SimSci

SIM4METhermo 3.8
REFPROP Thermo
Addon Release Notes

May 2014
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REFPROP Thermo Addon Release Notes Page 2

Contents

Purpose and Audience .................................................................................................................................. 4

The REFPROP Addon ..................................................................................................................................... 4
Addon Availability through Products ............................................................................................................ 5
REFPROP and Licensing ................................................................................................................................. 5
Workflow Overview ...................................................................................................................................... 6
Appendix A. Known Issues and Limitations .................................................................................................. 7
Appendix B. List of Supported Fluids in the REFPROP Addon ....................................................................... 8
Appendix C. Supported Properties in the SIM4ME Thermo REFPROP Addon ............................................ 10
Purpose and Audience
This document describes the SIM4ME Thermo REFPROP Addonavailable in TH3.5p (implemented as part
of Thermo 3.6 project cycle). It alsoindicates what items need to be shipped with Products.

The REFPROP Addon

The REFPROP Addon provides a link between SIM4ME Thermo and the REFPROP calculation engine
(refprop.dll) available from NIST. More specifically, the REFPROP Addon has been implemented to be
consistent with REFPROP 9.0. The link provides access to the thermodynamicand transport properties
available from a list of advanced equations of states for a specific list of components.
The following table describes in more detail the three (3) method selections available through the
Addon.

Method Description What it can do

GERG04 Provides access to the GERG-2004
method.
AGA8 Provides access to the AGA-8 method.
NIST23 Provides access to the set of default
methods available in REFPROP. The
REFPROP engine decides which methods
are most suitable for the situation at
hand.
Phase equilibrium calculations; thermodynamic
properties (enthalpy, density, etc.); transport
properties. Supports 18 fluids (think
components).
Thermodynamic properties (enthalpy, density,
etc.); transport properties. Supports 21 fluids
(think components).
Limitation: AGA8 does not calculate phase
equilibrium; it is a vapor phase method.
Phase equilibrium calculations; thermodynamic
properties (enthalpy, density, etc.); transport
properties. Supports 78 fluids (think
components).

REFPROP Thermo Addon Release Notes Page 4

Addon Availability through Products
The REFPROP Addon is shipped with Product installs. Actually, the Addon, the REFPROP engine
(refprop.dll) and a few support programs are bundled into an install kit that Products install as part of
their installation procedure. Once the Addon is installed, the installation remains in effect until the user
initiates the uninstall procedure. The essential details about this follow:
The name of the Addon install kit is RefPropAddonSetup.exe.
The Addoninstall kit is copied to the bin folder in the Product install area. The Product install
takes care of installing the Addon.
Upon installation, the Addon DLL and the REFPROP engine, refprop.dll, both are copied to a
predefined location under Program Files\Common Files. The Addon also is registered as a
COM server.
In addition, the file RefProp.ini is created and copied to a predefined location under All
Users\Application Data. This file tells the Addon where to find refprop.dll and the fluid files
(more on this below).

REFPROP and Licensing

Users can purchase the entire REFPROP package directly from NIST. The Addon install deploys the
REFPROP engine (refprop.dll); this by itself is not sufficient to run the engine. The engine needs the
fluids files that are available in the REFPROP package.
Users, who have not purchased the REFPROP from NIST, can request Invensys for the installation of the
fluid files. Users can go to http://www2.simsci.com/sim4me/esd/login.aspto make a product
requestand look for NIST REFPROP 9.0 Fluid Files. The fluid files will be provided only to the customers
whohave also requested for PRO/II 9.2.
The fluid files should be installed before installing the AddOn. Without the fluid files, the Addon and
engine do not work.
If the Addon is installed prior to the fluid files, the REFPROP Addon configuration should be called
through Start/All Programs/SimSci/RefPropAddOn only after the fluid files are installed.

REFPROP Thermo Addon Release Notes Page 5

Workflow Overview
The REFPROP Addon seamlessly provides access to three thermo methods in the Method tab in SIM4ME
Thermo: NIST23, GERG04 and AGA8.
The NIST23 and GERG04 methods
can be chosen for Equilibrium,
Enthalpy, Entropy, Density and
Transport (any phase in all cases).

The AGA8 method is only available

for vapor phase calculation of
Equilibrium, Enthalpy, Entropy,
Density and Transport.

REFPROP Thermo Addon Release Notes Page 6

Appendix A. Known Issues and Limitations
Users must be aware of the following limitations the REFPROP Addon has with respect to the standalone
REFPROP program from NIST:
Only the REFPROP fluids are supported. The list of supported fluids also varies with each
method. The list of supported fluids is shown in Appendix B.
The fluid files must all be located in the same folder. As explained earlier, the location is saved in
the RefProp.ini file as part of the Addon install step.
Only three thermo methods are supported at this time: NIST23 (the default in REFPROP), GERG-
2004 and AGA-8. Other method variations or combinations available through the standalone
REFPROP application are not supported.
The AGA8 method is only valid for the vapor phase (this is a limitation of AGA8, not the Addon).
Air cannot be mixed with other pure components to form a mixture. Air must be used as the
only component in the component slate.
Air is the only pseudo pure fluid supported at this time.
The predefined mixtures in REFPROP are not supported at this time.
The SIM4ME Thermo Addon does not support direct calls to the various REFPROP flash
algorithms.
Note: PRO/II software version 9.1 and later can call the REFPROP flash directly.
Re-initialization of REFPROP occurs every time the ThermoSet changes. Dynsim users in
particular need to monitor performance as this is a behavior that SIM4ME Thermo cannot by-
pass.

REFPROP Thermo Addon Release Notes Page 7

Appendix B. List of Supported Fluids in the REFPROP Addon
The following table shows the list of supported components for each method and the corresponding
fluid files.

NIST2 GERG- AGA-

IOM # IOM Name Long Name Formula Fluid File 3 04 8
11010010 1BUTENE 1-BUTENE C4H8 1BUTENE.FLD Yes No No
13010010 ACETONE ACETONE C3H6O ACETONE.FLD Yes No No
16020010 AIR AIR Mixture AIR.PPF Yes No No
16020020 AMMONIA AMMONIA NH3 AMMONIA.FLD Yes No No
19010030 ARGON ARGON Ar ARGON.FLD Yes Yes Yes
12010010 BENZENE BENZENE C6H6 BENZENE.FLD Yes No No
9010010 BUTANE n-BUTANE C4H10 BUTANE.FLD Yes Yes Yes
9050010 DODECANE n-DODECANE C12H26 C12.FLD Yes No No
11010020 C2BUTENE cis-2-BUTENE C4H8 C2BUTENE.FLD Yes No No
8030062 PFC4 DECAFLUOROBUTANE C4F10 C4F10.FLD Yes No No
8030069 PFPENTAN PERFLUOROPENTANE C5F12 C5F12.FLD Yes No No
16020050 CO CARBON MONOXIDE CO CO.FLD Yes Yes Yes
16020040 CO2 CARBON DIOXIDE CO2 CO2.FLD Yes Yes Yes
15010020 CRBLSULF CARBONYL SULFIDE COS COS.FLD Yes No No
10030010 CH CYCLOHEXANE C6H12 CYCLOHEX.FLD Yes No No
10010001 CYPROPAN CYCLOPROPANE C3H6 CYCLOPRO.FLD Yes No No
16020085 DEUTRIUM DEUTERIUM D2 D2.FLD Yes No No
16020086 DTRIUMOX DEUTERIUM OXIDE D2O D2O.FLD Yes No No
9040010 DECANE n-DECANE C10H22 DECANE.FLD Yes No Yes
6010040 DMETHER DIMETHYL ETHER C2H6O DME.FLD Yes No No
9010050 ETHANE ETHANE C2H6 ETHANE.FLD Yes Yes Yes
2010060 EA ETHANOL C2H6O ETHANOL.FLD Yes No No
11010040 ETHYLENE ETHYLENE C2H4 ETHYLENE.FLD Yes No No
19010200 FLUORINE FLUORINE F2 FLUORINE.FLD Yes No No
16020140 HYSULFID HYDROGEN SULFIDE H2S H2S.FLD Yes No Yes
16020088 HE4 HELIUM-4 He HELIUM.FLD Yes Yes Yes
9020130 HEPTANE n-HEPTANE C7H16 HEPTANE.FLD Yes Yes Yes
9010060 HEXANE n-HEXANE C6H14 HEXANE.FLD Yes Yes Yes
16020090 HYDROGEN HYDROGEN H2 HYDROGEN.FLD Yes Yes Yes
11010060 IBTE ISOBUTENE C4H8 IBUTENE.FLD Yes No No
9010100 2MPENTAN 2-METHYLPENTANE C6H14 IHEXANE.FLD Yes No No
9010080 IPENTANE ISOPENTANE C5H12 IPENTANE.FLD Yes Yes Yes
9010070 IBUTANE ISOBUTANE C4H10 ISOBUTAN.FLD Yes Yes Yes
19010370 KRYPTON KRYPTON Kr KRYPTON.FLD Yes No No
9010090 METHANE METHANE CH4 METHANE.FLD Yes Yes Yes
2010120 METHALC METHANOL CH4O METHANOL.FLD Yes No No
16020167 NITRSOXD NITROUS OXIDE N2O N2O.FLD Yes No No
19010500 NEON NEON Ne NEON.FLD Yes No No
9010040 22PR NEOPENTANE C5H12 NEOPENTN.FLD Yes No No
16020165 NITRIF NITROGEN TRIFLUORIDE NF3 NF3.FLD Yes No No
16020160 NITROGEN NITROGEN N2 NITROGEN.FLD Yes Yes Yes
9030100 NONANE n-NONANE C9H20 NONANE.FLD Yes No Yes
9020210 OCTANE n-OCTANE C8H18 OCTANE.FLD Yes Yes Yes
16020170 OXYGEN OXYGEN O2 OXYGEN.FLD Yes Yes Yes
16020091 H2PARA HYDROGEN (para) H2 PARAHYD.FLD Yes No No
9010120 PENTANE n-PENTANE C5H12 PENTANE.FLD Yes Yes Yes
9010130 PROPANE PROPANE C3H8 PROPANE.FLD Yes Yes Yes
11010160 PROPENE PROPYLENE C3H6 PROPYLEN.FLD Yes No No
11070030 MACETYLN PROPYNE C3H4 PROPYNE.FLD Yes No No
TRICHLOROFLUOROMETHAN
8030135 R11 E CCl3F R11.FLD Yes No No
1,1,2-
TRICHLOROTRIFLUOROETHA
8030155 R113 NE C2Cl3F3 R113.FLD Yes No No
1,2-
DICHLOROTETRAFLUOROET
8030039 R114 HANE C2Cl2F4 R114.FLD Yes No No

REFPROP Thermo Addon Release Notes Page 8

 NIST2 GERG- AGA-
IOM # IOM Name Long Name Formula Fluid File 3 04 8
CHLOROPENTAFLUOROETH
8030034 R115 ANE C2ClF5 R115.FLD Yes No No
8030056 R116 HEXAFLUOROETHANE C2F6 R116.FLD Yes No No
DICHLORODIFLUOROMETHA
8030032 R12 NE CCl2F2 R12.FLD Yes No No
2,2-DICHLORO-1,1,1-
8030043 11DCLTFE TRIFLUOROETHANE C2HCl2F3 R123.FLD Yes No No
2-CHLORO-1,1,1,2-
8030041 R124 TETRAFLUOROETHANE C2HClF4 R124.FLD Yes No No
8030031 R125 PENTAFLUOROETHANE C2HF5 R125.FLD Yes No No
CHLOROTRIFLUOROMETHAN
8030035 R13 E CClF3 R13.FLD Yes No No
1,1,1,2-
8030085 R134A TETRAFLUOROETHANE C2H2F4 R134A.FLD Yes No No
8030015 R14 CARBON TETRAFLUORIDE CF4 R14.FLD Yes No No
1,1-DICHLORO-1-
8030021 R141B FLUOROETHANE C2H3Cl2F R141B.FLD Yes No No
1-CHLORO-1,1-
8030018 CFFE DIFLUOROETHANE C2H3ClF2 R142B.FLD Yes No No
8030156 R143 1,1,1-TRIFLUOROETHANE C2H3F3 R143A.FLD Yes No No
8020164 R152A 1,1-DIFLUOROETHANE C2H4F2 R152A.FLD Yes No No
8030033 R21 DICHLOROFLUOROMETHANE CHCl2F R21.FLD Yes No No
8030072 PFC3 OCTAFLUOROPROPANE C3F8 R218.FLD Yes No No
8030020 R22 CHLORODIFLUOROMETHANE CHClF2 R22.FLD Yes No No
8030046 CHF3 TRIFLUOROMETHANE CHF3 R23.FLD Yes No No
8020173 DIFM DIFLUOROMETHANE CH2F2 R32.FLD Yes No No
8010166 MEFL METHYL FLUORIDE CH3F R41.FLD Yes No No
OCTAFLUOROCYCLOBUTAN
8030053 R318 E C4F8 RC318.FLD Yes No No
16020188 SULFHXF SULFUR HEXAFLUORIDE SF6 SF6.FLD Yes No No
16020190 SULFDIOX SULFUR DIOXIDE SO2 SO2.FLD Yes No No
11010030 T2BUTENE trans-2-BUTENE C4H8 T2BUTENE.FLD Yes No No
12010070 TOLUENE TOLUENE C7H8 TOLUENE.FLD Yes No No
16020200 H2O WATER H2O WATER.FLD Yes Yes Yes
19010730 XENON XENON Xe XENON.FLD Yes No No

REFPROP Thermo Addon Release Notes Page 9

Appendix C. Supported Properties in the SIM4ME
ThermoREFPROPAddon
A summary of supported functionality in the REFPROPAddon follows. This is what the Applications can
get through the Addon.

Base properties Thermo and Transport:

Z U Viscosity
ln PHI i S Thermal Conductivity
H Rho Surface Tension

Derivatives that we expose but actually calculate numerically Thermo and Transport:

Equilibrium Enthalpy Internal Energy

d(lnPHIi) / dT d(H) / dT d(U) / dT
d2(lnPHIi) / dT2 d2(H) / dT2 d2(U) / dT2
d2(lnPHIi) / dTdP d2(H) / dTdP d2(U) / dTdP
d3(lnPHIi) / dT2 dP d2(H) / dTdnj d2(U) / dTdnj
d2(lnPHIi) / dTdnj d(H) / dP d(U) / dP
d3(lnPHIi) / dT3 d2(H) / dP2 d2(U) / dP2
d3(lnPHIi) / dT2 dnj d2(H) / dPdnj d2(U) / dPdnj
d3(lnPHIi) / dTdPdnj d(H) / dnj d(U) / dnj
d(lnPHIi) / dP d2(H) / dnjdnk dn(U) / dnj
d2(lnPHIi) / dP2 dn(H) / dnj d2(U) / dN2
d3(lnPHIi) / dT dP2 dn[dn(H) / dnj] / dnk
d2(lnPHIi) / dPdnj d[dn(H) / dnj] / dT
dn(lnPHIi) / dnj d[dn(H) / dnj] / dP
d3(lnPHIi) / dTdnjdnk
dn[dn(lnPHIi) / dnj] / dnk

REFPROP Thermo Addon Release Notes Page 10

 Entropy Density
d(S) / dT d(RHO) / dT
d2(S) / dT2 d2(RHO) / dT2
d2(S) / dTdP d2(RHO) / dTdP
d2(S) / dTdnj d2(RHO) / dTdnj
d(S) / dP d(RHO) / dP
d2(S) / dP2 d2(RHO) / dP2
d2(S) / dPdnj d2(RHO) / dPdnj
d(S) / dnj d(RHO) / dnj
d2(S) / dnjdnk d2(RHO) / dnjdnk
dn(S) / dnj
dn[dn(S) / dnj] / dnk
d[dn(S) / dnj] / dT
d[dn(S) / dnj] / dP

Viscosity Thermal Conductivity Surface Tension

d(VISC) / dT d(COND) / dT d(SURF) / dT
d(VISC) / dP d(COND) / dP d(SURF) / dP
d(VISC) / dnj d(COND) / dnj d(SURF) / dnj
dn(VISC) / dnj dn(COND) / dnj dn(SURF) / dnj

REFPROP Thermo Addon Release Notes Page 11

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