Browse Source

Add the function:parseDropSpec for both droplet composition and droplet mole fractions

binary_fuel
Weiye Wang 9 months ago
parent
commit
73b9451213
29 changed files with 3059 additions and 398 deletions
  1. +2
    -1
      CMakeLists.txt
  2. BIN
      bin/DLTORC_0.5C3_EP
  3. BIN
      bin/DLTORC_2.0C3_EP
  4. BIN
      bin/DLTORC_C7_EP
  5. BIN
      bin/DLTORC_UNIFAC
  6. BIN
      bin/DropletCombustion_non_floor
  7. +5
    -5
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  8. +2
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  9. +90
    -90
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  17. BIN
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  18. BIN
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  20. +3
    -3
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  21. +4
    -4
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  22. +2
    -2
      build/cmake_install.cmake
  23. +27
    -8
      include/UserData.h
  24. +13
    -3
      include/parse.h
  25. +50
    -0
      include/parse.hpp
  26. +101
    -25
      src/UserData.cpp
  27. +1
    -1
      src/main.cpp
  28. +52
    -1
      src/parse.cpp
  29. +3
    -2
      src/residue.cpp

+ 2
- 1
CMakeLists.txt View File

@@ -17,6 +17,7 @@ set(IDA_INCLUDES ${IDA_DIR}/include)
set(GSL_INCLUDES /usr/include/gsl) set(GSL_INCLUDES /usr/include/gsl)
set(COOLPROP_INCLUDES ${COOLPROP_DIR}/include) set(COOLPROP_INCLUDES ${COOLPROP_DIR}/include)
set(FMT_INCLUDES ${FMT_DIR}/include) set(FMT_INCLUDES ${FMT_DIR}/include)
set(EIGEN_INCLUDES /backup/weiye/eigen-3.4.0)


# Search for source files # Search for source files
aux_source_directory(${PROJECT_SOURCE_DIR}/src SRC_LIST) aux_source_directory(${PROJECT_SOURCE_DIR}/src SRC_LIST)
@@ -32,7 +33,7 @@ target_link_libraries(DropletCombustion


# Include directories # Include directories
target_include_directories(DropletCombustion 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 the output path
set(EXECUTABLE_OUTPUT_PATH ${PROJECT_SOURCE_DIR}/bin) set(EXECUTABLE_OUTPUT_PATH ${PROJECT_SOURCE_DIR}/bin)

BIN
bin/DropletCombustion → bin/DLTORC_0.5C3_EP View File


BIN
bin/DLTORC_2.0C3_EP View File


BIN
bin/DLTORC_C7_EP View File


BIN
bin/DLTORC_UNIFAC View File


BIN
bin/DropletCombustion_non_floor View File


+ 5
- 5
build/CMakeCache.txt View File

@@ -1,5 +1,5 @@
# This is the CMakeCache file. # This is the CMakeCache file.
# For build in directory: /backup/weiye/src_binary_droplet/build
# For build in directory: /backup/weiye/src_binary_droplet_COPY/build
# It was generated by CMake: /usr/bin/cmake # It was generated by CMake: /usr/bin/cmake
# You can edit this file to change values found and used by cmake. # You can edit this file to change values found and used by cmake.
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demo_BINARY_DIR:STATIC=/backup/weiye/src_binary_droplet_COPY/build


//Value Computed by CMake //Value Computed by CMake
demo_SOURCE_DIR:STATIC=/backup/weiye/src_binary_droplet
demo_SOURCE_DIR:STATIC=/backup/weiye/src_binary_droplet_COPY




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make[1]: Leaving directory '/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp'






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arg [/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib/crti.o] ==> ignore arg [/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib/crti.o] ==> ignore
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arg [-L/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../..] ==> dir [/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../..] arg [-L/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../..] ==> dir [/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../..]
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@@ -237,34 +237,34 @@ Parsed C implicit link information from above output:




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Change Dir: /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp


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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/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-inl.h
CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/fmt/include/fmt/format.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_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 View File


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 = = EQUALS = =


# The top-level source directory on which CMake was run. # 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. # 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 # Directory level rules for the build root directory
@@ -74,14 +74,14 @@ clean: CMakeFiles/DropletCombustion.dir/clean
CMakeFiles/DropletCombustion.dir/all: 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/depend
$(MAKE) -f CMakeFiles/DropletCombustion.dir/build.make CMakeFiles/DropletCombustion.dir/build $(MAKE) -f CMakeFiles/DropletCombustion.dir/build.make CMakeFiles/DropletCombustion.dir/build
@$(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 .PHONY : CMakeFiles/DropletCombustion.dir/all


# Build rule for subdir invocation for target. # Build rule for subdir invocation for target.
CMakeFiles/DropletCombustion.dir/rule: cmake_check_build_system 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 $(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 .PHONY : CMakeFiles/DropletCombustion.dir/rule


# Convenience name for target. # Convenience name for target.


+ 3
- 3
build/CMakeFiles/TargetDirectories.txt View File

@@ -1,3 +1,3 @@
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/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 = = EQUALS = =


# The top-level source directory on which CMake was run. # 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. # 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. # Targets provided globally by CMake.
@@ -80,9 +80,9 @@ edit_cache/fast: edit_cache


# The main all target # The main all target
all: cmake_check_build_system 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 $(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 .PHONY : all


# The main clean target # 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 # Set the install prefix
if(NOT DEFINED CMAKE_INSTALL_PREFIX) if(NOT DEFINED CMAKE_INSTALL_PREFIX)
@@ -45,5 +45,5 @@ endif()


string(REPLACE ";" "\n" CMAKE_INSTALL_MANIFEST_CONTENT string(REPLACE ";" "\n" CMAKE_INSTALL_MANIFEST_CONTENT
"${CMAKE_INSTALL_MANIFEST_FILES}") "${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}"
"${CMAKE_INSTALL_MANIFEST_CONTENT}") "${CMAKE_INSTALL_MANIFEST_CONTENT}")

+ 27
- 8
include/UserData.h View File

@@ -6,6 +6,8 @@


#include "gridRoutines.h" #include "gridRoutines.h"
#include <string> #include <string>
#include <Eigen/Dense>
#include <vector>


#ifndef USER_DEF #ifndef USER_DEF
#define USER_DEF #define USER_DEF
@@ -16,16 +18,31 @@ typedef struct UserDataTag{
/*A Transport object from Cantera. Contains all transport info of all /*A Transport object from Cantera. Contains all transport info of all
* species.*/ * species.*/
Cantera::Transport* trmix; Cantera::Transport* trmix;
/* Droplet species composition */
//char dropSpec[MAXBUFLEN];
char dropSpec[2][10];

/* Droplet species mole fractions */ /* Droplet species mole fractions */
double dropMole[2];
//double dropMole[2];

/* Droplet species density at given initialTemperature*/ /* 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):*/ /*Length of the domain (in meters):*/
double domainLength; double domainLength;
/*Initial Droplet Radius (in meters)*/ /*Initial Droplet Radius (in meters)*/
@@ -219,3 +236,5 @@ void setSaneDefaults(UserData data);
void freeUserData(UserData data); void freeUserData(UserData data);
#endif #endif


void getGamma(const double mole[],double gamma[]) ;


+ 13
- 3
include/parse.h View File

@@ -1,15 +1,18 @@
#ifndef PRINT_DEF #ifndef PRINT_DEF
#define PRINT_DEF #define PRINT_DEF
#include <string.h> //for strings #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 <stdlib.h> //for atoi, atof
#include <string>
#include <string> //C++ header for string
#include <cstring> #include <cstring>
#include <iostream> #include <iostream>
#include <stdexcept> #include <stdexcept>
#endif #endif


#ifndef PARSE_DEF
#include <vector>
#include <sstream>

#ifndef PARSE_DEF ```
#define PARSE_DEF #define PARSE_DEF
#define MAXBUFLEN 200 #define MAXBUFLEN 200


@@ -27,6 +30,13 @@ template<typename T>
int parseArray(FILE* input, const char* keyword, const size_t bufLen, int parseArray(FILE* input, const char* keyword, const size_t bufLen,
const size_t arrLen, T y[]); 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); int parseDrop(FILE* input, const char* keyword,char dropSpec[][10],double dropMole[],const size_t bufLen);


#include "parse.hpp" #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); rewind(input);
return(-1); 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); 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); 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){ if(data->Rg < 0.0){
printf("Rg must be greater than 0"); printf("Rg must be greater than 0");
return(NULL); return(NULL);
@@ -352,8 +378,8 @@ UserData allocateUserData(FILE *input){
// return(NULL); // 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); ier=parseNumber<int> (input, "nThreads", MAXBUFLEN, &data->nThreads);
@@ -364,9 +390,25 @@ UserData allocateUserData(FILE *input){


ier=parseNumber<double>(input, "PCAD", MAXBUFLEN, &data->PCAD); 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); 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); 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); ier=parseNumber<double>(input,"deltaT", MAXBUFLEN, &data->deltaT);
if(ier==-1){
printf("Enter deltaT value!\n");
return(NULL);
}
data->nr=0; data->nr=0;
//data->np=data->nr+1; //data->np=data->nr+1;
@@ -385,21 +427,26 @@ UserData allocateUserData(FILE *input){
MW[i]= weight; 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); printf("Density of droplet is: %.3f [kg/m^3]\n",data->dropRho);
//Mass of droplet //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)*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)*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; 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){ if(!data->adaptiveGrid){
data->uniformGrid = new double [data->npts]; data->uniformGrid = new double [data->npts];
data->neq=data->nvar*data->npts; data->neq=data->nvar*data->npts;
@@ -415,12 +462,6 @@ UserData allocateUserData(FILE *input){
ier=reGrid(data->grid, data->grid->position); ier=reGrid(data->grid, data->grid->position);
if(ier==-1)return(NULL); 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->npts=data->grid->nPts;
data->neq=data->nvar*data->npts; data->neq=data->nvar*data->npts;
} }
@@ -497,3 +538,38 @@ void setSaneDefaults(UserData data){
data->deltaT=200.0; 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*/ /*Floor small value to zero*/
floorSmallValue(data, &y);
//floorSmallValue(data, &y);


if(count%data->nSaves==0 && !data->writeEveryRegrid){ if(count%data->nSaves==0 && !data->writeEveryRegrid){
printSpaceTimeOutput(tNow, &y, data->output, data); 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); 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){ int parseDrop(FILE* input, const char* keyword,char dropSpec[][10],double dropMole[],const size_t bufLen){
char buf[bufLen]; char buf[bufLen];
char buf1[bufLen]; char buf1[bufLen];
@@ -77,3 +84,47 @@ int parseDrop(FILE* input, const char* keyword,char dropSpec[][10],double dropMo
rewind(input); rewind(input);
return(-1); 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*/ /*Antoine parameter from NIST website*/
/*Raoult's Law is applied to calculate the partial vapor pressure*/ /*Raoult's Law is applied to calculate the partial vapor pressure*/
double p_i[2]={0.0,0.0} ; 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 //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






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