Lecture 5

Real Gas Properties and

the IAPWS Library

CFX Multiphase for the

Nuclear Industry

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Overview
Training Manual

Real Fluids and Equations of State

IAPWS EOS

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Material Properties: EOS
Training Manual

For real fluids, properties can change over wide range of (T,p)
fluid properties depend on thermodynamic state

Both liquid and gas properties can be functions of temperature and pressure

Volumetric equations of state describe how the densities and heat capacities vary
with T and P (note: heat capacities also require data for the behavior at low
pressures, i.e. ideal gas heat capacities)

Data for variation of transport properties (viscosity, thermal conductivity, etc.) may
also be needed

Equation of state (EOS) types in CFX:

Ideal Gas law
Tabulated data; Real gas property (RGP) tables
Redlich-Kwong EOS
Peng-Robinson EOS
IAPWS EOS
User defined equation of state (CCL, CEL)

User defined materials and material properties

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IAPWS Properties of Water and Steam
Training Manual

IAPWS-IF97 equation-of-state first implemented in ANSYS CFX 11.0

Reference: W. Wagner, A. Kruse:

The Industrial Standard IAPWS-IF97: Properties of Water and Steam, Springer, Berlin, 1998

1. subcooled water
2. supercritical water/steam
3. superheated steam
4. saturation data
5. high temperature steam
(currently not implemented in
IAPWS library in CFX, but
properties at high T, low P can
be evaluated with Ideal Gas
Law)
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IAPWS Properties of Water and Steam
Training Manual

Liquid water and steam selectable from

IAPWS database
CFX uses a look-up table approach for
speed of computation so an appropriate
(T,p) range should be specified and
extrapolation or clipping should be
selected for conditions that lie outside
the range
Library contains data for density, heat
capacity, thermal conductivity, and
viscosity of phases
IAPWS library includes entry for
Homogeneous Binary Mixture for
water/steam pairs as well:
Acts a placeholder for phase pair related
properties, i.e. Tsat=Tsat(p) and =(T)

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Extrapolation and Clipping
Training Manual

If table range values are poorly chosen, then properties may be based on clipped
or extrapolated property data, which can be bad in terms of both robustness and
accuracy
Sometimes the out-of-range errors occur near the start of the run, but go away as
a converged solution is approached. In other cases, if there are conditions in the
simulation which lie outside the table range, the out-of-range messages can
persist through to the final solution
The solver will write out diagnostic messages to the output file with appropriate
suggestions when clipping or extrapolation takes place:

+--------------------------------------------------------------------+
| ****** Notice ****** |
| While evaluating Water.Density, |
| Water.Static Temperature on domain Default Domain |
| went outside of its lower limit. Its minimum value was |
| 3.7300E+02. The bounds error was handled by clipping. |
| If this situation persists, consider increasing the table range. |
+--------------------------------------------------------------------+

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Importing Materials from the IAPWS Library
Training Manual

To import materials from the IAPWS,

right-click on Materials and choose
to Import from Library. On the
Import CCL form, scroll through the list
of available libraries and choose the
IAPWS library.

There are several predefined liquid,

vapor, and homogeneous binary
mixture materials in the IAPWS library.
Since all materials in IAPWS Table Ranges
the library obey the IAPWS EOS, the # T (K) P (Pa)
different materials really just 1 273-450 620100K
Liquid 2 373-700 100K-500K
correspond to different preset
3 273-550 100200K
temperature and pressure
4 420-900 500K-1000K
ranges. The table range can always be Vapor
5 450-900 100K-30000K
modified in CFX-Pre, even for one of
the predefined materials. HBM

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Phase Change Requirements
Training Manual

Equilibrium Phase Change

Requires accurate properties for materials undergoing phase change
Condensing and evaporating flows should include real fluid effects
Must also include accurate saturation properties
Superheated gas properties
Sub-cooled liquid properties
Non-Equilibrium Phase Change
All of the above plus:
Metastable property prediction:
Supersaturated liquids
Supercooled gases
Nucleation and growth models
Finite rate phase change models.
Polydispersed flow (MUSIG or QMOM).

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Real Fluid Properties Summary
Training Manual

Advanced fluids via Corresponding States Principle

Equations (CSP)
IAPWS Steam
built-in, no RGP files necessary
Superheated & supercooled vapors Wetness
Boiling, cavitation, condensation
Redlich Kwong, Aungier Redlich Kwong, Peng
Robinson
Subcooled & supersaturated liquids (beta)
Antoine or accentric factor correlations for vapour
pressure curve
Water specific properties
Industry standard steam tables
IAPWS-IF97 built-in, no RGP files
Highly accurate over large p & T range Supercooling
Superheated vapour, subcooled liquid,
supercritical, saturation properties
Internal Table Generation
Supports metastable states
Lookup table constructed at start of run
(may observe an initial delay before the residual
plot appears)

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Real Fluid Properties
Training Manual

Superheated Vapor Boundaries

T T=Tmax Cubic EOS Library never fails to

Supercritical calculate volume from T & P
Critical
Point
Superheated Vapour Data
pmax Filled in for at p>pcrit for T<Tcrit
pmin
Clipped at meta stable boundary
instead of saturation
Metastable
(spinoidal) vapor
boundary
Subcooled Liquids
T=Tmin
IAPWS IF-97 (water only)
p Peng Robinson
Subcooled Liquid Boundaries
T=Tmax Now clipped at p=pcrit for T>Tcrit
T
Supercritical Clipped at meta stable boundary
Metastable
(spinoidal) liquid
boundary

pmax
Critical
Point

pmin

T=Tmin p
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Real Fluid Properties
Training Manual

Metastable Property Prediction

Necessary for non-equilibrium
models
Supercooled gases T<Tsat(p)
Critical Point
Supersaturated liquids
T>Tsat(p) Liquid Region

Derived from equation of

Supercooled Vapour
state by finding where Boundary

(dp/dv)_T = 0
In reality phase change
occurs long before liquid or
vapour properties even get Supersaturated Liquid
Boundary Vapour Region
close to the metastable
boundary.

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Real Fluid Properties
Training Manual

Locus of points
where (dp/dv)_T = 0

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 Training Manual

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