Browse Source
Add the function:parseDropSpec for both droplet composition and droplet mole fractions
binary_fuel
29 changed files with 3059 additions and 398 deletions
Split View
Diff Options
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+2 -1CMakeLists.txt
-
BINbin/DLTORC_0.5C3_EP
-
BINbin/DLTORC_2.0C3_EP
-
BINbin/DLTORC_C7_EP
-
BINbin/DLTORC_UNIFAC
-
BINbin/DropletCombustion_non_floor
-
+5 -5build/CMakeCache.txt
-
+2 -2build/CMakeFiles/CMakeDirectoryInformation.cmake
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+90 -90build/CMakeFiles/CMakeOutput.log
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+1211 -205build/CMakeFiles/DropletCombustion.dir/CXX.includecache
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+7 -6build/CMakeFiles/DropletCombustion.dir/DependInfo.cmake
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+28 -28build/CMakeFiles/DropletCombustion.dir/build.make
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+729 -6build/CMakeFiles/DropletCombustion.dir/depend.internal
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+723 -0build/CMakeFiles/DropletCombustion.dir/depend.make
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+1 -1build/CMakeFiles/DropletCombustion.dir/flags.make
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BINbuild/CMakeFiles/DropletCombustion.dir/src/UserData.cpp.o
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BINbuild/CMakeFiles/DropletCombustion.dir/src/main.cpp.o
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BINbuild/CMakeFiles/DropletCombustion.dir/src/residue.cpp.o
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+5 -5build/CMakeFiles/Makefile2
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+3 -3build/CMakeFiles/TargetDirectories.txt
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+4 -4build/Makefile
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+2 -2build/cmake_install.cmake
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+27 -8include/UserData.h
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+13 -3include/parse.h
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+50 -0include/parse.hpp
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+101 -25src/UserData.cpp
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+1 -1src/main.cpp
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+52 -1src/parse.cpp
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+3 -2src/residue.cpp
+ 2
- 1
CMakeLists.txt
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| @@ -17,6 +17,7 @@ set(IDA_INCLUDES ${IDA_DIR}/include) | |||
| set(GSL_INCLUDES /usr/include/gsl) | |||
| set(COOLPROP_INCLUDES ${COOLPROP_DIR}/include) | |||
| set(FMT_INCLUDES ${FMT_DIR}/include) | |||
| set(EIGEN_INCLUDES /backup/weiye/eigen-3.4.0) | |||
| # Search for source files | |||
| aux_source_directory(${PROJECT_SOURCE_DIR}/src SRC_LIST) | |||
| @@ -32,7 +33,7 @@ target_link_libraries(DropletCombustion | |||
| # Include directories | |||
| target_include_directories(DropletCombustion | |||
| PRIVATE ${PROJECT_SOURCE_DIR}/include ${CANTERA_INCLUDES} ${IDA_INCLUDES} ${GSL_INCLUDES} ${COOLPROP_INCLUDES} ${FMT_INCLUDES}) | |||
| PRIVATE ${PROJECT_SOURCE_DIR}/include ${CANTERA_INCLUDES} ${IDA_INCLUDES} ${GSL_INCLUDES} ${COOLPROP_INCLUDES} ${FMT_INCLUDES} ${EIGEN_INCLUDES}) | |||
| # Set the output path | |||
| set(EXECUTABLE_OUTPUT_PATH ${PROJECT_SOURCE_DIR}/bin) | |||
BIN
bin/DropletCombustion → bin/DLTORC_0.5C3_EP
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BIN
bin/DLTORC_2.0C3_EP
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BIN
bin/DLTORC_C7_EP
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BIN
bin/DLTORC_UNIFAC
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BIN
bin/DropletCombustion_non_floor
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+ 5
- 5
build/CMakeCache.txt
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| demo_SOURCE_DIR:STATIC=/backup/weiye/src_binary_droplet_COPY | |||
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| /backup/weiye/eigen-3.4.0/Eigen/src/Jacobi/Jacobi.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/LU/Determinant.h | |||
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| /backup/weiye/eigen-3.4.0/Eigen/src/LU/InverseImpl.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/LU/PartialPivLU.h | |||
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| /backup/weiye/eigen-3.4.0/Eigen/src/LU/arch/InverseSize4.h | |||
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| /backup/weiye/eigen-3.4.0/Eigen/src/QR/CompleteOrthogonalDecomposition.h | |||
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| /backup/weiye/eigen-3.4.0/Eigen/src/QR/HouseholderQR.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/QR/HouseholderQR_LAPACKE.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/SVD/BDCSVD.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/SVD/JacobiSVD.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/SVD/JacobiSVD_LAPACKE.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/SVD/SVDBase.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/SVD/UpperBidiagonalization.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/misc/Image.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/misc/Kernel.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/misc/RealSvd2x2.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/misc/blas.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/misc/lapacke.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/misc/lapacke_mangling.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/ArrayCwiseBinaryOps.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/ArrayCwiseUnaryOps.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/BlockMethods.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/CommonCwiseBinaryOps.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/CommonCwiseUnaryOps.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/IndexedViewMethods.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/MatrixCwiseBinaryOps.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/MatrixCwiseUnaryOps.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/ReshapedMethods.h | |||
| /backup/weiye/fmt/include/fmt/core.h | |||
| /backup/weiye/fmt/include/fmt/format-inl.h | |||
| /backup/weiye/fmt/include/fmt/format.h | |||
| /backup/weiye/fmt/include/fmt/ostream.h | |||
| /backup/weiye/fmt/include/fmt/printf.h | |||
| /backup/weiye/src_binary_droplet/src/UserData.cpp | |||
| /backup/weiye/src_binary_droplet_COPY/src/UserData.cpp | |||
| /opt/scientific/cantera-2.4_gnu_blas/include/cantera/IdealGasMix.h | |||
| /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/AnyMap.h | |||
| /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/AnyMap.inl.h | |||
| @@ -64,7 +305,7 @@ CMakeFiles/DropletCombustion.dir/src/gridRoutines.cpp.o | |||
| ../include/gridRoutines.h | |||
| ../include/parse.h | |||
| ../include/parse.hpp | |||
| /backup/weiye/src_binary_droplet/src/gridRoutines.cpp | |||
| /backup/weiye/src_binary_droplet_COPY/src/gridRoutines.cpp | |||
| CMakeFiles/DropletCombustion.dir/src/main.cpp.o | |||
| ../include/UserData.h | |||
| ../include/gridRoutines.h | |||
| @@ -80,12 +321,253 @@ CMakeFiles/DropletCombustion.dir/src/main.cpp.o | |||
| /backup/weiye/CoolProp/include/DataStructures.h | |||
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| /backup/weiye/CoolProp/include/PlatformDetermination.h | |||
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| /backup/weiye/eigen-3.4.0/Eigen/Jacobi | |||
| /backup/weiye/eigen-3.4.0/Eigen/LU | |||
| /backup/weiye/eigen-3.4.0/Eigen/QR | |||
| /backup/weiye/eigen-3.4.0/Eigen/SVD | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/Cholesky/LDLT.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/Cholesky/LLT.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/Cholesky/LLT_LAPACKE.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/Core/ArithmeticSequence.h | |||
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| /backup/weiye/eigen-3.4.0/Eigen/src/Core/AssignEvaluator.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/Core/Assign_MKL.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/Core/BandMatrix.h | |||
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| /backup/weiye/eigen-3.4.0/Eigen/src/SVD/JacobiSVD_LAPACKE.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/SVD/SVDBase.h | |||
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| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/BlockMethods.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/CommonCwiseBinaryOps.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/CommonCwiseUnaryOps.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/IndexedViewMethods.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/MatrixCwiseBinaryOps.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/MatrixCwiseUnaryOps.h | |||
| /backup/weiye/eigen-3.4.0/Eigen/src/plugins/ReshapedMethods.h | |||
| /backup/weiye/fmt/include/fmt/core.h | |||
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| /backup/weiye/src_binary_droplet/src/main.cpp | |||
| /backup/weiye/src_binary_droplet_COPY/src/main.cpp | |||
| /opt/scientific/cantera-2.4_gnu_blas/include/cantera/IdealGasMix.h | |||
| /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/AnyMap.h | |||
| /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/AnyMap.inl.h | |||
| @@ -150,7 +632,7 @@ CMakeFiles/DropletCombustion.dir/src/main.cpp.o | |||
| CMakeFiles/DropletCombustion.dir/src/parse.cpp.o | |||
| ../include/parse.h | |||
| ../include/parse.hpp | |||
| /backup/weiye/src_binary_droplet/src/parse.cpp | |||
| /backup/weiye/src_binary_droplet_COPY/src/parse.cpp | |||
| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o | |||
| ../include/UserData.h | |||
| ../include/gridRoutines.h | |||
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| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/eigen-3.4.0/Eigen/src/misc/RealSvd2x2.h | |||
| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/eigen-3.4.0/Eigen/src/misc/blas.h | |||
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| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/eigen-3.4.0/Eigen/src/plugins/ArrayCwiseUnaryOps.h | |||
| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/eigen-3.4.0/Eigen/src/plugins/BlockMethods.h | |||
| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/eigen-3.4.0/Eigen/src/plugins/CommonCwiseBinaryOps.h | |||
| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/eigen-3.4.0/Eigen/src/plugins/CommonCwiseUnaryOps.h | |||
| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/eigen-3.4.0/Eigen/src/plugins/IndexedViewMethods.h | |||
| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/eigen-3.4.0/Eigen/src/plugins/MatrixCwiseBinaryOps.h | |||
| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/eigen-3.4.0/Eigen/src/plugins/MatrixCwiseUnaryOps.h | |||
| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/eigen-3.4.0/Eigen/src/plugins/ReshapedMethods.h | |||
| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/fmt/include/fmt/core.h | |||
| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/fmt/include/fmt/format-inl.h | |||
| CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/fmt/include/fmt/format.h | |||
+ 1
- 1
build/CMakeFiles/DropletCombustion.dir/flags.make
View File
| @@ -6,5 +6,5 @@ CXX_FLAGS = -std=gnu++11 | |||
| CXX_DEFINES = | |||
| CXX_INCLUDES = -I/backup/weiye/src_binary_droplet/include -I/opt/scientific/cantera-2.4_gnu_blas/include -I/opt/scientific/sundials-3.1.1_intel_mkl/include -I/usr/include/gsl -I/backup/weiye/CoolProp/include -I/backup/weiye/fmt/include | |||
| CXX_INCLUDES = -I/backup/weiye/src_binary_droplet_COPY/include -I/opt/scientific/cantera-2.4_gnu_blas/include -I/opt/scientific/sundials-3.1.1_intel_mkl/include -I/usr/include/gsl -I/backup/weiye/CoolProp/include -I/backup/weiye/fmt/include -I/backup/weiye/eigen-3.4.0 | |||
BIN
build/CMakeFiles/DropletCombustion.dir/src/UserData.cpp.o
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BIN
build/CMakeFiles/DropletCombustion.dir/src/main.cpp.o
View File
BIN
build/CMakeFiles/DropletCombustion.dir/src/residue.cpp.o
View File
+ 5
- 5
build/CMakeFiles/Makefile2
View File
| @@ -44,10 +44,10 @@ RM = /usr/bin/cmake -E remove -f | |||
| EQUALS = = | |||
| # The top-level source directory on which CMake was run. | |||
| CMAKE_SOURCE_DIR = /backup/weiye/src_binary_droplet | |||
| CMAKE_SOURCE_DIR = /backup/weiye/src_binary_droplet_COPY | |||
| # The top-level build directory on which CMake was run. | |||
| CMAKE_BINARY_DIR = /backup/weiye/src_binary_droplet/build | |||
| CMAKE_BINARY_DIR = /backup/weiye/src_binary_droplet_COPY/build | |||
| #============================================================================= | |||
| # Directory level rules for the build root directory | |||
| @@ -74,14 +74,14 @@ clean: CMakeFiles/DropletCombustion.dir/clean | |||
| CMakeFiles/DropletCombustion.dir/all: | |||
| $(MAKE) -f CMakeFiles/DropletCombustion.dir/build.make CMakeFiles/DropletCombustion.dir/depend | |||
| $(MAKE) -f CMakeFiles/DropletCombustion.dir/build.make CMakeFiles/DropletCombustion.dir/build | |||
| @$(CMAKE_COMMAND) -E cmake_echo_color --switch=$(COLOR) --progress-dir=/backup/weiye/src_binary_droplet/build/CMakeFiles --progress-num=1,2,3,4,5,6,7 "Built target DropletCombustion" | |||
| @$(CMAKE_COMMAND) -E cmake_echo_color --switch=$(COLOR) --progress-dir=/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles --progress-num=1,2,3,4,5,6,7 "Built target DropletCombustion" | |||
| .PHONY : CMakeFiles/DropletCombustion.dir/all | |||
| # Build rule for subdir invocation for target. | |||
| CMakeFiles/DropletCombustion.dir/rule: cmake_check_build_system | |||
| $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet/build/CMakeFiles 7 | |||
| $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles 7 | |||
| $(MAKE) -f CMakeFiles/Makefile2 CMakeFiles/DropletCombustion.dir/all | |||
| $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet/build/CMakeFiles 0 | |||
| $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles 0 | |||
| .PHONY : CMakeFiles/DropletCombustion.dir/rule | |||
| # Convenience name for target. | |||
+ 3
- 3
build/CMakeFiles/TargetDirectories.txt
View File
| @@ -1,3 +1,3 @@ | |||
| /backup/weiye/src_binary_droplet/build/CMakeFiles/rebuild_cache.dir | |||
| /backup/weiye/src_binary_droplet/build/CMakeFiles/DropletCombustion.dir | |||
| /backup/weiye/src_binary_droplet/build/CMakeFiles/edit_cache.dir | |||
| /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/rebuild_cache.dir | |||
| /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/DropletCombustion.dir | |||
| /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/edit_cache.dir | |||
+ 4
- 4
build/Makefile
View File
| @@ -48,10 +48,10 @@ RM = /usr/bin/cmake -E remove -f | |||
| EQUALS = = | |||
| # The top-level source directory on which CMake was run. | |||
| CMAKE_SOURCE_DIR = /backup/weiye/src_binary_droplet | |||
| CMAKE_SOURCE_DIR = /backup/weiye/src_binary_droplet_COPY | |||
| # The top-level build directory on which CMake was run. | |||
| CMAKE_BINARY_DIR = /backup/weiye/src_binary_droplet/build | |||
| CMAKE_BINARY_DIR = /backup/weiye/src_binary_droplet_COPY/build | |||
| #============================================================================= | |||
| # Targets provided globally by CMake. | |||
| @@ -80,9 +80,9 @@ edit_cache/fast: edit_cache | |||
| # The main all target | |||
| all: cmake_check_build_system | |||
| $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet/build/CMakeFiles /backup/weiye/src_binary_droplet/build/CMakeFiles/progress.marks | |||
| $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/progress.marks | |||
| $(MAKE) -f CMakeFiles/Makefile2 all | |||
| $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet/build/CMakeFiles 0 | |||
| $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles 0 | |||
| .PHONY : all | |||
| # The main clean target | |||
+ 2
- 2
build/cmake_install.cmake
View File
| @@ -1,4 +1,4 @@ | |||
| # Install script for directory: /backup/weiye/src_binary_droplet | |||
| # Install script for directory: /backup/weiye/src_binary_droplet_COPY | |||
| # Set the install prefix | |||
| if(NOT DEFINED CMAKE_INSTALL_PREFIX) | |||
| @@ -45,5 +45,5 @@ endif() | |||
| string(REPLACE ";" "\n" CMAKE_INSTALL_MANIFEST_CONTENT | |||
| "${CMAKE_INSTALL_MANIFEST_FILES}") | |||
| file(WRITE "/backup/weiye/src_binary_droplet/build/${CMAKE_INSTALL_MANIFEST}" | |||
| file(WRITE "/backup/weiye/src_binary_droplet_COPY/build/${CMAKE_INSTALL_MANIFEST}" | |||
| "${CMAKE_INSTALL_MANIFEST_CONTENT}") | |||
+ 27
- 8
include/UserData.h
View File
| @@ -6,6 +6,8 @@ | |||
| #include "gridRoutines.h" | |||
| #include <string> | |||
| #include <Eigen/Dense> | |||
| #include <vector> | |||
| #ifndef USER_DEF | |||
| #define USER_DEF | |||
| @@ -16,16 +18,31 @@ typedef struct UserDataTag{ | |||
| /*A Transport object from Cantera. Contains all transport info of all | |||
| * species.*/ | |||
| Cantera::Transport* trmix; | |||
| /* Droplet species composition */ | |||
| //char dropSpec[MAXBUFLEN]; | |||
| char dropSpec[2][10]; | |||
| /* Droplet species mole fractions */ | |||
| double dropMole[2]; | |||
| //double dropMole[2]; | |||
| /* Droplet species density at given initialTemperature*/ | |||
| double dropDens[2]; | |||
| /* Droplet species mass fractions*/ | |||
| double dropMassFrac[2]; | |||
| double dropRho; | |||
| //double dropDens[2]; | |||
| //double dropRho; | |||
| /* Classfication of droplet type : */ | |||
| /* dropType = 0 : single component droplet */ | |||
| /* dropType = 1 : binary components droplet */ | |||
| /* Current version only support single and binary component(s) droplet */ | |||
| int dropType; | |||
| /* Droplet species gamma using UNIFAC method */ | |||
| double gamma[2]; | |||
| /* Droplet species composition */ | |||
| std::vector<std::string> dropSpec; | |||
| std::vector<double> dropMole; | |||
| //char dropSpec[2][10] = {"propane","n-heptane"}; | |||
| /* Droplet species mole fractions */ | |||
| //double dropMoleFrac[2]; | |||
| /*Length of the domain (in meters):*/ | |||
| double domainLength; | |||
| /*Initial Droplet Radius (in meters)*/ | |||
| @@ -219,3 +236,5 @@ void setSaneDefaults(UserData data); | |||
| void freeUserData(UserData data); | |||
| #endif | |||
| void getGamma(const double mole[],double gamma[]) ; | |||
+ 13
- 3
include/parse.h
View File
| @@ -1,15 +1,18 @@ | |||
| #ifndef PRINT_DEF | |||
| #define PRINT_DEF | |||
| #include <string.h> //for strings | |||
| #include <stdio.h> //for printf,scanf | |||
| #include <stdio.h> //for printf,scanf (library for C) | |||
| #include <stdlib.h> //for atoi, atof | |||
| #include <string> | |||
| #include <string> //C++ header for string | |||
| #include <cstring> | |||
| #include <iostream> | |||
| #include <stdexcept> | |||
| #endif | |||
| #ifndef PARSE_DEF | |||
| #include <vector> | |||
| #include <sstream> | |||
| #ifndef PARSE_DEF ``` | |||
| #define PARSE_DEF | |||
| #define MAXBUFLEN 200 | |||
| @@ -27,6 +30,13 @@ template<typename T> | |||
| int parseArray(FILE* input, const char* keyword, const size_t bufLen, | |||
| const size_t arrLen, T y[]); | |||
| template<typename T> | |||
| int parseDropSpec(FILE* input, const char* keyword, const size_t bufLen,int* dropType, std::vector<T>& dropPara); | |||
| template<> | |||
| int parseDropSpec<std::string>(FILE* input, const char* keyword, const size_t bufLen,int* dropType, std::vector<std::string>& dropPara); | |||
| int parseDrop(FILE* input, const char* keyword,char dropSpec[][10],double dropMole[],const size_t bufLen); | |||
| #include "parse.hpp" | |||
+ 50
- 0
include/parse.hpp
View File
| @@ -73,3 +73,53 @@ int parseArray(FILE* input, const char* keyword, const size_t bufLen, | |||
| rewind(input); | |||
| return(-1); | |||
| } | |||
| /* Extract the droplet species and molefractions from input file using template */ | |||
| /* Generic template function */ | |||
| template<typename T> | |||
| int parseDropSpec(FILE* input, const char* keyword, const size_t bufLen,const int* dropType, std::vector<T>& dropPara){ | |||
| char buf[bufLen]; | |||
| char buf1[bufLen]; | |||
| char comment[1]; | |||
| char *ret; | |||
| T* n; | |||
| while (fgets(buf,bufLen, input)!=NULL){ | |||
| comment[0]=buf[0]; | |||
| if(strncmp(comment,"#",1)==0){ | |||
| //printf("Comment!:%s\n",buf); | |||
| } | |||
| else{ | |||
| ret=strtok(buf,"="); | |||
| if(strcmp(ret,keyword)==0){ | |||
| /*offset buf by keyword size + 1 for the "="*/ | |||
| /* Second argument in the strncpy function is the address !!! */ | |||
| /* Note: current version of code can only take dropType =0 or 1 */ | |||
| strncpy(buf1, buf+strlen(keyword)+1, bufLen); | |||
| printf("%10s: ",keyword); | |||
| if(*dropType ==0){ | |||
| getFromString(buf1,n); | |||
| dropPara.push_back(*n); | |||
| }else{ | |||
| std::istringstream iss(buf1) ; | |||
| std::string token; | |||
| while(std::getline(iss,token,',')){ | |||
| T arg = std::stod(token); | |||
| dropPara.push_back(arg); | |||
| } | |||
| printf("%15.6e,%15.6e\n",dropPara[0],dropPara[1]); | |||
| } | |||
| rewind(input); | |||
| return(0); | |||
| } | |||
| } | |||
| } | |||
| rewind(input); | |||
| return(-1); | |||
| } | |||
| /* Specialization for string */ | |||
| template<> | |||
| int parseDropSpec<std::string>(FILE* input, const char* keyword, const size_t bufLen,const int* dropType, std::vector<std::string>& dropPara); | |||
+ 101
- 25
src/UserData.cpp
View File
| @@ -120,18 +120,44 @@ UserData allocateUserData(FILE *input){ | |||
| return(NULL); | |||
| } | |||
| ier=parseNumber<int>(input, "quasiSteady" , MAXBUFLEN, &data->quasiSteady); | |||
| if(ier==-1 || (data->quasiSteady!=0 | |||
| && data->quasiSteady!=1)){ | |||
| printf("include valid quasiSteady!\n"); | |||
| printf("0: The droplet surface recedes and the droplet losses mass\n"); | |||
| printf("1: The droplet surface does not move and the droplet mass is constant\n"); | |||
| ier=parseNumber<int>(input,"dropType",MAXBUFLEN,&data->dropType); | |||
| if(ier==-1 || (data->dropType!=0 | |||
| && data->dropType!=1)){ | |||
| printf("include valid dropletType!\n"); | |||
| printf("0: single component droplet\n"); | |||
| printf("1: multi-component droplet\n"); | |||
| return(NULL); | |||
| } | |||
| ier=parseNumber<double>(input, "dPdt" , MAXBUFLEN, &data->dPdt); | |||
| ier=parseDropSpec<double>(input,"dropletMole",MAXBUFLEN,&data->dropType,dropMole); | |||
| if(ier== -1){ | |||
| printf("include correct format for droplet mole fraction!\n"); | |||
| printf("single composition droplet: dropletMole:1.00\n"); | |||
| printf("binary composition droplet: dropletMole:0.3,0.7\n"); | |||
| return(NULL); | |||
| } | |||
| ier=parseDropSpec<std::string>(input,"dropletComposition",MAXBUFLEN,&data->dropType,dropSpec); | |||
| if(ier== -1){ | |||
| printf("include correct format for droplet composition!\n"); | |||
| printf("single composition droplet: dropletComposition:n-heptane\n"); | |||
| printf("binary composition droplet: dropletComposition:propane,n-heptane\n"); | |||
| return(NULL); | |||
| } | |||
| //ier=parseNumber<int>(input, "quasiSteady" , MAXBUFLEN, &data->quasiSteady); | |||
| //if(ier==-1 || (data->quasiSteady!=0 | |||
| // && data->quasiSteady!=1)){ | |||
| // printf("include valid quasiSteady!\n"); | |||
| // printf("0: The droplet surface recedes and the droplet losses mass\n"); | |||
| // printf("1: The droplet surface does not move and the droplet mass is constant\n"); | |||
| // return(NULL); | |||
| //} | |||
| ier=parseNumber<double>(input, "dPdt", MAXBUFLEN, &data->dPdt); | |||
| ier=parseNumber<double>(input, "Rg" , MAXBUFLEN, &data->Rg); | |||
| ier=parseNumber<double>(input, "Rg", MAXBUFLEN, &data->Rg); | |||
| if(data->Rg < 0.0){ | |||
| printf("Rg must be greater than 0"); | |||
| return(NULL); | |||
| @@ -352,8 +378,8 @@ UserData allocateUserData(FILE *input){ | |||
| // return(NULL); | |||
| //} | |||
| ier=parseDrop(input,"dropletComposition",data->dropSpec,data->dropMole,MAXBUFLEN); | |||
| ier=parseDrop(input,"dropletDensity",data->dropSpec,data->dropDens,MAXBUFLEN); | |||
| //ier=parseDrop(input,"dropletComposition",data->dropSpec,data->dropMole,MAXBUFLEN); | |||
| //ier=parseDrop(input,"dropletDensity",data->dropSpec,data->dropDens,MAXBUFLEN); | |||
| ier=parseNumber<int> (input, "nThreads", MAXBUFLEN, &data->nThreads); | |||
| @@ -364,9 +390,25 @@ UserData allocateUserData(FILE *input){ | |||
| ier=parseNumber<double>(input, "PCAD", MAXBUFLEN, &data->PCAD); | |||
| if(ier==-1){ | |||
| printf("Enter PCAD value!\n"); | |||
| return(NULL); | |||
| } | |||
| ier=parseNumber<double>(input,"RGTC", MAXBUFLEN, &data->RGTC); | |||
| if(ier==-1){ | |||
| printf("Enter PGTC value!\n"); | |||
| return(NULL); | |||
| } | |||
| ier=parseNumber<int>(input,"JJRG", MAXBUFLEN, &data->JJRG); | |||
| if(ier==-1){ | |||
| printf("Enter JJRG value!\n"); | |||
| return(NULL); | |||
| } | |||
| ier=parseNumber<double>(input,"deltaT", MAXBUFLEN, &data->deltaT); | |||
| if(ier==-1){ | |||
| printf("Enter deltaT value!\n"); | |||
| return(NULL); | |||
| } | |||
| data->nr=0; | |||
| //data->np=data->nr+1; | |||
| @@ -385,21 +427,26 @@ UserData allocateUserData(FILE *input){ | |||
| MW[i]= weight; | |||
| } | |||
| double massSum = 0.0; | |||
| for(int i=0;i<=1;i++){ | |||
| massSum = massSum + data->dropMole[i] * MW[i]; | |||
| } | |||
| data->dropRho = 0.0; | |||
| for(int i=0;i<=1;i++){ | |||
| data->dropMassFrac[i] = data->dropMole[i]*MW[i]/massSum; | |||
| data->dropRho = data->dropRho + data->dropMassFrac[i]*data->dropDens[i]; | |||
| } | |||
| // double massSum = 0.0; | |||
| // for(int i=0;i<=1;i++){ | |||
| // massSum = massSum + data->dropMole[i] * MW[i]; | |||
| // } | |||
| // data->dropRho = 0.0; | |||
| // for(int i=0;i<=1;i++){ | |||
| // data->dropMassFrac[i] = data->dropMole[i]*MW[i]/massSum; | |||
| // data->dropRho = data->dropRho + data->dropMassFrac[i]*data->dropDens[i]; | |||
| // } | |||
| printf("Density of droplet is: %.3f [kg/m^3]\n",data->dropRho); | |||
| //Mass of droplet | |||
| //data->massDrop=1.0/3.0*pow(data->Rd,3)*997.0; //TODO: The density of the droplet should be a user input | |||
| //data->massDrop=1.0/3.0*pow(data->Rd,3)*684.00; //TODO: The density of the droplet(n-heptane) should be a user input | |||
| data->massDrop=1.0/3.0*pow(data->Rd,3)*data->dropRho; | |||
| /* Update the gamma using UNIFAC method for propane and n-heptane */ | |||
| getGamma(data->dropMole,data->gamma) ; | |||
| printf("Gamma of Propane and n-heptane are %.3f and %.3f .\n",data->gamma[0],data->gamma[1]) ; | |||
| if(!data->adaptiveGrid){ | |||
| data->uniformGrid = new double [data->npts]; | |||
| data->neq=data->nvar*data->npts; | |||
| @@ -415,12 +462,6 @@ UserData allocateUserData(FILE *input){ | |||
| ier=reGrid(data->grid, data->grid->position); | |||
| if(ier==-1)return(NULL); | |||
| // /**************** TEST THE data->grid->xOld *******************/ | |||
| // double* ptr = data->grid->xOld ; | |||
| // printf("allocateUserData function is called,Start print the first 5 elements of the xOld array : \n"); | |||
| // printf("1st:%.6f, 2nd:%.6f, 3rd:%.6f, 4th:%.6f, 5th:%.6f.\n",ptr[0],ptr[1],ptr[2],ptr[3],ptr[4]); | |||
| data->npts=data->grid->nPts; | |||
| data->neq=data->nvar*data->npts; | |||
| } | |||
| @@ -497,3 +538,38 @@ void setSaneDefaults(UserData data){ | |||
| data->deltaT=200.0; | |||
| } | |||
| void getGamma(const double mole[],double gamma[]){ | |||
| /* define relevant matrix */ | |||
| Eigen::Matrix2d nu_ ; | |||
| nu_ << 2,1,2,5; | |||
| /* define relevant vectors */ | |||
| Eigen::Vector2d R_(0.9011,0.6744),Q_(0.8480,0.5400); | |||
| Eigen::Vector2d r_,q_,x_,l_,ones_(1.0,1.0),v_,ksi_,gammaC_; | |||
| double sum_q, sum_r,sum_l; | |||
| r_ = nu_ * R_ ; | |||
| q_ = nu_ * Q_ ; | |||
| x_ << mole[0], mole[1] ; | |||
| sum_q = x_.dot(q_) ; | |||
| sum_r = x_.dot(r_) ; | |||
| for(int i=0; i<v_.size() ; i++){ | |||
| v_[i] = q_[i] * x_[i] / sum_q; | |||
| ksi_[i] = r_[i] * x_[i] / sum_r ; | |||
| } | |||
| l_ = 5 * (r_ - q_) - (r_ - ones_) ; | |||
| sum_l = l_.dot(x_) ; | |||
| /* calculate the gamma_c */ | |||
| for(int i=0; i<v_.size() ; i++){ | |||
| gammaC_[i] =std::exp( std::log(ksi_[i]/x_[i]) + 5*q_[i]*std::log(v_[i]/ksi_[i]) + l_[i] - ksi_[i]/x_[i]*sum_l ); | |||
| } | |||
| /******* gamma_R for both propane and n-heptane are 0 **********/ | |||
| /* return the gamma */ | |||
| for(int i=0; i<v_.size(); i++){ | |||
| gamma[i] = gammaC_[i] ; | |||
| } | |||
| } | |||
+ 1
- 1
src/main.cpp
View File
| @@ -398,7 +398,7 @@ int main(){ | |||
| } | |||
| /*Floor small value to zero*/ | |||
| floorSmallValue(data, &y); | |||
| //floorSmallValue(data, &y); | |||
| if(count%data->nSaves==0 && !data->writeEveryRegrid){ | |||
| printSpaceTimeOutput(tNow, &y, data->output, data); | |||
+ 52
- 1
src/parse.cpp
View File
| @@ -19,7 +19,14 @@ void getFromString (const char* buf, char* n){ | |||
| printf("%s\n",n); | |||
| } | |||
| /*Extract droplet species and mole fractions*/ | |||
| std::string getFromString(const char* buf){ | |||
| std::string n(buf); | |||
| printf("%s\n",n.c_str()); | |||
| return n; | |||
| } | |||
| /* Extract droplet species and mole fractions */ | |||
| int parseDrop(FILE* input, const char* keyword,char dropSpec[][10],double dropMole[],const size_t bufLen){ | |||
| char buf[bufLen]; | |||
| char buf1[bufLen]; | |||
| @@ -77,3 +84,47 @@ int parseDrop(FILE* input, const char* keyword,char dropSpec[][10],double dropMo | |||
| rewind(input); | |||
| return(-1); | |||
| } | |||
| /* Specialization for string */ | |||
| template<> | |||
| int parseDropSpec<std::string>(FILE* input, const char* keyword, const size_t bufLen,const int* dropType, std::vector<std::string>& dropPara){ | |||
| char buf[bufLen]; | |||
| char buf1[bufLen]; | |||
| char comment[1]; | |||
| char *ret; | |||
| while (fgets(buf,bufLen, input)!=NULL){ | |||
| comment[0]=buf[0]; | |||
| if(strncmp(comment,"#",1)==0){ | |||
| //printf("Comment!:%s\n",buf); | |||
| } | |||
| else{ | |||
| ret=strtok(buf,"="); | |||
| if(strcmp(ret,keyword)==0){ | |||
| /*offset buf by keyword size + 1 for the "="*/ | |||
| /* Second argument in the strncpy function is the address !!! */ | |||
| /* Note: current version of code can only take dropType =0 or 1 */ | |||
| strncpy(buf1, buf+strlen(keyword)+1, bufLen); | |||
| printf("%10s: ",keyword); | |||
| if(*dropType ==0){ | |||
| /* Convert from char* to string */ | |||
| std::string str(buf1); | |||
| dropPara.push_back(str); | |||
| printf("%s\n",dropPara[0].c_str()); | |||
| }else{ | |||
| std::istringstream iss(buf1) ; | |||
| std::string token; | |||
| while(std::getline(iss,token,',')){ | |||
| //std::stod(token); | |||
| dropPara.push_back(token); | |||
| } | |||
| printf("%s,%s\n",dropPara[0].c_str(),dropPara[1].c_str()); | |||
| } | |||
| rewind(input); | |||
| return(0); | |||
| } | |||
| } | |||
| } | |||
| rewind(input); | |||
| return(-1); | |||
| } | |||
+ 3
- 2
src/residue.cpp
View File
| @@ -1194,8 +1194,9 @@ int residue(double t, N_Vector y, N_Vector ydot, N_Vector res, void *user_data){ | |||
| /*Antoine parameter from NIST website*/ | |||
| /*Raoult's Law is applied to calculate the partial vapor pressure*/ | |||
| double p_i[2]={0.0,0.0} ; | |||
| p_i[0] = 1.0e5*pow(10,4.53678-(1149.36/(T(1)+24.906)))*data->dropMole[0] ; //unit:Pa,Helgeson and Sage,1967,Propane | |||
| p_i[1] = 1.0e5*pow(10,4.02832-(1268.636/(T(1)-56.199)))*data->dropMole[0] ; //unit:Pa,n-Heptane | |||
| p_i[0] = 1.0e5*pow(10,4.53678-(1149.36/(T(1)+24.906)))*data->dropMole[0]*data->gamma[0] ; //unit:Pa,Helgeson and Sage,1967,Propane | |||
| //p_i[0] = 1.0e5*pow(10,4.02832-(1268.636/(T(1)-56.199)))*data->dropMole[0] ; | |||
| p_i[1] = 1.0e5*pow(10,4.02832-(1268.636/(T(1)-56.199)))*data->dropMole[1]*data->gamma[1] ; //unit:Pa,n-Heptane | |||
| //p_i[1] = 1.0e5*pow(10,4.10549-(1625.928/(T(1)-92.839)))*data->dropMole[1] ; //Unit:Pa.Williamham and Taylor,n-dodecane | |||