSITY ITERATION FOR THE "DP/DRH = 0" POINT
MP=0
DO 211 J=IA,IE,II
T=W(J)
C
IF(T .GT. TCN)
GO TO 490
CALL ONLYT(T,IECCH)
CALL SUBCRI(T)
RED=2.D-2*RHC
IF(IP .EQ. 1)
THEN
NAMR='RHSL.HGK'
NAMP='PSPL.HGK'
RHL=DL*1.D3
RHI=MIN(1.25D0*RHL,RHMAX)
RED=ABS(RED)
C
C

HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN

H.G.K.

131

ELSEIF(IP .EQ. 2)
THEN
NAMR='RHSV.HGK'
NAMP='PSPV.HGK'
RHV=DV*1.D3
RHI=7.5D-1*RHV
RED=-ABS(RED)
ENDIF
MP=MP+1
IF(ISCRI .EQ. 0 .AND. M0D(MP,25) .EQ. 1) WRITE(6,1600)
RH=RHI
IT=0
DO 311 L=1,100O
ROF=RH-RHC
IF(IP .EQ. 1 .AND. ROF .LT. ZERO)
THEN
WRITE(6,900O) T
GO TO 490
ELSEIF(IP .EQ. 2 .AND. ROF .GT. ZERO)
THEN
WRITE(6,90O1) T
GO TO 490
ENDIF
DX=RH*l.D-3
CALL REDUK(T,DX,IECCH)
IF(P1R0 .EQ. ZERO)
THEN
R(J)=RH
GO TO 450
ENDIF
IF(L .LE. 2)
GO TO 320
IF(IP .EQ. 1)
THEN
Y(3)=Y(2)
FY(3)=FY(2)
ELSE
Y(1)=Y(2)
FY(1)=FY(2)
ENDIF
320 IF(L .LE. 1)
GO TO 330
IF(IP .EQ. 1)
THEN
Y(2)=Y(1)
FY(2)=FY(1)
ELSE
Y(2)=Y(3)
FY(2)=FY(3)
ENDIF
330 IF(IP .EQ. 1)
THEN
Y(1)=DX
FY(1)=P1R0
ELSE
Y(3)=DX
FY(3)=P1R0
ENDIF
IF(P1R0 .GT. ZERO)
GO TO 311
IF(P1R0 .EQ. ZERO)
THEN
R(J)=RH
GO TO 450
ENDIF
IF(L .GT. 2)
GO TO 410
132

aqua

HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN

311 RH=RH-RED
410 IT-IT+1
420 CALL QUAD0(FY,Y,ZER0,DX,ID)
IF(ID .NE. 0)
THEN
WRITE(6,1500)
ID,(Y(K),K=1,3),(FY(K),K=1,3)
ENDIF
KI=0
CALL SORBET(KI,FY,Y,ZERO,DX)
CALL REDUK(T,DX,IECCH)
R(J)=DX*1.D3
IF(ABS(P1R0) .LT. PRM0)
GO TO 450
FY(KI)=P1R0
440 IF(IT .LT. ITE)
GO TO 410
450 P(J)=R(J)*T*RGAS*Z
IF(ISCRI .EQ. 0)
WRITE(6,1700) T,L,IT,R(J),P(J),P1R0
IF(ISCRI .EQ. 0 .AND. M0D(MP,25) .EQ. 0) WRITE(6,1400)
211 CONTINUE
490 IF(ISCRI .EQ. O)
GO TO 99
C
SAVING THE FUNCTIONS
500 LAX1
WMI=WMA
CALL FENST8(MP,W,F,WMI,WMA,WED,LAX,KAXE,MASW)
RMI=RMA
CALL FENST8(MP,R,F,RMI,RMA,RED,LAX,KAXE,MASR)
PMI=PMA
CALL FENST8(MP,P,F,PMI,PMA,PED,LAX,KAXE,MASP)
MMM=0
NUMMER=NAPSZM(MMM)
C
DENSITY ON THE SPINODALE
KLASSE=1013 + (IP-1)*40
CALL SDING8(KLASSE,NUMMER,MP
=,W,WMI,WMA,WED,NAMW,MASW,R,RMI,RMA,RED,NAMR,MASR.MODUS)
C
PRESSURE ON THE SPINODALE
KLASSE=1016 + ( I P - l ) M O
CALL SDING8(KLASSE,NUMMER,MP
=,W,WMI,WMA,WED,NAMW,MASW,P.PMI,PMA,PED,NAMP,MASP,MODUS)
99 WRITE(6,2O00)
GO TO 100
C
1000 FORMAT(2H +,39(2H++)/ 2H +,77X,1H+
=/2H +,6X,15HPR0GRAM HGKSPN ,33X,17HSTATUS : 94/12/09,6X,1H+
=/2H +,77X,1H+/2H +.17X
=,42HCALCULATES THE LIQUID AND VAPOR SPINODALS .18X.1H+
=/ 2H +,77X,1H+/2H +,39(2H++) )
1100 F0RMAT(/11H PROPERTY /.I3.5H / =:
=/20H " 0 " STOP :
=/20H " 1 " LIQID :
=/20H " 2 " VAPOR :
)
1200 F0RMAT(37H FUNCTION TO BE SAVED ? ( 0 = NO ) =: )
1400 FORMAT(////)
150O FORMAT(' KI =',I3,2X,'Y =',3G17.8/10X, FY =',3G17.8)
1600 FORMAT(4X,'T',6X,'L',2X, IT',7X,'RHSP ,12X,'PSP',13X,'PIRO')
1700 F0RMAT(F8.3,2I4,3G16.6)
2000 FORMAT(///////////////////////////////)
9000 FORMAT(22H NO P.MIN FOUND AT T =,F10.3,4H !!! )
1

HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
- HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
HGKSPN
H.G.K.

133

9001 F0RMAT(22H NO P.MAX FOUND AT T =,F10.3,4H !!! )

C
999 STOP
END
1.2

C
C

INR105.AQUA.FORT(HGKSAT)

PROGRAM HGKSAT
CALCULATES SATURATED PROPERTIES OF THE WATER
USING THE HGK-CODE
94/07/29
IMPLICIT REAL*8(A-H,0-Z)
INTEGER NEIG(50)
REAL*8 X(1000),TS(1000),FL(1000),FV(1000),XF(10OO),FX(100O)
CHARACTER*8 NAMT,MAST,NAMF,MASF,NORMR,NORMW,MODUS,NAMP,MASP,NAMV
COMMON /MUFUN/ X,XMI,XMA,XED,FX,FMI,FMA,FED
COMMON /ACONST/ WM,GASCON,TZ,AA,ZB,DZB,YB,UREF,SREF
COMMON /FCTS/ AD,GD,SD,UD,HD,CVD,CPD,DPDT,DVDT,CJTT,CJTH,Z,DPDD
DATA IRE/15/,IWR/16/,MODUS/'**OLD***7,KPRI/2/.IA,IE,11/1,1000,1/
=,TAUS/1.D3/
DATA NEIG/1,11,15,21,22,26,27,42,44,45,40*0/
WRITE(6,10O0)
CALL SERDIO(IRE,NORMR,IWR,NORMW,MODUS,KPRI)
IF(NORMR .NE. 'GRAPHIC8 )
GO TO 999
IF(NORMW .NE. 'GRAPHIC8')
GO TO 999
100 WRITE(6,1100)
READ(5,*) NEP
IF(NEP .LE. 0)
GO TO 999
2O0 CALL SIGNAT(KLASSE,NUMMER,NAMF,MASF,NEIG)
IF(KLASSE .LE. 0)
GO TO 100
CALL MUSTER(IA,IE,II,NAMT,MAST,NAMP,MASP,*200)
220 CALL PG3277
WRITE(6,1200)
READ(5,*) ISCRI
NAMF(5:8)='-HGK'
NAMV=NAMF
MP=0
J=0
DL=1.D0
DV=5.D-3
RGAS=GASCON*TAUS
DO 111 I=IA,IE,II
J=J+1
IF(ISCRI .EQ. 0 .AND. M0D(J,25) .EQ. 1)
WRITE(6,1500) NAMF,NAMV
T=X(I)
TS(J)=T
CALL PCORR(T,P,DL,DV)
IF(KLASSE .EQ. 1)
THEN
FL(J)=P*l.D+6
FV(J)=PS(T)*1.D6
GO TO 110
ENDIF
IF(KLASSE .EQ. 11)
THEN
1

134

HGKSPN
HGKSPN
HGKSPN
HGKSPN

aqua

HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT

FL(J)=DL*TAUS
FV(J)=DV*TAUS
GO TO 110
ENDIF
ROT = RGAS*T
ZDUM = BASE(DL.T)
CALL QQ(T,DL)
CALL THERM(DL.T)
IF(KLASSE .EQ. 15)
FL(J)=Z*ROT*DL*TAUS
IF(KLASSE .EQ. 21)
FL(J)=DPDD*TAUS
IF(KLASSE .EQ. 22)
FL(J)=DPDT*1.06
IF(KLASSE .EQ. 26)
FL(J)=CVD*RGAS
IF(KLASSE .EQ. 27)
FL(J)=CPD*RGAS
IF(KLASSE .EQ. 42)
FL(J)=GD*ROT
IF(KLASSE .EQ. 44)
FL(J)=HD*ROT
IF(KLASSE .EQ. 45)
FL(J)=SD*RGAS
ZDUM = BASE(DV.T)
CALL QQ(T,DV)
CALL THERM(DV.T)
IF(KLASSE .EQ. 15)
FV(J)=Z*ROT*DV*TAUS
IF(KLASSE .EQ. 21)
FV(J)=DPDD*TAUS
IF(KLASSE .EQ. 22)
FV(J)=DPDT*1.D6
IF(KLASSE .EQ. 26)
FV(J)=CVD*RGAS
IF(KLASSE .EQ. 27)
FV(J)=CPD*RGAS
IF(KLASSE .EQ. 42)
FV(J)=GD*ROT
IF(KLASSE .EQ. 44)
FV(J)=HD*ROT
IF(KLASSE .EQ. 45)
FV(J)=SD*RGAS
110 IF(ISCRI .EQ. 0) WRITE(6,1700) J,T,FX(I),FL(J),FV(J)
IF(ISCRI .EQ. 0 .AND. M0D(J,25) .EQ. 0) WRITE(6,1400)
111 CONTINUE
MP=J
IF(ISCRI .EQ. 0)
GO TO 199
LAX1
XMI=XMA
CALL FENST8(MP,X,XF,XMI,XMA,XED,LAX,KAXE,MASX)
KLASSE=KLASSE+1000
FMI=FMA
CALL FENST8(MP,FL,XF,FMI,FMA,FED,LAX,KAXE,MASF)
CALL SDING8(KLASSE,NUMMER,MP
=,X,XMI,XMA,XED,NAMT.MAST,FL,FMI,FMA,FED,NAMF,MASF,MODUS)
IF(KLASSE .EQ. 1001) THEN
KLASSV=1002
ELSE
KLASSV=KLASSE+40
ENDIF
FMI=FMA
CALL FENST8(MP,FV,XF,FMI,FMA,FED,LAX,KAXE,MASF)
CALL SDING8(KLASSV,NUMMER,MP
=,X,XMI,XMA,XED,NAMT,MAST,FV,FMI,FMA,FED,NAMV,MASF,MODUS)
199 WRITE(6,2000)
GO TO 20O
1000 F0RMAT(2H +,39(2H++)/2H +,77X,1H+/2H +,6X,14HPR0GRAM HGKSAT
=,34X,17HSTATUS : 94/07/29,6X,1H+/2H +,77X,1H+/2H +.14X
=,48HCALCULATES THE SATURATED PROPERTIES OF THE WATER,15X.1H+
=/2H + ,13X,51HAS FUNCTIONS OF THE TEMPERATURE WITH THE H.G.K-CODE

HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT

H.G.K.

135

=,13X,1H+/2H +,7X,30HUSING A SAMPLE (T.P)-FUNCTION

=,33HAS A TEMPERATURE/PRESSURE-PATTERN,7X.1H+
=/2H + 77X,1H+/2H +,39(2H++) )
llOO FORMAT(31H NEW PROPERTY ? ( O = STOP ) =: )
12O0 F0RMAT(37H FUNCTION TO BE SAVED ? ( 0 = NO ) =: )
1400 FORMAT(////)
15O0 F0RMAT(1H0,2X,1HI,8X,2HT ,8X,2HP ,11X,A8,8X,A8)
1700 F0RMAT(I4,F12.3,3G16.8)
2000 FORMAT(//////////////////////////////////)
999 STOP
END
S

1.3

INR105.AQUA.FORT(TRNSAT)

PROGRAM TRNSAT
CALCULATES TRANSPORT PROPERTIES OF THE WATER
ON THE SATURATTION LINE
94/12/07
IMPLICIT REAL*8(A-H,0-Z)
REAL*8 X(1000),F(100O),FL(1OO0),FV(1O00)
CHARACTERS NAMT,MAST,NAMF,MASF,NORMR,NORMW,MODUS
COMMON /MUFUN/ X,TMI,TMA,TED ,F,FMI,FMA,FED
COMMON /REDUF/ GO,S0,Z,P1TO,P1R0,CV0,CPO,ETA,XLMB,R1T0,CPC,H0
COMMON /SATIF / PS,TPSIT,TTPS2T,DL,DV,RL1TO,RV1T0,RHSL,PSL
=,RHSV,PSV,SL,GL,PL1R0,PL1T0,CVL,ETL,XLL,PV1R0,PVITO,CVV,ETV,XLV
PARAMETER(TC=647.126D0,RGAS=4.61522D+2,DC=0.322)
DATA IRE/15/,IWR/16/,M0DUS/'**0LD***7,KPRI/2/
DATA NR/O/.IA,IE,11/1,1000,1/
WRITE(6,1000)
CALL SERDIO(IRE,NORMR,IWR,NORMW,MODUS,KPRI)
IF(NORMR .NE. 'GRAPHIC8')
GO TO 999
IF(NORMW .NE. 'GRAPHIC8')
GO TO 999
100 WRITE(6,11O0) IPP
READ(5,*) IPP
IF(IPP .LE. 0)
GO TO 999
CALL MUSTER(IA,IE,II,NAMT,MAST,NAMF,MASF,*100)
CALL PG3277
IF(IPP .LE. 12)
THEN
KLASSE=34
NAMF=' ETA.L'
ELSEIF(IPP .GE. 13) THEN
KLASSE=35
NAMF='LAMBDA.L'
ENDIF
WRITE(6,120O)
READ(5,*) ISCRI
MP=0
DO 111 I=IA,IE,II
MP=MP+1
IF(ISCRI .EQ. 0 .AND. M0D(MP,25) .EQ. 1)
WRITE(6,1500)
OR=F(I)
T=X(I)
C
SATURATION PRESSURE AND DENSITIES
C
C

136

HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT
HGKSAT

aqua

TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT

C
C

CALL ONLYT(T,IECCH)
CALL SUBCRI(T)
CORRECTED VALUES FOR PS,RHOL,RHOV
DLK=DL
DVK=DV
CALL GPCORR(T,Q,DLK,DVK,IECCH)
HEAT CONDUCTIVITIES
IF(T .LE. 645.ODO)
THEN
SATURATED LIQUID
CALL REDUK(T,DLK,IECCH)
ETAL=ETA
XLAL=XLMB
SATURATED VAPOR
CALL REDUK(T,DVK,IECCH)
ETAV=ETA
XLAV=XLMB
ELSE
CALL TWOPHA(T)
RHL=DL*1.D3
CALL TRANSP(T,RHL,PL1R0,PL1T0,ETAL,XLAL)
RHV=DV*1.D3
CALL TRANSP(T,RHV,PV1RO,PV1T0,ETAV,XLAV)
ENDIF
IF(IPP .LE. 12)
THEN
FL(I)=ETAL
FV(I)=ETAV
ELSEIF(IPP .GE. 13)
THEN
FL(I)=XLAL
FV(I)=XLAV
ENDIF
FF=FL(I)
IF(ISCRI .EQ. 0)
THEN
RR=l.D2*(OR-FF)/0R
WRITE(6,170O) I,MP,T,0R,FF,RR
IF(M0D(MP,25) .EQ. 0)
WRITE(6,1400)
ENDIF
111 CONTINUE
IF(ISCRI .EQ. 0)
GO TO 99
NUMMER=NAPSZM(NR)
KLASSE=1034
LAX=-1
TMI=TMA
CALL FENST8(MP,X,XF,TMI,TMA,TED,LAX,KAXE,MASX)
FMI=FMA
CALL FENST8(MP,FL,XF,FMI,FMA,FED,LAX,KAXE,MASF)
CALL SDING8(KLASSE,NUMMER,MP
=,X,TMI,TMA,TED,NAMT,MAST,FL,FMI,FMA,FED,NAMF,MASF,MODUS)
KLASSE=KLASSE+40
NAMF(8:8)='V
FMI=FMA
CALL FENST8(MP,FV,XF,FMI,FMA,FED,LAX,KAXE,MASF)
CALL SDING8(KLASSE,NUMMER,MP
=,X,TMI,TMA,TED,NAMT,MAST,FV,FMI,FMA,FED,NAMF,MASF,MODUS)
99 WRITE(6,200O)
GO TO 100

TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
H.G.K.

137

1000 FORMAT(2H +,39(2H++)/ 2H +,77X 1H+/2H +,6X,14HPR0GRAM TRNSAT

=,34X,17HSTATUS : 94/12/07,6X,1H+
=/2H +.77X.1H+/2H +,22X,32HCALCULATING A TRANSPORT PROPERTY
=,23X,1H+/ 2H +,77X,1H+/2H +,39(2H++) )
1100 FORMAT(/11H PROPERTY /,I3,5H / =:
=/50H " 0 " STOP :
=/52H 12 " VISCOSITY OF THE SATURATED STATES :
=/52H " 13 " THERMAL CONDUCTIVITY OF THE SAT. STATES : )
1200 FORMAT(37H FUNCTION TO BE SAVED ? ( 0 = NO ) =: )
1400 FORMAT(///)
1500 FORMAT(/1H0,3X,1HI,3X,2HMP,6X,8HTS ( K ),5X,10HOR ( S.I ),2X
=,8HFU.APPR.,3X,13HR. DEV. ( % ) )
1700 F0RMAT(2I5,F12.4,2G15.6,F14.8)
2000 FORMAT(//////////////////////////////////)
999 STOP
END
S

11

138

aqua

TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT
TRNSAT

Appendix J . The IVA Routines

The f o l l o w i n g r o u t i n e s are s p e c i a l l y fitted for the c o d e s y s t e m IVA3, / 2 1 / . T h e m a i n v a r i a b l e s are the t e m p e r a t u r e a n d the p r e s s u r e , the c o r r e s p o n d i n g d e n s i t y m u s t b e g a i n e d
by inverting t h e i s o t h e r m T. A l l t h e p r o p e r t i e s u s e d are strictly in S l - u n i t s .

J.1

C
C
C
C
C

INR105.AQUA.FORT(SAET01)

SUBROUTINE SAET01(T,P
=,VW,VD,HW,HD,HWD,SW,SD,TS1P,CPW,CPD,ETW,ETD,XLMBW,XLMBD,SRFTS
=,KIND,LCATAS)
CALCULATES SATURATION PROPERTIES OF THE WATER
AS FUNCTIONS OF THE TEMPERATURE T ( I F KIND = 0 )
OR
AS FUNCTIONS OF THE PRESSURE P
( I F KIND = 1 )
FOR THE CODESYSTEM IVA3
94/12/09
Q = PRESSURE IN MEGAPASCALS, D = DENSITY IN G/CM**3
IMPLICIT REAL*8(A-H,0-Z)
LOGICAL LCATAS
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RL1T0,RV1T0,RHSL,PSL
=,RHSV,PSV,SL,GL,PL1R0,PL1T0,CVL,ETL,XLL,PV1R0,PVITO,CVV,ETV,XLV
PARAMETER(TC=647.126D0,TCN=646.ODO,RGAS=4.61522D+2)
DATA UN/1.DO/,RAF/1.03/
LCATAS=.FALSE.
IECCH = 0
Q=P*l.D-6
IF(KIND .EQ. 0)
GOTO 100
SATURATION TEMPERATURE AND DENSITIES
CALL TC0RR(T,Q,DLK,DVK,IECCH)
IF(IECCH .NE. 0)
THEN
LCATAS=.TRUE.
WRITE(6,9O01)
RETURN
ENDIF
GO TO 200
100 IF(T .GT. TC)
THEN
LCATAS=.TRUE.
WRITE(6,9004) T
RETURN
ENDIF
SATURATION PRESSURE AND DENSITIES
CALL 0NLYT(T,IECCH)
IF(IECCH .NE. 0)
THEN
LCATAS=.TRUE.
WRITE(6,9005)
RETURN
ENDIF
CALL SUBCRI(T)
CORRECTED VALUES FOR PS,RH0L,RH0V
DLK=DL
DVK=DV
IF(T .GE. TCN)
GOTO 200

SAET01
SAET01
SAET01
SAET01
SAET01
SAET01
SAET01
SAET01
SAET01
SAET01
SAET01
SAETO1
SAETO1
SAET01
SAETO1
SAET01
SAETO1
SAETO1
SAETO1
SAET01
SAET01
SAETO1
SAET01
SAET01
SAETO1
SAET01
SAET01
SAET01
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl

iva

139

C
C

200

9001
9004
9005
9008

J.2

C
C
C
C

140

CALL GPC0RR(T,Q,DLK,DVK,IECCH)
OTHER PROPERTIES OF THE SATURATED STATES
VAPOR PRESSURE DERIVATIVE T*DPS/DT
ROT=T*RGAS
TS1P=T/TPS1T
CALL TWOPHA(T)
LIQUID PROPERTIES
RHL=DLK*RAF
VW=UN/RHL
GW=GL*ROT
SW=SL*RGAS
HW=GW+SW*T
CPL=CVL+PL1T0*PL1TO/PL1RO
CPW=CPL*RGAS
ETW=ETL
XLMBW=XLL
SRFTS=SIGMA(T)
VAPOR PROPERTIES
RHV=DVK*RAF
VD=UN/RHV
GD=GW
HWD=TPS1T*(VD-VW)
SD=SW+HWD/T
HD=HW+HWD
CPV=CVV+PV1TO*PV1TO/PV1R0
CPD=CPV*RGAS
ETD=ETV
XLMBD=XLV
FORMAT(40H SAET01-ERROR. PRESSURE RANGE EXCEEDED. )
FORMAT(' T =',F12.2,' IS A SUPERCRITICAL TEMPERATURE !' )
FORMAT(42H SAET01-ERROR. TEMPERATURE BELOW FREEZING. )
F0RMAT(39H SAET01-ERROR. DENSITY RANGE EXCEEDED. )
RETURN
END

SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAET01
SAETOl
SAETOl
SAET01
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAETOl
SAET01
SAETOl
SAET01
SAETOl

INR105.AQUA.FORT(WASSER)

SUBROUTINE WASSER(T,P
= ,RW,HW,SW,CPW,VSW,ETW,XLMBW,PRNW,HWlP,RWIT,RW1P,SRFTS, LCATAW)
CALCULATES THERMOPHYSICAL PROPERTIES OF THE WATER
AS FUNCTIONS OT THE TEMPERATURE AND PRESSURE
FOR THE CODESYSTEM IVA3
94/12/07
Q = PRESSURE IN MEGAPASCALS, D = DENSITY IN G/CM**3
IMPLICIT REAL*8(A-H,0-Z)
LOGICAL LCATAW
COMMON /REDUF/ G0,S0,Z,P1T0,P1RO,CV0,CP0,ETA,XLMB,R1TO,CPC,H0
PARAMETER(TC=647.126D0,RGAS=4.61522D+2)
DATA ZERO/0.D0/.UN/1.DO/
LCATAW=.FALSE.
Q=P*l.D-6
IECCH=0
CALL 0NLYT(T,IECCH)
IF(IECCH .NE. 0)
THEN

aqua

WASSER
WASSER
WASSER
WASSER
WASSER
WASSER
WASSER
WASSER
WASSER
WASSER
WASSER
WASSER
WASSER
WASSER
WASSER
WASSER

C
C

C
C

9001
9002
9003
9005
9006
99

WRITE(6,9O01)
WASSER
LCATAW=.TRUE.
WASSER
GO TO 99
WASSER
ENDIF
WASSER
CALCULATING THE DENSITY
WASSER
IF(T .GE. TC)
CALL DGFIND(T,Q,DX,IECCH)
WASSER
IF(T .LT. TC)
CALL DLFIND(T,Q,DX,IECCH)
WASSER
IF(IECCH .NE. 0)
THEN
WASSER
IF(IECCH .LT. 0) WRITE(6,9O05)
WASSER
IF(IECCH .GT. 0) WRITE(6,9006)
WASSER
LCATAW=.TRUE.
WASSER
GO TO 99
WASSER
ENDIF
WASSER
RW=DX*1.D3
WASSER
V=UN/RW
WASSER
PROPERTIES AS TEMPERATURE-DENSITY-FUNCTIONS
WASSER
ROT=T*RGAS
WASSER
CALL REDUK(T,DX,IECCH)
WASSER
WRITE(6,'(16H PREDUK IECCH =,16)' ) IECCH
WASSER
IF(P1R0 .LE. ZERO)
THEN
WASSER
WRITE(6,90O3)
WASSER
LCATAW=.TRUE.
WASSER
GO TO 99
WASSER
ENDIF
WASSER
HW=HO*ROT
WASSER
SW=SO*RGAS
WASSER
CPW=CP0*RGAS
WASSER
P1R=P1R0*ROT
WASSER
ETW=ETA
WASSER
XLMBW=XLMB
WASSER
VELOCITY OF SOUND
WASSER
P1RS=CPC*P1R
WASSER
VSW=SQRT(P1RS)
WASSER
DH/DP , DRHO/DT , DRHO/DP
WASSER
HW1P=(UN+R1T0)*V
WASSER
RW1T=(RW/T)*R1T0
WASSER
RW1P=UN/P1R
WASSER
PRANDTL # , SURFACE TENSION
WASSER
PRNW=CPW*ETW/XLMB
WASSER
SRFTS=O.DO
WASSER
IF(T .LT. TC)
SRFTS=SIGMA(T)
WASSER
F0RMAT(34H WASSER-ERROR. TEMPERATURE TO LOW. )
WASSER
F0RMAT(55H WASSER-ERROR. NO WATER DENSITY FOUND AT THIS PRESSURE.)WASSER
FORMAT(45H WASSER-ERROR. DP/DRHO OF THE WATER VANISHES. )
WASSER
F0RMAT(51H WASSER-ERROR. PRESSURE TO LOW FOR A WATER DENSITY. ) WASSER
F0RMAT(52H WASSER-ERROR. PRESSURE TO HIGH FOR A WATER DENSITY. ) WASSER
RETURN
WASSER
END
WASSER

iva

141

J.3

C
C
C
C
C
C

142

INR105.AQUA.FORT(DAMPF)

SUBROUTINE DAMPF(T,P,RGAS,WGM
=,RD,HD,SD,CPD,VSD,ETD,XLMBD,PRND,HD1P,RD1T,RD1P, LCATAD)
CALCULATES THERMOPHYSIVCAL PROPERTIES OF THE STEAM
AS FUNCTIONS OT THE TEMPERATURE AND PRESSURE ( IF RD = O )
OR
AS FUNCTIONS OT THE TEMPERATURE AND DENSITY ( IF RD > 0 )
FOR THE CODESYSTEM IVA3
94/12/07
Q = PRESSURE IN MEGAPASCALS, D = DENSITY IN G/CM**3
IMPLICIT REAL*8(A-H,0-Z)
LOGICAL LCATAD
COMMON /AKONST/ WM,TC,DC,GASC0N,G1,G2,GF,TZ,UREF,SREF,TL0W
COMMON /REDUF / G0,S0,Z,P1T0,P1R0,CV0,CP0,ETA,XLMB,R1T0,CPC,H0
DATA ZERO/0.D0/.UN/1.D0/
LCATAD=.FALSE.
RGAS=GASC0N*1.D3
WGM=WM
Q=P*l.D-6
IECCH=0
CALL ONLYT(T,IECCH)
IF(IECCH .NE. 0)
THEN
WRITE(6,90O1)
LCATAD=.TRUE.
GO TO 90
ENDIF
DX=RD*l.D-3
IF(RD .GT. ZERO)
GO TO 50
CALCULATING THE DENSITY
IF(T .GE. TC)
CALL DGFIND(T,Q,DX,IECCH)
IF(T .LT. TC)
CALL DVFIND(T,Q,DX,IECCH)
IF(IECCH .NE. 0)
THEN
IF(IECCH .LT. 0) WRITE(6,9005)
IF(IECCH .GT. 0) WRITE(6,9006)
LCATAD=.TRUE.
GO TO 90
ENDIF
RD=DX*1.D3
50 V=UN/RD
PROPERTIES AS TEMPERATURE-DENSITY-FUNCTIONS
ROT=T*RGAS
CALL REDUK(T,DX,IECCH)
IF(P1R0 .EQ. ZERO)
THEN
WRITE(6,9O03)
LCATAD=.TRUE.
60 TO 90
ENDIF
IF(P .EQ. ZERO)
P=Z*ROT*RD
HD=H0*ROT
SD=S0*RGAS
CPD=CP0*RGAS
P1R=P1R0*ROT
ETD=ETA

aqua

DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF
DAMPF

C
C

C
9001
9002
9003
9005
9006
90

JA

C
C
C
C

XLMBD=XLMB
DAMPF
VELOCITY OF SOUND
DAMPF
P1RS=CPC*P1R
DAMPF
VSD=SQRT(P1RS)
DAMPF
DH/DP , DRHO/DT , DRHO/DP
DAMPF
HD1P=(UN+R1T0)*V
DAMPF
RD1T=(RD/T)*R1T0
DAMPF
RD1P=UN/P1R
DAMPF
PRANDTL #
DAMPF
PRND=CPD*ETD/XLMB
DAMPF
FORMAT(33H DAMPF-ERROR. TEMPERATURE TO LOW. )
DAMPF
FORMAT(54H DAMPF-ERROR. NO STEAM DENSITY FOUND AT THIS PRESSURE. )DAMPF
FORMAT(44H DAMPF-ERROR. DP/DRHO OF THE STEAM VANISHES. )
DAMPF
FORMAT(50H DAMPF-ERROR. PRESSURE TO LOW FOR A STEAM DENSITY. ) DAMPF
FORMAT(51H DAMPF-ERROR. PRESSURE TO HIGH FOR A STEAM DENSITY. ) DAMPF
RETURN
DAMPF
END
DAMPF

INR105.AQUA.FORT(RDRDP)

SUBROUTINE RDRDP(T,P,RD,RD1P,LCATAD)
RETURNS FOR A GIVEN TEMPERATURE TX AND PRESSURE P
THE DENSITY, RD AND THE DENSITY DERIVATIVE, RD1P = DRD/DP
OF THE STEAM FOR,THE CODESYSTEM IVA3.
94/12/07
Q = PRESSURE IN MEGAPASCALS, D = DENSITY IN G/CM**3
IMPLICIT REAL*8(A-H,0-Z)
LOGICAL LCATAD
COMMON /AKONST/ WM,TC,DC,GASCON,Gl,G2,GF,TZ,UREF,SREF,TLOW
COMMON /REDUF/ G0,S0,Z,P1TO,P1R0,CV0,CPO,ETA,XLAMB,R1T0,CPC,H0
DATA ZERO/0.DO/,UN/1.DO/
LCATAD=.FALSE.
RGAS=GASC0N*1.D3
Q=P*l.D-6
IECCH=0
CALL ONLYT(T,IECCH)
IF(IECCH .NE. 0)
THEN
WRITE(6,9001)
LCATAD=.TRUE.
GO TO 90
ENDIF
CALCULATING THE DENSITY
IF(T .GE. TC)
CALL DGFIND(T,Q,DX,IECCH)
IF(T .LT. TC)
CALL DVFIND(T,Q,DX,IECCH)
IF(IECCH .NE. 0)
THEN
IF(IECCH .LT. 0) WRITE(6,9005)
IF(IECCH .GT. 0) WRITE(6,90O6)
LCATAD=.TRUE.
GO TO 90
ENDIF
RD=DX*1.D3
IF(DX .LT. ZERO)
THEN
WRITE(6,90O2)
LCATAD=.TRUE.

RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
iva

143

50

C
9001
9002
9003
9005
9006
90

J.5

GO TO 90
ENDIF
PROPERTIES AS TEMPERATURE-DENSITY-FUNCTIONS
CALL REDUK(T,DX,IECCH)
IF(P1R0 .EQ. ZERO)
THEN
WRITE(6,9003)
LCATAD=.TRUE.
GO TO 90
ENDIF
P1R=P1R0*T*RGAS
DRHO/DP
RD1P=UN/P1R
FORMAT(33H RDRDP-ERROR. TEMPERATURE TO LOW. )
F0RMAT(54H RDRDP-ERROR. NO STEAM DENSITY FOUND AT THIS PRESSURE.
FORMAT(44H RDRDP-ERROR. DP/DRHO OF THE STEAM VANISHES. )
FORMAT(50H RDRDP-ERROR. PRESSURE TO LOW FOR A STEAM DENSITY. )
F0RMAT(51H RDRDP-ERROR. PRESSURE TO HIGH FOR A STEAM DENSITY. )
RETURN
END

RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
)RDRDP
RDRDP
RDRDP
RDRDP
RDRDP
RDRDP

INR105.AQUA.FORT(VD1)

SUBROUTINE VD1(T,VD,DUMMY)
VDI
VDI CALCULATES - FOR A GIVEN TEMPOERATURE ( T ) IN K VDI
AN APPROXIMATED SPECIFIC VOLUME OF THE SATURATED STEAM ( VD ) VDI
IN M**3/KG. VDI IS A SUBROUTINE OF THE IVA3-C0DE.
94/12/01 VDI
IMPLICIT REAL*8(A-H,0-Z)
VDI
DIMENSION PU(12)
VDI
COMMON /SATIF/ PS,TPSIT,TTPS2T,DL,DV,RL1T0,RV1T0,RHSL,PSL
VDI
=,RHSV,PSV,SL,GL,PL1R0,PL1T0,CVL,ETL,XLL,PV1R0,PVITO,CVV,ETV,XLV VDI
PARAMETER(TC=647.126D0,RHC=0.322D3,RGAS=4.61522D+2,TSW=620.DO)
VDI
PARAMETER(BR=2.03D0,BET=0.325D0)
VDI
DATA PU/-1.125999398D+O,42.15284538D+0,-538.0831O03D+0
VDI
=,4.15O173161D+3,-20.8O947751D+3,71.29507O69D+3,-170.4446088D+3
VDI
=,284.4989747D+3,-325.1357165D+3,242.459309OD+3,-lO6.2552O3OD+3 VDI
=,20.74762670D+3/, UN/1.DO/
VDI
DUMMY = O.DO
VDI
IF(T .GE. TC)
THEN
VDI
DUMMY = -l.DO
VDI
VD = UN/RHC
VDI
RETURN
VDI
ENDIF
VDI
Y = (TC-T)/TC
VDI
IF(T .LE. TSW)
THEN
VDI
C
LOW TEMPERATURES
VDI
C
FACTOR OF REALITY OF THE VAPOR
VDI
W = SQRT(Y)
VDI
CALL SSP(T)
VDI
ZV = PU(12)
VDI
DO 31 1=11,1,-1
VDI
31
ZV = ZV*W+PU(I)
VDI
VD = RGAS*T*ZV/PS
VDI
C
NEAR CRITICAL TEMPERATURES
VDI

C
C
C

144

aqua

ELSE

AV = Y*(1.451962241D-0-Y*(5.041325559D-0-Y*Y*611.18107490-0))
OMV = UN-BR*Y**BET+AV
VD = UN/(RHC*OMV)
ENDIF
RETURN
END

VDI
VDI
VDI
VDI
VDI
VDI
VDI

iva

145

Appendix K.

Service routines

T h e f o l l o w i n g r o u t i n e s a r e n e e d e d only by the ' s t r i n g ' - r o u t i n e s K A I S O T a n d K A I S O K

K.1

INR105.AQUA.FORT(SIGNAT)

S I G N A T c r e a t e s the l a b e l s a n d d i s t i n g u i s h i n g n a m e s for the p r o p e r t i e s c a l c u l a t e d .

T h e first l a b e l of the property, K L A S S E will be set a c c o r d i n g to the T a b l e 38 o n
p a g e 156, the s e c o n d l a b e l , N U M M E R will be e q u a t e d with the date of the c a l c u l a t i o n .

C
C

SUBROUTINE SIGNAT(KLASSE,NUMMER,NAMF,MASF,NEIG)
SIGNAT SETS THE CHARACTERISTICA OF A SERVUS-FUNCTION
THERMAL PROPERTIES
IMPLICIT REAL*8(A-H,0-Z)
DIMENSION NEIG(50)
CHARACTER*8 NAMF,MASF
DATA NR/0/
NUMMER=NAPSZM(NR)
MASF='SI-UNIT'
CALL PG3277
WRITE(6,1000)
KLASSE=MOD(KLASSE,100)
100 WRITE(6,1100) KLASSE
READ(5,*) KLASSE
IF(KLASSE .EQ. 0)
GO TO 999
MP=0
DO 111 1=1,50
IF(NEIG(I) .EQ. 0)
GO TO 190
IF(NEIG(I) .EQ. KLASSE)
GO TO 200
111 MP=MP+1
190 KAPRO = 0
WRITE(6,1300) (NEIG(I),I=1,MP)
GO TO 100
200 IF(KLASSE
= KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
= KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE

.EQ.
.EQ.
.EQ.
.EQ.
.EQ.
.GE.
.EQ.
.EQ.
.EQ.
.EQ.
.EQ.
.EQ.
.EQ.
.EQ.
.GE.

IF(KLASSE .EQ.
IF(KLASSE .EQ.

SIGNAT
SIGNAT
94/12/09 SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
1 .OR. KLASSE .EQ. 2 .OR.
SIGNAT
15 .OR. KLASSE .EQ. 16)
MASF='PASCAL
SIGNAT
3 .OR. KLASSE .EQ. 22)
MASF='PASCAL/K
SIGNAT
4)
MASF='K/PASCAL'
SIGNAT
5)
MASF='K
'
SIGNAT
11 .AND. KLASSE .LE. 13)
MASF='KG/M**3 '
SIGNAT
17)
MASF='M**3/KG '
SIGNAT
18 .OR. KLASSE .EQ. 36)
MASF='- 1 SIGNAT
26 .OR. KLASSE .EQ. 27 .OR.
SIGNAT
45)
MASF='J/KG/K
SIGNAT
31)
MASF='M/SEC '
SIGNAT
32)
MASF='N/M
'
SIGNAT
34)
MASF='PA SEC '
SIGNAT
35)
MASF='W/(K*M) '
SIGNAT
41 .AND. KLASSE .LE. 44)
MASF='J/KG
'
SIGNAT
SIGNAT
1)
NAMF=' P*
SIGNAT
2)
NAMF='P*AX
'
SIGNAT
1

services

147

IF(KLASSE .EQ. 3)
IF(KLASSE .EQ. 4)
IF(KLASSE .EQ. 5)

NAMF= DP*/DT '

NAMF='DT*/DP
NAMF= j*
i

IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE

.EQ. 11)
.EQ. 12)
.EQ. 13)
.EQ. 15)
.EQ. 16)
.EQ. 17)
.EQ. 18)

NAMF= RH????'
NAMF='RHAX????'
NAMF= RHS????'
NAMF=' P????'
NAMF=' PS????'
NAMF=
V????'
NAMF=
Z????'

IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE

.EQ. 21)
.EQ. 22)
.EQ. 23)
.EQ. 24)
.EQ. 26)
.EQ. 27)

NAMF= i PR????'
NAMF='1 PT????'
NAMF=' RHP????'
NAMF= ' RHT????'
NAMF= i cv????
NAMF= ' CP????'

IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE
IF(KLASSE

.EQ. 31)
.EQ. 32)
.EQ. 34)
.EQ. 35)
.EQ. 36)

NAMF= i vs????
NAMF 'SIGMA
NAMF= ETA????'
NAMF= LAM????'
NAMF= ' PRN????'

IF(KLASSE .EQ. 41)

IF(KLASSE .EQ. 42)
IF(KLASSE .EQ. 43)
IF(KLASSE .EQ. 44)
IF(KLASSE .EQ. 45)
IF(KLASSE .EQ. 46)
IF(KLASSE .EQ. 47)
1000 F0RMAT(//44H TABLE OF
=/'
1
=/'

I f

1
1

=I

1
1

NAMF= ' A????'

NAMF= ' G????'
NAMF= ' U????'
NAMF= ' H????'
NAMF= ' S????'
NAMF= ' UR????'
NAMF= ' HP????'
THE PROPERTY-NUMBERS : ( END = 0 )

p*
p*~
DP/DT DT/DP
T*
0
V
P.SP
RH~ RH.SP
P
RH
10
=/' 20
CP
RIT
CV
RIP
PIT
P1R
=/' 30
ETA LAMBDA PRN
SIG
V.S
=/
H
S
U1R
G
U
HIP
A
40
110O F0RMAT(31H ENTER NUMBER OF THE PROPERTY /,I4,5H / =: )
1300 FORMAT(50H ONLY THE FOLLOWING PROPERTIES CAN BE CALCULATED
=/(5X,18(13,:,1H,)))
999 RETURN
END
=/'
=/'

aqua

SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT
SIGNAT

K.2

INR105.AQUA.FORT(MUSTER)

M U S T E R h e l p s to s e l e c t a s a m p l e f u n c t i o n f r o m a S E R V U S dataset.

MUSTER
94/07/29 MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
MUSTER
C
MUSTER
1000 F0RMAT(52H ENTER SERIAL NUMBER OF THE (X,FX)-MASTER-FUNCTION / MUSTER
=,I4,19H / =: ( 0 = END ) )
MUSTER
1100 FORMAT(36H FUNCTION OK =: ( 0 = YES | 9 = NO ) )
MUSTER
1300 FORMAT(45H ENTER BEGIN, END & INCREMENTUM ( 0 = END ) /
MUSTER
=,I3,2H ,,I4,2H ,,I3,16H / = : , = : , = : )
MUSTER
RETURN
MUSTER
END
MUSTER
C

K.3

SUBROUTINE MUSTER(IA,IE,II,NAMT,MAST,NAMF,MASF,*)
SELECTS A SAMPLE FUNCTION F ( T )
IMPLICIT REAL*8(A-H,0-Z)
REAL*8 T(1000),F(1OOO)
CHARACTER*8 NAMT,MAST,NAMF,MASF
COMMON /MUFUN/ T,TMI,TMA,TED,F,FMI,FMA,FED
DATA LOK,LOS/0,0/
100 WRITE(6,1000)
LOS
READ(5,*)
LOS
IF(L0S .LE. 0)
RETURN 1
CALL SDEXG8(KLASSE,NUMMER,MP
=,T,TMI,TMA,TED,NAMT,MAST,F,FMI,FMA,FED,NAMF,MASF,LOS)
WRITE(6,110O)
READ(5,*) LOK
IF(LOK .NE. 0)
GO TO 100
IE=MAX(IE,MP)
120 WRITE(6,1300) IA,IE,II
READ(5,*)
IA,IE,II
IF(IA*IE*II .EQ. 0)
RETURN 1
IE=MIN(IE,MP)
IA=MAX(IA,1)

INR105.AQUA.FORT(NAPSZM)

N A P S Z M t u r n s the a c t u a l date into a n u m b e r , the n u m b e r of the d a y in the y e a r .

INTEGER FUNCTION NAPSZM(K)

REURNS THE NUMBER OF THE DAY
CHARACTER JAN*64
CALL JOBINF(JAN)
NAPSZM=K-K
JUF=1
DO 11 J=32,30,-1
I=ICHAR(JAN(J:J))
IF(I .GT. 240 .AND. I .LT. 250)
11 JUF=JUF*10
RETURN
END

NAPSZM
92/01/13 NAPSZM
NAPSZM
NAPSZM
NAPSZM
NAPSZM
NAPSZM
NAPSZM
NAPSZM=NAPSZM+(I-240)*JUF NAPSZM
NAPSZM
NAPSZM
NAPSZM

services

Appendix L. Return codes

Table 36. Table of return codes, IECCH

IECCH

Reason

density found

-1,-2

p r e s s u r e to low for a d e n s i t y

1, 2

p r e s s u r e to high for a d e n s i t y

iteration f a i l e d

-4

t e m p e r a t u r e to l o w for any d e n s i t y

d e n s i t y too high for a n y t e m p e r a t u r e

Appendix L. Return codes

151

Appendix M. TSO-procedures, calculating thermal properties of the water

AQUA.CLIST

153

Table 37. TSO-procedures in the dataset INR105.AQUA.CL1ST

Member

Routine

Procedure

Dataset needed

WATER

WATER

W a t e r p r o p e r t i e s point by point / r e s u l t s = >

KAISOT

KAISOT

Explores water properties along isochores

AQUAT.DATA

KAISOK

KAISOK

Explores water properties along isotherms

AQUA.DATA

HGK

NBSNRC

HGKIST

HGKIST

Explores water properties along isotherms / H.G.K, code

HGKSAT

HGKSAT

C a l c u l a t e s p r o p e r t i e s in t h e s a t u r a t e d s t a t e s / H . G . K , c o d e

AQUAT.DATA

HGKSPN

HGKSPN

Calculates the spinodals / H.G.K,

AQUAT.DATA

TRNSAT

TRNSAT

C a l c u l a t e s t r a n s p o r t p r o p e r t i e s in t h e s a t u r a t e d s t a t e s

TCORR

$TCORR

C h e c k s the routines T C O R R , G P C O R R

TDFIND

$TDFND

C h e c k s the routines DGFIND, DLFIND, DVFIND

TAXSL

$TAXSL

C h e c k s p r o p e r t i e s in t h e s a t u r a t e d s t a t e s

TW ASSER

$TWSSR

C h e c k s the routine W A S S E R

AQUA.DATA

TDAMPF

$TDMPF

C h e c k s the routine D A M P F

AQUA.DATA

TST01

$TST01

C h e c k s the routine S A E T 0 1

AQUAT.DATA

TSTEX

$TSTEX

C h e c k s the routine S A E T E X

AQUAT.DATA

dataset

W a t e r p r o p e r t i e s point by point / H . G . K , c o d e

code

AQUA.DATA

AQUAT.DATA

AQUAT.DATA

Appendix N. Thermal property labels

labels

155

Table 38. Thermal property labels "KLASSE" used in AQUA.DATA

1

px

dP'/dT

dT/dP*

T*

10

PL

20

dPldp L

30

VsL

40

A.L

G.L

U.L

50

Pv

Pv*

Psv

60

dP/dp v

BP\dJ

dPjdTv

dpIdP

A.V

G.V

dpIdP v

70
80

PL

PSL

U.V

dp/dT

PSL

CvL

VL

H.L

S.L

Pv

dpIdTv

CPL

PrN,

8U/dp L

dH/dP L

Psv

Vy

Cw

Cpv

nv

Xy

PrN,

H.V

s.v

dU/dp v

dH/dP v

10