Calculation of The Thermodynamic Properties of Water Using The Iapws Model

18/2/2018 CALCULATION OF THE THERMODYNAMIC PROPERTIES OF WATER USING THE IAPWS MODEL
Journal of the Chilean Chemical Society Servicios Personalizados

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J. Chil. Chem. Soc. v.51 n.2 Concepción jun. 2006
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J. Chil. Chem. Soc., 51, Nº 2 (2006) , pags: 891-900
CALCULATION OF THE THERMODYNAMIC PROPERTIES OF WATER

USING THE IAPWS MODEL
MIGUEL ALVAREZ CH.1*, SALVADOR BARBATO R.2
1Department of Chemical Engineering, Engineering Faculty, Universidad de Antofagasta, Antofagasta,

Chile,
2Department of Chemistry, Basic Sciences Faculty, Universidad de Antofagasta, Antofagasta, Chile,
ABSTRACT
Beginning in 2000 the International Association for the Properties of Water and Steam (IAPWS)
recommended the use of a new model for calculation of the thermodynamic properties of water and
steam. This new model, termed IAPWS-IF97, was adopted beginning in 1997, but an evaluation and
changeover period
https://scielo.conicyt.cl/scielo.php?script=sci_arttext&pid=S0717-97072006000200012 1/13
was recommended before replacing the current model which had been developed in the 1960's (IFC-67) .
The latter model had been used for 30 years for the calculation of thermodynamic properties of water for
industrial, scientific, and academic applications. The new model is oriented toward facilitating calculations
employing computers, improving accuracy, and improving consistency among the model's limiting regions
as well as contributing towards improved process design and simulation . This paper presents the IAPWS-
IF97 model in summarized form, and results obtained in applying it to the thermodynamic properties of
water, including enthalpy, entropy, internal energy, and volume, in the states of compressed liquid, liquid-
vapor equilibrium, and superheated steam, using calculation algorithms developed using common,
universally available computational techniques.
Keywords: thermodynamic properties, water and steam, calculation algorithms
1. INTRODUCTION
In the decade of the 1960's a model was formulated for the calculation of thermodynamic properties of
water for industrial use, and was known as the IFC-67 model. This model was developed from a variety of
experimental data available for H2O, which is the most abundant chemical compound in nature and also
the most often used reagent in the chemical industry. Model IFC-67 was tested and recognized as reliable
for the calculation of the thermodynamic properties of water. A great number of tables and diagrams
existing in the literature, as well as computerized calculation programs were based on this model.
The model was, however, was not easy to use. It required division of the area of validity of its equations
into five different regions due to the complexity of the behavior of the thermodynamic properties of water.
Each region requires the use of different equations, and furthermore the basic thermodynamic model
chosen in relation to the interdependence of properties is not the same for each region.
Based on these considerations, beginning in the decade of the 1980's, the International Association for the
Properties of Water and Steam (IAPWS) decided to promote the development of a new series of
investigations directed towards obtaining a new formulation for a model for the calculation of
thermodynamic properties of water and steam, which was officially adopted in 1997 termed the "IAPWS
Industrial Formulation 1997 for the Thermodynamic Properties of Water and Steam", subsequently known
as IAPWS-IF97. The new model was considered officially valid beginning in 1997, but due to the need for
modifying existing design procedures and computational program codes, the IAPWS recommended an
introductory period lasting at least until the end of 1999 during which IAPWS-IF97 was not officially
mandated.
2. THE IAPWS-IF97 MODEL

The IAPWS-IF97 model consists of a group of equations for a group of five graphical regions representing
thermodynamic properties of water, and valid in the following ranges:
P < 100 Mpa, 273.15 K < T < 1073.15 K

P < 10 Mpa, 1073.15 K < T < 2273.15 K
Figure 1 shows the ranges within which the equations are valid, and the regions into which each range has
been divided. Although the number of regions in the new model coincides with number in the previous
model, some differences exist in the form in which the IFC-67 and IAPWS-IF97 models define the different
regions. Table 1 summarizes some of the constants and properties used in the model.
Table 1: Constants and properties of water
Description Symbol Value Units
Gas constant Rm 8.314 51 J mol-1 K-1

Gas constant for water R 0.461 526 kJ kg-1 K-1
Molecular weight M 18.015 257 G mol-1
Critical temperature Tc 647.096 K
Critical pressure pc 22.064 MPa
Critical density rrc 322 kg m-3
Triple point temperature Tt 273.16 K
Triple point pressure pt 611.657 Pa
Normal boiling point Tb 373.124 3K
2.1 Region 1 Equations
The basic equation for Region 1 is an equation for the Gibbs free energy g, expressed in the adimensional
form:
(1)
where:
p* = 16.53 Mpa
T* = 1386 K
ni, Ii, Ji = IAPWS coefficients and exponents included in Table 4.
Equation 1 covers the following ranges of pressure and temperature in Region 1 as shown in Fig. 1:
273.15 K < T d" 623.15

ps(T) < p < 100 MPa
Where ps(T) represents the pressure at saturation, Region 4 in Fig. 1, and can be obtained from the
equations representing this region included in section 2.4.
All the thermodynamic properties can be derived from equation 1 following the equations outlined in Tables
2 and 3.
Table 2: Thermodynamic relations related to Gibbs free energy g and the corresponding
adimensional equations.
Table 3: Derived from g used in equations of Table 1 .
Table 4: IAPWS coefficients and exponents of equation 1.
For Region 2 the model is also based on Gibbs free energy g. The equation is expressed in adimensional
form, and is separated into two parts, one for the ideal gas g 0 and the other residual g r, that is:
(2)
The equations for the ideal gas and for the residual part are:
(3)
(4)
where:
p* = 1MPa
T* = 540 K
ni0, Ji0 = IAPWS coefficients and exponents included in Table 5.
Equation 2 covers the following ranges of pressure and temperature of Region 2 as shown Fig. 1:
273.15 K < T < 623.15 < p < ps(T) Ec.(12)

0
623.15 K < T d" 863.15 0 < p < p(T) Ec.(8)
863.15 K < T d" 1073.15 0 < p < 100 MPa
All the thermodynamic properties for this region can be derived from equations 2, 3, and 4 following the
equations outlined in Tables 1 and 2. In this case it must be considered that the equations of Table 2 must
be applied both to the ideal part and to the residual part of the model. Thus, for example:
(5)
where:
(6)
(7)
The limit between regions 2 and 3 is given by a quadratic equation for the pressure as a function of the
temperature:
(8)
where:
p* = 1 MPa
T* = 1 K
ni = IAPWS coefficients included in Table 7.
Table 7: IAPWS coefficients of equations 8 and 9.
This equation can also be expressed in explicit form as the temperature as a function of the pressure in
the following form:
(9)
where:
ni = IAPWS coefficients included in Table 7.
The basic equation for Region 3 differs from those of Regions 1 and 2 since it is an equation for the
Helmholtz free energy f, which, expressed in adimensional form is:
(10)
where:
The equation for Region 3 covers the following ranges of temperature and pressure as shown in Fig. 1.
623.15 K <= T <= T(p) Ec(9)
p(T) Ec(8) < p <= 100Mpa

All the thermodynamic properties can be derived from equation 7 according to the equations summarized
in Tables 8 and 9.
Table 8: Thermodynamic relations with the Helmholz free energy f and the corresponding
adimensional equations.
Table 9: Derivatives of f used in the equations of Table 8.
Region 4 represents a saturation curve. This equation is presented as one which is implicit for the
saturation curve and its form allows it to be resolved indistinctly in an explicit form both for the saturation
pressure ps as for the saturation temperature Ts, which permits choosing the model most useful for
calculation requirements.
(11)
where:
The explicit form of the equation for the saturation pressure is therefore:
The equation completely covers the range of the liquid-vapor saturation curve from the triple-point
temperature to the critical point, as:
273.16 K < = Ts < = 647.096
Table 11: IAPWS coefficients and exponents of the equation.
Region 5 is one of high temperature, and the basic equation for this region is based on the Gibbs free
energy g in its adimensional form, and is separated into two parts, one for the ideal gas g 0 and the other
the residual g r, similar to the model used in Region 2, as:
(13)
The equations for the ideal gas and the residual part are:
(14)
(15)
Equation 2 covers the following ranges of pressure and temperature of Region 5 as shown in Figure 1.
1073.15 K d" T d" 2273.15 K 0 < p d" 10 MPa

3. RESULTS
The above described model was used for developing computational programs for the Windows
98/NT/2000/XP platform, using three alternatives as a programming language, including:
· VisualBasic Language
· Pascal Language
· C Language
One reason for the choice of these three languages was because they have different options for the
variables which can be handled, which can subsequently affect the accuracy of the results. This is due, as
can be seen from the tables containing the parameters of the model, that these parameters contain large
numbers of significant figures. Another reason that justifies the choice of these languages is that at
present they are extraordinarily common and easy to access. The version of the VisualBasic language used
was termed VBA (VisualBasic for Applications), which is included in the menu of calculations in Excel and
accessible to any user who has the Microsoft Office® package (more data on the programs should be
solicited from the electronic addresses of their authors).
These programs are used to carry out calculations for different conditions of pressure and temperature and
the different states of water. The values obtained for the different thermodynamic properties used in the
model have been compared with values obtained from our bibliography. These results are listed in Tables
14, 15, and 16.
Table 14: Compressed liquid. In the columns, each upper value represents the
result of calculations carried out using the model, and the lower value those
obtained from our bibliography.
Table 15: Liquid and saturated vapor. In the columns, each upper value represents the
result of calculations carried out using the model, and the lower value those obtained
from our bibliography.
Table 16: Superheated steam. In the columns, each upper value represents the result
of calculations carried out using the model, and the lower value those obtained from our
bibliography.
4. CONCLUSIONS
4.1 The model represents the thermodynamic properties of H2O with great accuracy.
4.2 The model represents important advantages from the computational perspective: it is easy to
calculate, does not present problems of iteration, and the calculations are executed quickly.
4.3 The equations for the different regions continuously cover the ranges of variables, making
interpolation unnecessary .
4.4 The different computer languages used are capable of adequately managing the accuracy required by
the model; 16-bit integers can be used for the integral variables, and double-precision 64 bit
numbers for the floating point variables.
4.5 The fact that a simple and easily accessible language such as VBA is capable of adequately handling
the model is especially relevant, as the calculations can be carried out from an electronic menu with
VBA extensions.
4.6 The model is capable of reproducing the tables for the properties of water over its entire range.
4.7 Since the parameters of the model are the result of mathematical adjustments, all the significant
figures of the parameters must be conserved in order to maintain the accuracy of the calculations.
This number of significant figures should not be mistaken for the significant figures of the properties
calculated.
ACKNOWLEDGEMENTS
The authors thank the International Association for the Properties of Water and Steam (IAPWS) for
authorization granted for the use and publication of the IAPWS coefficients and exponents of the IAPWS-
IF97 model.
REFERENCES
1. Preston-Thomas, H., 1990, "The International Temperature Scale of 1990 (ITS-90)", Metrologia, Vol 27,
pp. 3-10 [ Links ]
2. Setzman, U., and Wagner, W., 1989, "A New Method for Optimizing the Structure of Thermodynamic
Correlation Equations", Int. J. Thermophysics, Vol 10, pp 1103-1126. [ Links ]
3. Wagner, W., Cooper, J.R., et al, 2000, "The IAPWS Industrial Formulation 1997 for the Thermodynamic
Properties of Water and Steam", Journal of Eng. For Gas Turbines and Power, Vol. 122, pp. 150-182.
[ Links ]
4. Perry, R. H., 1992, "Chemical Engineers' Handbook", McGraw-Hill [ Links ]
e-mail: malvarez@vantof.cl
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18/2/2018 CALCULATION OF THE THERMODYNAMIC PROPERTIES OF WATER USING THE IAPWS MODEL

Journal of the Chilean Chemical Society Servicios Personalizados

Referencias del artículo

Como citar este artículo

J. Chil. Chem. Soc., 51, Nº 2 (2006) , pags: 891-900

CALCULATION OF THE THERMODYNAMIC PROPERTIES OF WATER

MIGUEL ALVAREZ CH.1*, SALVADOR BARBATO R.2

1Department of Chemical Engineering, Engineering Faculty, Universidad de Antofagasta, Antofagasta,

Keywords: thermodynamic properties, water and steam, calculation algorithms

2. THE IAPWS-IF97 MODEL

P < 100 Mpa, 273.15 K < T < 1073.15 K

Table 1: Constants and properties of water

Description Symbol Value Units

Gas constant Rm 8.314 51 J mol-1 K-1

2.1 Region 1 Equations

ni, Ii, Ji = IAPWS coefficients and exponents included in Table 4.

273.15 K < T d" 623.15

Table 3: Derived from g used in equations of Table 1 .

Table 4: IAPWS coefficients and exponents of equation 1.

2.2 Region 2 Equations

ni0, Ji0 = IAPWS coefficients and exponents included in Table 5.

Table 5: IAPWS coefficients and exponents of equation 3.

ni, Ii, Ji = IAPWS coefficients and exponents included in Table 6.

Table 6: IAPWS coefficients and exponents of equation 4.

273.15 K < T < 623.15 < p < ps(T) Ec.(12)

ni = IAPWS coefficients included in Table 7.

Table 7: IAPWS coefficients of equations 8 and 9.

ni = IAPWS coefficients included in Table 7.

2.3 Region 3 Equations

ni, Ii, Ji = IAPWS coefficients and exponents included in Table 10.

623.15 K <= T <= T(p) Ec(9)

p(T) Ec(8) < p <= 100Mpa

Table 9: Derivatives of f used in the equations of Table 8.

Table 10: IAPWS coefficients and exponents of equation 7.

2.4 Region 4 Equations

273.16 K < = Ts < = 647.096

Table 11: IAPWS coefficients and exponents of the equation.

2.5 Region 5 Equations

1073.15 K d" T d" 2273.15 K 0 < p d" 10 MPa

Table 13: IAPWS coefficients and exponents of the equation.

4. Perry, R. H., 1992, "Chemical Engineers' Handbook", McGraw-Hill [ Links ]

Paicaví 170, Depto. 19

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