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NEA-1535 D2O.

D2O, Computation of Thermodynamic and Transport Properties of Heavy Water

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1. NAME OR DESIGNATION OF PROGRAM:  D2O V.1.0
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2. COMPUTERS
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Program name Package id Status Status date
D2O V.1.0 NEA-1535/01 Tested 30-OCT-2000

Machines used:

Package ID Orig. computer Test computer
NEA-1535/01 PC-80486 PC Pentium III 500,Linux-based PC,IBM RISC6000 WS
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3. DESCRIPTION OF PROGRAM OR FUNCTION

  A computer program for the fast computation of the thermodynamic and transport  properties of heavy water (D2O) at saturation, in subcooled liquid and superheated vapor states. Specific volume (or density), specific enthalpy, specific entropy, constant-pressure specific heat and temperature at saturation are calculated by a number of piecewise continuous  approximation functions of (and their derivatives are calculated with respect to) pressure whereas pressure at saturation is calculated by a piecewise continuous approximation function of temperature for heavy water. Density in subcooled liquid state, specific volume in super-heated vapor state, specific enthalpy, specific entropy and constant-pressure specific heat in both of these states are calculated by some piecewise continuous approximation functions of pressure and temperature for heavy water.
The correlations used in the calculation of these thermodynamic properties of heavy water were derived by fitting some appropriate curves to the data given in the steam tables by Hill et al (1981). The whole set of correlations and the approximation method used in their derivation are presented by Durmayaz (1997).
Dynamic viscosity and thermal conductivity for heavy water are calculated as functions of temperature and density with the correlations given by Hill et al (1981), by Matsunaga and Nagashima (1983) and by Kestin et al (1984).
Surface tension for heavy water is calculated as a function of temperature with the correlation given by Crabtree and Siman-Tov (1993).
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4. METHODS

A group of pressure-enthalpy (P-h) pairs can be given in an input data file or assigned in the main program without knowing the state in which fluid takes place. In this case, first, the enthalpies at saturation corresponding to the given pressure are computed. Second, the state is determined by comparing the given enthalpy to the saturation enthalpies. Then, the properties are computed.
Program D2O can also be linked as a subroutine of another main program. In this case, any thermodynamic property at saturation can be computed directly as a function of saturation pressure as well as saturation pressure is determined directly as a function of saturation temperature.  Similarly, if a P-h pair is known in subcooled liquid or superheated vapor state, any thermodynamic or transport property can be computed directly. If a ressure- temperature (P-T) pair is known in subcooled liquid or superheated vapor state, enthalpy can also be computed directly.
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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

The range of use and the maximum error for each correlation of the thermodynamic properties of heavy water are presented by  Durmayaz (1997), and are also given in the statements in the beginning of each function subprogram for each correlation.
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6. TYPICAL RUNNING TIME

Running time depends on the number of the input P-h data pairs and the type of the FORTRAN compiler and computer used. For example, it is about 100 seconds on an IBM/PC-AT compatible 486DX2-66 and about 13 seconds on an IBM/PC-AT compatible Pentium 166 for 7487 input P-h data pairs (records). This sample run includes the reading of the 7487 P-h data pairs from D2OINP.DAT, the fourth test input data file, which also includes the determination of the states, the computation of the thermodynamic and transport properties, the writing of the outputs (14722 records) for superheated vapor into  D2OVOU.DAT file and the writing of the outputs (409 records) for saturated vapor into D2OSOU.DAT file.
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7. UNUSUAL FEATURES

D2O can be used in the two-phase thermalhydraulic system analysis of the nuclear reactors that are cooled and/or moderated by heavy water because the correlations used for the thermodynamic properties in this program are functions of pressure and temperature. Temperature can also be determined by using a root finding algorithm in case pressure and enthalpy are the independent variables.
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8. RELATED OR AUXILIARY PROGRAMS
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9. STATUS
Package ID Status date Status
NEA-1535/01 30-OCT-2000 Tested at NEADB
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10. REFERENCES

- Durmayaz, A.
  Approximate functions for the fast computation of the thermo-   dynamic properties of heavy water.
  Nuclear Engineering and Design, Volume 178 (1997),   pp. 309-329.
- Durmayaz, A.
  A Loss-of Coolant Accident Analysis for Near Stagnation   Flow in   the Horizontal Fuel Channel of CANDU Reactor.
  PhD Thesis, ITU Institute for Nuclear Energy (May 4 1995)
  Istanbul
- Hill, P.G., MacMillan, R.D. and Lee, V.
  Tables of thermodynamic properties of heavy water in S.E Units.
  AECL-7531 (Dec. 1981).
- Kestin, J., Sengers, J.V., Kamgar-Parsi, B. Levelt-Sengers, J.M.H.
  Thermophysical properties of fluid D2O.
  Journal of Physical Chemistry Reference Data, Volume 13 (1984), No.
  2, pp. 601-609.
- Matsunaga, N., Nagashima, A.
  Transport properties of liquid and gases D20 over a wide range of
  temperature and pressure.
  Journal of Physical Chemistry Reference Data, Volume 12 (1983),
  No.4, pp. 933-965.
- Crabtree, A., Siman-Tov, M.
  Thermophysical properties of saturated light and heavy water for
  advances neutron source application.
  ORNL/TM-12322, May 1989
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11. HARDWARE REQUIREMENTS

At least an IBM/PC-AT compatible 486DX2-66 computer with 640K main memory.
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12. PROGRAMMING LANGUAGE(S) USED
Package ID Computer language
NEA-1535/01 FORTRAN-77
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13. SOFTWARE REQUIREMENTS:  MSDOS Ver. 6.22
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14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS
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15. NAME AND ESTABLISHMENT OF AUTHORS

                    Dr Ahmet Durmayaz
                    Institute for Nuclear Energy
                    Istanbul Technical University
                    Maslak, Istanbul, TR-80626
                    TURKEY
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16. MATERIAL AVAILABLE
NEA-1535/01
OUTTP: D20VOU.DAT Sample output data file for propert. in superheated vapour state
SRCTP: COM.BL Common blocks that are included in the source program
SRCTP: D20FOR Source file
DATTP: D20INP.DAT Sample input data file for properties at saturation
OUTTP: D20LOU.DAT Sample output data file for properties in subcooled liquid state
OUTTP: D20SOU.DAT Sample output data file for properties in superheated vapour stat
MISTP: ABSTRACT.DOC Abstract file
MISTP: READ.ME Text file for instructions to users
MISTP: ReadMe.doc File for instructions to users in MS Word Version 7.0
DATTP: D20INP.DAT Third test input data file for prop. in subcooled liquid state
DATTP: D20INP.DAT First input data file for properties in liquid plase at saturatio
DATTP: D20INP.DAT Second input data file for properties in gas phase at saturation
OUTTP: D20SOU.DAT First test outp. data file for prop. in liquid phase at saturatio
OUTTP: D20SOU.DAT Second test outp. data file for prop. in  gas phase at saturation
OUTTP: D20LOU.DAT  3rd test output data file for prop. in subcooled liquid state
OUTTP: D20SOU.DAT 3rd test outp. data files for prop. in liqu. phase at saturation.
OUTTP: D20SOU.DAT Fourth test data output file for prop. at gas phase at saturation
OUTTP: D20VOU.DAT Fourth test output data file for prop. in superheated vapor state
DATTP: D20INP.DAT Fourth test input data file for prop. in superheated vapor stat
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17. CATEGORIES
  • G. Radiological Safety, Hazard and Accident Analysis

Keywords: heavy water, thermodynamic properties.