mirror of
https://github.com/Cantera/cantera.git
synced 2025-02-25 18:55:29 -06:00
Added a test for WaterTP
This commit is contained in:
Harry Moffat
@@ -17,6 +17,7 @@ ifeq ($(test_electrolytes),1)
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cd testIAPWSPres; @MAKE@ all
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cd testIAPWSTripP; @MAKE@ all
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cd testWaterPDSS; @MAKE@ all
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cd testWaterTP; @MAKE@ all
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endif
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test:
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@@ -29,6 +30,7 @@ ifeq ($(test_electrolytes),1)
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cd testIAPWSPres; @MAKE@ test
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cd testIAPWSTripP; @MAKE@ test
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cd testWaterPDSS; @MAKE@ test
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cd testWaterTP; @MAKE@ test
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endif
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clean:
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@@ -39,6 +41,7 @@ clean:
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cd testIAPWSPres; @MAKE@ clean
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cd testIAPWSTripP; @MAKE@ clean
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cd testWaterPDSS; @MAKE@ clean
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cd testWaterTP; @MAKE@ clean
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depends:
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ifeq ($(test_issp),1)
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@@ -50,4 +53,5 @@ ifeq ($(test_electrolytes),1)
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cd testIAPWSPres; @MAKE@ depends
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cd testIAPWSTripP; @MAKE@ depends
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cd testWaterPDSS; @MAKE@ depends
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cd testWaterTP; @MAKE@ depends
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endif
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11
test_problems/cathermo/testWaterTP/.cvsignore
Normal file
11
test_problems/cathermo/testWaterTP/.cvsignore
Normal file
@@ -0,0 +1,11 @@
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testIAPWSphi
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Makefile
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output.txt
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outputa.txt
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*.d
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.depends
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csvCode.txt
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diff_test.out
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test.diff
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test.out
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testWaterTP
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112
test_problems/cathermo/testWaterTP/Makefile.in
Normal file
112
test_problems/cathermo/testWaterTP/Makefile.in
Normal file
@@ -0,0 +1,112 @@
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#!/bin/sh
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############################################################################
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#
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# Makefile to compile and link a C++ application to
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# Cantera.
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#
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#############################################################################
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# addition to suffixes
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.SUFFIXES : .d
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# the name of the executable program to be created
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PROG_NAME = testWaterTP
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# the object files to be linked together. List those generated from Fortran
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# and from C/C++ separately
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OBJS = testWaterTP.o
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# Location of the current build. Will assume that tests are run
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# in the source directory tree location
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src_dir_tree = 1
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# additional flags to be passed to the linker. If your program
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# requires other external libraries, put them here
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LINK_OPTIONS = @EXTRA_LINK@
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#############################################################################
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# Check to see whether we are in the msvc++ environment
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os_is_win = @OS_IS_WIN@
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# Fortran libraries
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FORT_LIBS = @FLIBS@
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# the C++ compiler
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CXX = @CXX@
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# C++ compile flags
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ifeq ($(src_dir_tree), 1)
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CXX_FLAGS = -DSRCDIRTREE @CXXFLAGS@
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else
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CXX_FLAGS = @CXXFLAGS@
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endif
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# Ending C++ linking libraries
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LCXX_END_LIBS = @LCXX_END_LIBS@
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# the directory where the Cantera libraries are located
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CANTERA_LIBDIR=@buildlib@
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# required Cantera libraries
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CANTERA_LIBS = @LOCAL_LIBS@ -lctcxx
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# the directory where Cantera include files may be found.
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ifeq ($(src_dir_tree), 1)
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CANTERA_INCDIR=../../../Cantera/src
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INCLUDES=-I$(CANTERA_INCDIR) -I$(CANTERA_INCDIR)/thermo
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else
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CANTERA_INCDIR=@ctroot@/build/include/cantera
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INCLUDES=-I$(CANTERA_INCDIR) -I$(CANTERA_INCDIR)/kernel
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endif
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# flags passed to the C++ compiler/linker for the linking step
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LCXX_FLAGS = -L$(CANTERA_LIBDIR) @LOCAL_LIB_DIRS@ @CXXFLAGS@
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# How to compile C++ source files to object files
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.@CXX_EXT@.@OBJ_EXT@:
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$(CXX) -c $< $(INCLUDES) $(CXX_FLAGS)
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# How to compile the dependency file
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.cpp.d:
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g++ -MM $(INCLUDES) $(CXX_FLAGS) $*.cpp > $*.d
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# List of dependency files to be created
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DEPENDS=$(OBJS:.o=.d)
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# Program Name
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PROGRAM = $(PROG_NAME)$(EXE_EXT)
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all: $(PROGRAM) .depends
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$(PROGRAM): $(OBJS) $(CANTERA_LIBDIR)/libcantera.a \
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$(CANTERA_LIBDIR)/libcaThermo.a
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$(CXX) -o $(PROGRAM) $(OBJS) $(LCXX_FLAGS) $(LINK_OPTIONS) \
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$(CANTERA_LIBS) @LIBS@ $(FORT_LIBS) \
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$(LCXX_END_LIBS)
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# depends target -> forces recalculation of dependencies
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depends:
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@MAKE@ .depends
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.depends: $(DEPENDS)
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cat $(DEPENDS) > .depends
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# Do the test -> For the windows vc++ environment, we have to skip checking on
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# whether the program is uptodate, because we don't utilize make
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# in that environment to build programs.
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test:
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ifeq ($(os_is_win), 1)
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else
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@MAKE@ $(PROGRAM)
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endif
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./runtest
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clean:
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$(RM) $(OBJS) $(PROGRAM) $(DEPENDS) .depends
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../../../bin/rm_cvsignore
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(if test -d SunWS_cache ; then \
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$(RM) -rf SunWS_cache ; \
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fi )
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11
test_problems/cathermo/testWaterTP/README
Normal file
11
test_problems/cathermo/testWaterTP/README
Normal file
@@ -0,0 +1,11 @@
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This test is used to make sure that the basic functions in
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the water property routine satisfy tests
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specified in the paper:
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W. Wagner, A. Prub, "The IAPWS Formulation 1995 for the
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Thermodynamic Properties of Ordinary Water Substance
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for General and Scientific Use," J. Phys. Chem.
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Ref. Data, v. 31, 387 - 442, 2002.
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This routine exercises the saturation pressure routine.
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39
test_problems/cathermo/testWaterTP/output_blessed.txt
Normal file
39
test_problems/cathermo/testWaterTP/output_blessed.txt
Normal file
@@ -0,0 +1,39 @@
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s = 188835
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h = -2.41826e+08
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psat(273.16) = 611.655
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Comparisons to NIST: (see http://webbook.nist.gov):
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H0(298.15) = -2.41826e+08 J/kmol
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S0(298.15) = 188835 J/kmolK
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Ideal Gas Standard State:
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T Cp0 S0 -(G0-H298)/T H0-H298
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(K) (J/molK) (J/molK) (J/molK) (kJ/mol)
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298.15 33.5873 188.835 188.835 0
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500 35.2263 206.535 192.686 6.92447
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600 36.3249 213.053 195.551 10.5013
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1000 41.2673 232.739 206.738 26.0001
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H_liq(298.15, onebar) = -2.85838e+08 J/kmol
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S_liq(298.15, onebar) = 69922.4 J/kmolK
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Liquid 1bar or psat Standard State
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T press psat Cp0 S0 -(G0-H298)/T H0-H298
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(K) (bar) (bar) (J/molK) (J/molK) (J/molK) (kJ/mol)
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273.19 1 0.00612989 76.0121 63.3157 70.2194 -1.88603
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298.15 1 0.0316993 75.3276 69.9224 69.9224 2.38419e-13
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300 1 0.0353681 75.3153 70.3884 69.9239 0.139344
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373.15 1.01621 1.01418 75.9465 86.857 71.6855 5.66125
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400 2.46261 2.45769 76.6642 92.1544 72.8766 7.71115
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500 26.4447 26.392 84.0126 109.805 78.4402 15.6825
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Liquid Densities:
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T press psat Density molarVol
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(K) (bar) (bar) (kg/m3) (m3/kmol)
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273.19 1 0.00612989 999.845 0.0180181
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298.15 1 0.0316993 997.047 0.0180686
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300 1 0.0353681 996.556 0.0180775
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373.15 1.01621 1.01418 958.349 0.0187982
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400 2.46261 2.45769 937.486 0.0192166
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500 26.4447 26.392 831.318 0.0216707
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33
test_problems/cathermo/testWaterTP/runtest
Executable file
33
test_problems/cathermo/testWaterTP/runtest
Executable file
@@ -0,0 +1,33 @@
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#!/bin/sh
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#
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#
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temp_success="1"
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/bin/rm -f output.txt outputa.txt
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testName=testWaterTP
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#################################################################
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#
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#################################################################
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CANTERA_DATA=${CANTERA_DATA:=../../../data/inputs}; export CANTERA_DATA
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CANTERA_BIN=${CANTERA_BIN:=../../../bin}
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./testWaterTP > output.txt
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retnStat=$?
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if [ $retnStat != "0" ]
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then
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temp_success="0"
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echo "$testName returned with bad status, $retnStat, check output"
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fi
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$CANTERA_BIN/exp3to2.sh output.txt > outputa.txt
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diff -w outputa.txt output_blessed.txt > diff_test.out
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retnStat=$?
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if [ $retnStat = "0" ]
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then
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echo "successful diff comparison on $testName test"
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else
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echo "unsuccessful diff comparison on $testName test"
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echo "FAILED" > csvCode.txt
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temp_success="0"
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fi
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145
test_problems/cathermo/testWaterTP/testWaterTP.cpp
Normal file
145
test_problems/cathermo/testWaterTP/testWaterTP.cpp
Normal file
@@ -0,0 +1,145 @@
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/*
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* $Id$
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*/
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#include "stdio.h"
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#include "WaterTP.h"
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#include <new>
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using namespace std;
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int main () {
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double dens, u, s, h, cv, cp, pres;
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try {
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WaterTP *w = new WaterTP("waterTPphase.xml","");
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double rho;
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/*
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* Print out the triple point conditions
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*/
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double temp = 273.16;
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pres = w->satPressure(temp);
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printf("psat(%g) = %g\n", temp, pres);
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double presLow = 1.0E-2;
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temp = 298.15;
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double oneBar = 1.0E5;
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printf("Comparisons to NIST: (see http://webbook.nist.gov):\n\n");
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w->setDensity(1.0E-8);
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w->setState_TP(temp, presLow);
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double h = w->enthalpy_mole();
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printf("H0(298.15) = %g J/kmol\n", h);
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double h298 = h;
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double s = w->entropy_mole();
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s -= GasConstant * log(oneBar/presLow);
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printf("S0(298.15) = %g J/kmolK\n", s);
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double T[20];
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T[0] = 298.15;
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T[1] = 500.;
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T[2] = 600.;
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T[3] = 1000.;
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double Cp0, delh0, delg0, g;
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printf("\nIdeal Gas Standard State:\n");
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printf (" T Cp0 S0 "
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" -(G0-H298)/T H0-H298\n");
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printf (" (K) (J/molK) (J/molK) "
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" (J/molK) (kJ/mol)\n");
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for (int i = 0; i < 4; i++) {
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temp = T[i];
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w->setState_TP(temp, presLow);
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h = w->enthalpy_mole();
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delh0 = h - h298;
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g = w->gibbs_mole();
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delg0 = (g - h298)/temp + GasConstant * log(oneBar/presLow);
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Cp0 = w->cp_mole();
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s = w->entropy_mole();
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s -= GasConstant * log(oneBar/presLow);
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printf("%10g %10g %13g %13g %13g\n", temp, Cp0*1.0E-3, s*1.0E-3,
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-delg0*1.0E-3, delh0*1.0E-6);
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}
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printf("\n\n");
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temp = 298.15;
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w->setDensity(1000.);
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w->setState_TP(temp, oneBar);
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h = w->enthalpy_mole();
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printf("H_liq(298.15, onebar) = %g J/kmol\n", h);
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double h298l = h;
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s = w->entropy_mole();
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printf("S_liq(298.15, onebar) = %g J/kmolK\n", s);
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T[0] = 273.19;
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T[1] = 298.15;
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T[2] = 300.;
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T[3] = 373.15;
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T[4] = 400.;
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T[5] = 500.;
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printf("\nLiquid 1bar or psat Standard State\n");
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printf (" T press psat Cp0 S0 "
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" -(G0-H298)/T H0-H298\n");
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printf (" (K) (bar) (bar) (J/molK) (J/molK)"
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" (J/molK) (kJ/mol)\n");
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for (int i = 0; i < 6; i++) {
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temp = T[i];
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double psat = w->satPressure(temp);
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double press = oneBar;
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if (psat > press) {
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press = psat*1.002;
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}
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w->setState_TP(temp, press);
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h = w->enthalpy_mole();
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delh0 = h - h298l;
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g = w->gibbs_mole();
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delg0 = (g - h298l)/temp;
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Cp0 = w->cp_mole();
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s = w->entropy_mole();
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printf("%10g %10g %12g %13g %13g %13g %13g\n", temp, press*1.0E-5,
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psat*1.0E-5,
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Cp0*1.0E-3, s*1.0E-3,
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-delg0*1.0E-3, delh0*1.0E-6);
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}
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printf("\nLiquid Densities:\n");
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printf (" T press psat Density molarVol "
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"\n");
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printf (" (K) (bar) (bar) (kg/m3) (m3/kmol)"
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"\n");
|
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for (int i = 0; i < 6; i++) {
|
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temp = T[i];
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double psat = w->satPressure(temp);
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double press = oneBar;
|
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if (psat > press) {
|
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press = psat*1.002;
|
||||
}
|
||||
w->setState_TP(temp, press);
|
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double d = w->density();
|
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double mw = w->molecularWeight(0);
|
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double vbar = mw/d;
|
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// not implemented
|
||||
//w.getPartialMolarVolumes(&vbar);
|
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|
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printf("%10g %10g %12g %13g %13g\n", temp, press*1.0E-5,
|
||||
psat*1.0E-5, d, vbar);
|
||||
|
||||
}
|
||||
|
||||
|
||||
delete w;
|
||||
} catch (CanteraError) {
|
||||
|
||||
showErrors();
|
||||
Cantera::appdelete();
|
||||
return -1;
|
||||
}
|
||||
|
||||
|
||||
return 0;
|
||||
}
|
||||
54
test_problems/cathermo/testWaterTP/waterTPphase.xml
Normal file
54
test_problems/cathermo/testWaterTP/waterTPphase.xml
Normal file
@@ -0,0 +1,54 @@
|
||||
<?xml version="1.0"?>
|
||||
<ctml>
|
||||
<validate reactions="yes" species="yes"/>
|
||||
|
||||
<!-- phase water -->
|
||||
<phase dim="3" id="water">
|
||||
<elementArray datasrc="elements.xml">O H </elementArray>
|
||||
<speciesArray datasrc="#species_data">H2O</speciesArray>
|
||||
<state>
|
||||
<temperature units="K">300.0</temperature>
|
||||
<pressure units="Pa">101325.0</pressure>
|
||||
</state>
|
||||
<thermo model="PureFluid" fluid_type="0"/>
|
||||
<kinetics model="none"/>
|
||||
</phase>
|
||||
|
||||
|
||||
|
||||
<!-- species definitions -->
|
||||
<speciesData id="species_data">
|
||||
|
||||
<!-- species H2O -->
|
||||
<species name="H2O">
|
||||
<atomArray>H:2 O:1 </atomArray>
|
||||
<thermo>
|
||||
<NASA Tmax="1000.0" Tmin="273.16000000000003" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09,
|
||||
1.771978170E-12, -3.029372670E+04, -8.490322080E-01</floatArray>
|
||||
</NASA>
|
||||
<NASA Tmax="1600.0" Tmin="1000.0" P0="100000.0">
|
||||
<floatArray name="coeffs" size="7">
|
||||
3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11,
|
||||
1.682009920E-14, -3.000429710E+04, 4.966770100E+00</floatArray>
|
||||
</NASA>
|
||||
</thermo>
|
||||
</species>
|
||||
|
||||
|
||||
<!-- species C2F4H2 -->
|
||||
<species name="C2F4H2">
|
||||
<atomArray>H:2 C:2 F:4 </atomArray>
|
||||
<thermo>
|
||||
<const_cp Tmax="5000.0" Tmin="100.0">
|
||||
<t0 units="K">273.14999999999998</t0>
|
||||
<h0 units="J/kmol">23083414.8686</h0>
|
||||
<s0 units="J/kmol/K">167025.46599999999</s0>
|
||||
<cp0 units="J/kmol/K">0.0</cp0>
|
||||
</const_cp>
|
||||
</thermo>
|
||||
</species>
|
||||
</speciesData>
|
||||
<reactionData id="reaction_data"/>
|
||||
</ctml>
|
||||
Reference in New Issue
Block a user