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Droplet_LTORC
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liquid propert of C3/C7 implemented

binary_fuel
Weiye Wang 9 months ago
parent
293673d25d
commit
42cdd427df
12 changed files with 375 additions and 48 deletions
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  1. BIN
      DropletCombustionTest7
  2. +1
    -1
      Makefile
  3. +40
    -8
      UserData.cpp
  4. +18
    -2
      UserData.h
  5. +3
    -0
      macros.h
  6. +51
    -2
      main.cpp
  7. +59
    -0
      parse.cpp
  8. +5
    -0
      parse.h
  9. +0
    -1
      parse.hpp
  10. +2
    -0
      readme.md
  11. +190
    -34
      residue.cpp
  12. +6
    -0
      residue.h

BIN
DropletCombustionTest7 View File


+ 1
- 1
Makefile View File

@@ -7,7 +7,7 @@
compiler =g++
CANTERA_DIR =/opt/scientific/cantera-2.4_gnu_blas
IDA_DIR =/opt/scientific/sundials-3.1.1_intel_mkl
EXE =DropletCombustionTest6
EXE =DropletCombustionTest7-binary
#DESTDIR =~/bin
DESTDIR = ../example



+ 40
- 8
UserData.cpp View File

@@ -339,20 +339,29 @@ UserData allocateUserData(FILE *input){
}
}

ier=parseNumber<char>(input, "dropletComposition", MAXBUFLEN, data->dropSpec);
if(ier==-1){
printf("Enter composition of droplet!\n");
return(NULL);
}
//ier=parseNumber<char>(input, "dropletComposition", MAXBUFLEN, data->dropSpec);
//if(ier==-1){
// printf("Enter composition of droplet!\n");
// return(NULL);
//}

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);
if(data->nThreads<0 ){
printf("nThreads must be greater than 0!\n");
return(NULL);
}

data->nr=0;
ier=parseNumber<double>(input, "PCAD", MAXBUFLEN, &data->PCAD);
ier=parseNumber<double>(input,"RGTC", MAXBUFLEN, &data->RGTC);
ier=parseNumber<int>(input,"JJRG", MAXBUFLEN, &data->JJRG);
ier=parseNumber<double>(input,"deltaT", MAXBUFLEN, &data->deltaT);
data->nr=0;
//data->np=data->nr+1;
data->nt=data->nr+1;
data->ny=data->nt+1;
@@ -361,9 +370,28 @@ UserData allocateUserData(FILE *input){
data->nvar=data->nsp+4; //assign no: of variables (R,T,P,Mdot,nsp species)


double MW[2];
for(int i=0;i<=1;i++){
int speciesIndex = data->gas->speciesIndex(data->dropSpec[i]);
double weight = data->gas->molecularWeight(speciesIndex);
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];
}
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)*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;

if(!data->adaptiveGrid){
data->uniformGrid = new double [data->npts];
@@ -454,5 +482,9 @@ void setSaneDefaults(UserData data){
data->flameTime[0]=0.0e0;
data->flameTime[1]=0.0e0;
data->nTimeSteps=0;
data->PCAD=0.75;
data->RGTC=1.0;
data->JJRG=0;
data->deltaT=200.0;
}


+ 18
- 2
UserData.h View File

@@ -5,6 +5,7 @@
#endif

#include "gridRoutines.h"
#include <string>

#ifndef USER_DEF
#define USER_DEF
@@ -16,7 +17,15 @@ typedef struct UserDataTag{
* species.*/
Cantera::Transport* trmix;
/* Droplet species composition */
char dropSpec[MAXBUFLEN];
//char dropSpec[MAXBUFLEN];
char dropSpec[2][10];
/* Droplet species mole fractions */
double dropMole[2];
/* Droplet species density at given initialTemperature*/
double dropDens[2];
/* Droplet species mass fractions*/
double dropMassFrac[2];
double dropRho;
/*Length of the domain (in meters):*/
double domainLength;
/*Initial Droplet Radius (in meters)*/
@@ -54,7 +63,8 @@ typedef struct UserDataTag{
size_t k_OH;
size_t k_HO2;
/*Species index of droplet composition*/
size_t k_drop;
/*Index starts with 1 instead of 0*/
size_t k_drop[2];
/*User-defined mass flux (kg/m^2/s):*/
double mdot;
/*Flag to solve isobaric/isochoric problem;*/
@@ -193,6 +203,12 @@ typedef struct UserDataTag{
//double* MW;
FILE* timescaleOutput;

/*Following parameters are used for REGRID function*/
double PCAD;
double RGTC;
int JJRG;
double deltaT;


} *UserData;
UserData allocateUserData(FILE *input);


+ 3
- 0
macros.h View File

@@ -15,6 +15,9 @@
* macros here. Also, we define macros to ease referencing various variables in
* the sundials nvector.
*/
#define WORK(i) WORK[i-1]
#define XNEW(i) XNEW[i-1]

#define psi(i) psidata[i-1]

#define T(i) ydata[((i-1)*data->nvar)+data->nt]


+ 51
- 2
main.cpp View File

@@ -213,6 +213,7 @@ int main(){
double dxRatio=dx/dxMin;
int move=0;
int kcur=0;
int RGCOUNT=0;
if(data->adaptiveGrid){
dxMin=data->grid->leastMove;
xOld=maxCurvPosition(ydata, data->nt, data->nvar,
@@ -229,8 +230,6 @@ int main(){
/*Floor small value to zero*/
floorSmallValue(data, &y);
/*reset the tolerance after ignition*/
resetTolerance(data,&y,&atolv);

if(data->quasiSteady){
ier = IDASolve(mem, finalTime, &tNow, y, ydot, IDA_ONE_STEP);
@@ -338,6 +337,56 @@ int main(){

}
}
/*reset the tolerance after ignition*/
//resetTolerance(data,&y,&atolv);
/*regrid and update the solution based on R,re-initialize the problem*/
/*For the time being,we only allow TORC to REGRID once for each run*/
if(data->JJRG ==1 && (maxT >= data->initialTemperature+data->deltaT)){
if(RGCOUNT<1){
RGCOUNT = RGCOUNT +1;
REGRID(ydata,ydotdata,data);
initializePsiGrid(ydata,data->uniformGrid,data);
printf("REGRID Complete!Restarting Problem at %15.6e s\n",tNow);
ier = IDAReInit(mem,tNow,y,ydot);
if(check_flag(&ier,"IDAReInit",1)){
freeAtLast(mem,&y,&ydot,&res,&id,&atolv,&constraints,data);
return(-1);
}

ier= IDASetInitStep(mem,1e-01*dt);
//ier= IDASetInitStep(mem,0.0);
printf("Reinitialized!Calculating Initial Conditions:\n");
printf("Cross your fingers...\n");
ier = IDACalcIC(mem, IDA_YA_YDP_INIT, tNow+1e-01*dt);
if(check_flag(&ier, "IDACalcIC", 1)){
ier = IDACalcIC(mem, IDA_YA_YDP_INIT, tNow+1e+01*dt);
}
//Every once in a while, for reasons
//that befuddle this mathematically
//lesser author, IDACalcIC fails. Here,
//I desperately try to make it converge
//again by sampling increasingly larger
//time-steps:
for (int i = 0; i < 10; i++) {
ier = IDACalcIC(mem, IDA_YA_YDP_INIT, tNow+(1e-01+pow(10,i)*dt));
if(ier==0){
break;
}
}
//Failure :( Back to the drawing board:
if(check_flag(&ier, "IDACalcIC", 1)){
freeAtLast(mem,&y,&ydot,&res,&id,&atolv,&constraints,data);
return(-1);
}
printf("Initial (Consistent) Conditions Calculated!\n");
printf("------------------------------------------\n\n");

}
}

/*Floor small value to zero*/
floorSmallValue(data, &y);


+ 59
- 0
parse.cpp View File

@@ -18,3 +18,62 @@ void getFromString (const char* buf, char* n){
sscanf(buf,"%s",n);
printf("%s\n",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];
char comment[1];
char *ret;
while (fgets(buf,bufLen, input)!=NULL){
comment[0]=buf[0];
if(strncmp(comment,"#",1)==0){
}
else{
strcpy(buf1,buf);
ret=strtok(buf,"=");
//DEBUG
//printf("Current KEYWORD in input: %20s \n",ret);
if(strcmp(ret,keyword)==0){
char* modifiedFuel = NULL;
char* equalSign = strstr(buf1,"=");
if(equalSign!= NULL){
modifiedFuel = new char [strlen(equalSign)+1];
strcpy(modifiedFuel,equalSign+1);
//DEBUG
//printf("modifiedFuel:%20s \n",modifiedFuel);
char* token = strtok(modifiedFuel,",");
int index = 0 ;
char* list[2];
while(token!= NULL){
//DEBUG
//printf("TOKEN :%20s \n",token);
list[index] = token;
token = strtok(NULL,",");
index++;
}
//for (int i=0;i<2;i++){
// printf("%20s",list[i]);
//}
for(int i=0;i<2;i++){
char* name= strtok(list[i],":");
char* value = strtok(NULL,":");
//DEBUG
// printf("Name:%10s,Value:%10s \n",name,value);
strcpy(dropSpec[i],name);
dropMole[i]=std::stod(value);
// printf("In the dropArray,Name:%10s,Value:%.3f\n",dropSpec[i],dropMole[i]);
}
delete[] modifiedFuel;
}
printf("%10s:%10s:%.3f,%10s:%.3f\n",keyword,dropSpec[0],dropMole[0],dropSpec[1],dropMole[1]);
//printf("IF statement is execuated. \n");
rewind(input);
//delete[] modifiedFuel;
return(0);
}
}
}
rewind(input);
return(-1);
}

+ 5
- 0
parse.h View File

@@ -3,6 +3,10 @@
#include <string.h> //for strings
#include <stdio.h> //for printf,scanf
#include <stdlib.h> //for atoi, atof
#include <string>
#include <cstring>
#include <iostream>
#include <stdexcept>
#endif

#ifndef PARSE_DEF
@@ -23,6 +27,7 @@ template<typename T>
int parseArray(FILE* input, const char* keyword, const size_t bufLen,
const size_t arrLen, T y[]);

int parseDrop(FILE* input, const char* keyword,char dropSpec[][10],double dropMole[],const size_t bufLen);

#include "parse.hpp"



+ 0
- 1
parse.hpp View File

@@ -73,4 +73,3 @@ int parseArray(FILE* input, const char* keyword, const size_t bufLen,
rewind(input);
return(-1);
}


+ 2
- 0
readme.md View File

@@ -11,4 +11,6 @@ DropletCombustionTest2: Multiple the l function by 100.0 and remove print timeSc
DropletCombustionTest3: Multiple the l function by 10.0 and print the maxTemp and add criteria for regrid
DropletCombustionTest4: dxRatio to be 1.0e-2 and delta_T to be 150 [K]
DropletCombustionTest5: dxRatio to be 1.0 and print x and xOld temperature, modified the fillGrid function;
DropletCombustionTest7: JJRG has been implemented;



+ 190
- 34
residue.cpp View File

@@ -9,6 +9,119 @@
#include <stdio.h>
#include "timing.hpp"

void REGRID(double* ydata,double* ydotdata,UserData data){
size_t nPts = data->npts;
size_t nvar = data->nvar;
double WORK[nPts],XNEW[nPts],XOLD[nPts];
double P,R,R0,R1,R2,TV1,TV2,XLEN,B1,B2;
double DX,DDX;
double DETA,ETAJ,DEL;
size_t ISTART;
P = data->PCAD;
R = data->RGTC;
R0 =1.0 - P;
R1 =P*R/(R+1.0);
R2 =P - R1 ;
TV1 = 0.0;
TV2 = 0.0;

for(size_t i=2;i<=nPts;i++){
TV1 = TV1 + fabs(T(i)-T(i-1));
}
for(size_t i=2;i<=nPts-1;i++){
TV2 = TV2 + fabs( (T(i+1)-T(i))/(R(i+1)-R(i)) - (T(i)-T(i-1))/(R(i)-R(i-1)) );
}
XLEN = R(nPts) - R(1);
B1 = R1* XLEN/ ( (1.0-P)*TV1);
B2 = R2* XLEN/ ( (1.0-P)*TV2);

//Compute partial sum of weight function
WORK(1) =0.0;
DX = 0.0;
for(size_t i=2;i<=nPts-1;i++){
DX = R(i) - R(i-1) ;
WORK(i) = DX + B1*fabs(T(i)-T(i-1)) + WORK(i-1)+B2*fabs( (T(i+1)-T(i))/(R(i+1)-R(i)) - (T(i)-T(i-1))/(R(i)-R(i-1)) );
}
DDX = R(nPts) - R(nPts-1);
WORK(nPts) = WORK(nPts-1) +DDX ;
for(size_t i=2;i<=nPts;i++){
WORK(i) = WORK(i)/WORK(nPts);
}
XNEW(1)=R(1);
XNEW(nPts)=R(nPts);
ISTART =2;
//double DETA;
DETA = 1.0/(nPts-1) ;

//Fill new grid XNEW[nPts],duplicate from PREMIX REGRID SUBROUTINE
for(size_t j=2;j<=nPts-1;j++){
ETAJ= (j-1)*DETA;

for(size_t i=ISTART;i<=nPts;i++){
if(ETAJ <= WORK(i)){
DEL = (ETAJ-WORK(i-1))/(WORK(i)-WORK(i-1)) ;
XNEW(j)=R(i-1)+(R(i)-R(i-1))*DEL;
break;
}else{
ISTART =i;
}

}
}

//Interpolate solution based on XNEW[]&XOLD[]
for(size_t i=1;i<=nPts;i++){
XOLD[i-1]=R(i);
}

INTERPO(ydata,ydotdata,nvar,nPts,XNEW,XOLD);

}


void INTERPO(double* y,double* ydot,const size_t nvar,size_t nPts,const double XNEW[], const double XOLD[]){
double ytemp[nPts],ydottemp[nPts] ;
gsl_interp_accel* acc;
gsl_spline* spline;
acc = gsl_interp_accel_alloc();
spline = gsl_spline_alloc(gsl_interp_steffen,nPts);
gsl_interp_accel* accdot;
gsl_spline* splinedot;
accdot = gsl_interp_accel_alloc();
splinedot = gsl_spline_alloc(gsl_interp_steffen,nPts);

for(size_t j=0;j<nvar;j++){
for(size_t i=0;i<nPts;i++){
ytemp[i]=y[j+i*nvar];
ydottemp[i]=y[j+i*nvar];
}

gsl_spline_init(spline,XOLD,ytemp,nPts);
gsl_spline_init(splinedot,XOLD,ydottemp,nPts);
for(size_t i=0;i<nPts;i++){
y[j+i*nvar]=gsl_spline_eval(spline,XNEW[i],acc);
ydot[j+i*nvar]=gsl_spline_eval(splinedot,XNEW[i],accdot);
}

}

gsl_interp_accel_free(acc);
gsl_spline_free(spline);

gsl_interp_accel_free(accdot);
gsl_spline_free(splinedot);

}

double maxTemperaturePosition(const double* y,const size_t nt,const size_t nvar,const double *x ,size_t nPts){
double maxT = 0.0e0;
double TempT = 0.0e0;
@@ -342,16 +455,24 @@ size_t specIndex(UserData data,char *specName){

int setAlgebraicVariables(N_Vector* id, UserData data){
double *iddata;
char* specPtr[2];

N_VConst(ONE, *id);
iddata = N_VGetArrayPointer_OpenMP(*id);
data->k_bath=BathGasIndex(data);
data->k_oxidizer=oxidizerIndex(data);
data->k_OH=OHIndex(data);
data->k_HO2=HO2Index(data);
data->k_drop=specIndex(data,data->dropSpec);
//use char* pointer to get the address
for(int i=0;i<2;i++){
specPtr[i] = data->dropSpec[i];
}
data->k_drop[0]=specIndex(data,specPtr[0]);
data->k_drop[1]=specIndex(data,specPtr[1]);

printf("Oxidizer index: %lu\n",data->k_oxidizer);
printf("Bath gas index:%lu\n",data->k_bath);
printf("Droplet species index:%lu\n",data->k_drop);
printf("Droplet species index:%lu,%lu\n",data->k_drop[0],data->k_drop[1]);
for (size_t i = 1; i <=data->npts; i++) {
/*Algebraic variables: indicated by ZERO.*/
Rid(i)=ZERO;
@@ -361,7 +482,8 @@ int setAlgebraicVariables(N_Vector* id, UserData data){
}
Mdotid(1)=ZERO;
Rid(1)=ONE;
Yid(1,data->k_drop)=ZERO;
Yid(1,data->k_drop[0])=ZERO;
Yid(1,data->k_drop[1])=ZERO;
Tid(data->npts)=ZERO;
if(data->constantPressure){
Pid(data->npts)=ONE;
@@ -569,8 +691,9 @@ int setInitialCondition(N_Vector* y,

//Mass of droplet
//massDrop=1.0/3.0*Rd*Rd*Rd*997.0; //TODO: The density of the droplet should be a user input
massDrop=1.0/3.0*Rd*Rd*Rd*684.0; //TODO:The density of the droplet(n-heptane) should be a user input
if(data->adaptiveGrid){
//massDrop=1.0/3.0*Rd*Rd*Rd*684.0; //TODO:The density of the droplet(n-heptane) should be a user input
massDrop = 1.0/3.0*Rd*Rd*Rd*data->dropRho;
if(data->adaptiveGrid){
psidata = data->grid->xOld;
}
else{
@@ -903,7 +1026,7 @@ int residue(double t, N_Vector y, N_Vector ydot, N_Vector res, void *user_data){
size_t npts=data->npts;
size_t nsp=data->nsp;
size_t k_bath = data->k_bath;
size_t k_drop = data->k_drop;
size_t k_drop[2] = {data->k_drop[0],data->k_drop[1]};

ydata = N_VGetArrayPointer_OpenMP(y);
ydotdata= N_VGetArrayPointer_OpenMP(ydot);
@@ -952,7 +1075,7 @@ int residue(double t, N_Vector y, N_Vector ydot, N_Vector res, void *user_data){
double rhomhalf, rhom, lambdamhalf, YVmhalf[nsp],
rho,
rhophalf, lambdaphalf, YVphalf[nsp],
Cpb, Cvb, Cp[nsp], Cpl, dHvl, rhol, wdot[nsp], enthalpy[nsp], energy[nsp],
Cpb, Cvb, Cp[nsp], Cpl[2], dHvl[2], rhol, wdot[nsp], enthalpy[nsp], energy[nsp],
tranTerm, diffTerm, srcTerm, advTerm,
area,areamhalf,areaphalf,aream,areamhalfsq,areaphalfsq;
@@ -982,24 +1105,46 @@ int residue(double t, N_Vector y, N_Vector ydot, N_Vector res, void *user_data){
//Cpl= 5.67508633e-07*pow(T(1),4) - 7.78060597e-04*pow(T(1),3) + 4.08310544e-01*pow(T(1),2) //J/kg/K for liquid water
// - 9.62429538e+01*T(1) + 1.27131046e+04;
/*Update specific heat:Cpl for liquid n-heptane*/
/*Update specific heat:Cpl for liquid proprane&n-heptane&dodecane*/
/*Based on the existiong data,a linear expression is used*/
// Cpl= 12.10476*T(1) - 746.60143; // Unit:J/(kg*K), Need to be improved later
Cpl = 2242.871642; //Unit:J/(kg*K),range:25~520K,Ginnings&Furukawa,NIST
Cpl[0] = 2.423*T(1)+1661.074; //Unit:J/(kg*K),range:1atm,propane
Cpl[1] = 3.336*T(1)+1289.5; //Unit:J/(kg*K),range:1atm,n-Heptane
//Cpl[1] = 3.815*T(1)+1081.8; //Unit:J/(kg*K),range:1atm,n-Dodecane
double Cp_l = 0.0;
for(size_t i=0;i<=1;i++){
Cp_l=Cp_l+Cpl[i]*data->dropMassFrac[i];
}

//dHvl=2.260e6; //J/kg heat of vaporization of water
//double Tr = T(1)/647.1; //Reduced Temperature: Droplet Temperature divided by critical temperature of water
//dHvl= 5.2053e07*pow(1-Tr,0.3199 - 0.212*Tr + 0.25795*Tr*Tr)/18.01; //J/kg latent heat of vaporization of water
double Tr = T(1)/540.2; //Reduced Temperature:Droplet Temperature divided by critical temperature of liquid n-heptane, Source:NIST
dHvl = 5.366e5*exp(-0.2831*Tr) * pow((1-Tr),0.2831); //Unit:J/kg, latent heat of vaporization of liquid n-heptane, Source: NIST
double Tr1 = T(1)/369.8; //Reduced Temperature;
dHvl[0] = 6.32716e5*exp(-0.0208*Tr1)*pow((1-Tr1),0.3766); //Unit:J/kg,Latent Heat of Vaporizaiton of Liquid n-propane,NIST

double Tr2 = T(1)/540.2; //Reduced Temperature:Droplet Temperature divided by critical temperature of liquid n-heptane, Source:NIST
dHvl[1] = 5.366e5*exp(-0.2831*Tr2) * pow((1-Tr2),0.2831); //Unit:J/kg, latent heat of vaporization of liquid n-heptane, Source: NIST
double dHv_l = 0.0;
for(size_t i=0;i<=1;i++){
dHv_l=dHv_l+dHvl[i]*data->dropMassFrac[i];
}

/*Following section is related to the property of water*/
//rhol = 997.0;
//massDrop=1.0/3.0*R(1)*R(1)*R(1)*997.0; //TODO: The density of the droplet should be a user input
/*Following section is related to the property of liquid n-heptane (mainly density rho)*/
rhol = 684.0; //Unit:kg/m^3
/*Following section is related to the property of liquid n-heptane and n-dodecane (mainly density rho)*/
/*Density of these two species should be temperature dependent*/
data->dropDens[0] = -1.046*T(1)+823.794; //Unit:kg/m^3,density of propane @1atm
data->dropDens[1] = -0.858*T(1)+933.854; //Unit:kg/m^3,density of n-Heptane @1atm
//data->dropDens[1] = -0.782*T(1)+979.643; //Unit:kg/m^3,density of n-Dodecane @1atm
//rhol = data->dropRho; //Unit:kg/m^3
rhol = 0.0;
for(size_t i=0;i<=1;i++){
rhol = rhol + data->dropMassFrac[i]*data->dropDens[i];
}
massDrop = 1.0/3.0*R(1)*R(1)*R(1)*rhol; //Unit:kg, this is the mass of liquid droplet

aream= calc_area(R(1),&m);
@@ -1038,18 +1183,24 @@ int residue(double t, N_Vector y, N_Vector ydot, N_Vector res, void *user_data){
/*Following using the Antoine Parameters to calculate the pressure of volatile component(n-heptane)*/
//Antoine parameter from NIST website
double p_i=0.0 ;
p_i = 1.0e5*pow(10,4.02832-(1268.636/(T(1)-56.199))) ; //unit:Pa,FOR N-HEPTANE
double p_i[2]={0.0,0.0} ;
p_i[0] = 1.0e5*pow(10,4.53678-(1149.36/(T(1)+24.906)))*data->dropMassFrac[0] ; //unit:Pa,For N-PROPANE
p_i[1] = 1.0e5*pow(10,4.02832-(1268.636/(T(1)-56.199)))*data->dropMassFrac[1] ; //unit:Pa,FOR N-HEPTANE
//p_i = 1.0e3*pow(2.71828,16.7-(4060.0/(T(1)-37.0))); //Unit:Pa,FOR WATER
Yres(1,k_drop)=Y(1,k_drop) - p_i * data->gas->molecularWeight(k_drop-1)
/ P(1) / data->gas->meanMolecularWeight();
sum=sum+Y(1,k_drop);
//Yres(1,k_drop)=Y(1,k_drop) - p_i * data->gas->molecularWeight(k_drop-1)
// / P(1) / data->gas->meanMolecularWeight();
for(size_t i=0;i<=1;i++){
Yres(1,k_drop[i])=Y(1,k_drop[i])-p_i[i]*data->gas->molecularWeight(k_drop[i]-1)/(P(1)*data->gas->meanMolecularWeight());
}

Mdotres(1)=Mdot(1) - (YVmhalf(k_drop)*areamhalf) / (1-Y(1,k_drop)); //Evaporating mass
sum=sum+Y(1,k_drop[0])+Y(1,k_drop[1]);

//Mdotres(1)=Mdot(1) - (YVmhalf(k_drop)*areamhalf) / (1-Y(1,k_drop)); //Evaporating mass
Mdotres(1)= Mdot(1) - ((YVmhalf(k_drop[0])+YVmhalf(k_drop[1])) *areamhalf) / (1-Y(1,k_drop[0])-Y(1,k_drop[1]) ); //Evaporating mass
for (k = 1; k <=nsp; k++) {
if(k!=k_bath && k!=k_drop){
if(k!=k_bath && k!=k_drop[0] && k!=k_drop[1]){
//TODO: May need to include chemical source term
Yres(1,k)=Y(1,k)*Mdot(1) + YVmhalf(k)*areamhalf;
//Yres(1,k)=YVmhalf(k)*areamhalf;
@@ -1076,14 +1227,19 @@ int residue(double t, N_Vector y, N_Vector ydot, N_Vector res, void *user_data){
if(data->dirichletInner){
//Tres(1)=Tdot(1);
//Tres(1)=T(1)-data->innerTemperature;
Tres(1)=lambdamhalf*rhomhalf*areamhalfsq*(T(2)-T(1))/((psi(2)-psi(1))*mass)/dHvl - YVmhalf(k_drop)*areamhalf/(1-Y(1,k_drop));
/*Following code should be revised in the future*/
//Tres(1)=lambdamhalf*rhomhalf*areamhalfsq*(T(2)-T(1))/((psi(2)-psi(1))*mass)/dHv_l - YVmhalf(k_drop)*areamhalf/(1-Y(1,k_drop));
}else{
//Tres(1)=Tdot(1) -
// (rhomhalf*areamhalfsq*lambdamhalf*(T(2)-T(1))/((psi(2)-psi(1))*mass) - Mdot(1)*dHvl)
// / (massDrop * Cpl);
//Tres(1)=Tdot(1) -
// (areamhalf*lambdamhalf*(T(2)-T(1))/(R(2)-R(1)) - Mdot(1)*dHvl)
// / (massDrop * Cpl);
Tres(1)=Tdot(1) -
(areamhalf*lambdamhalf*(T(2)-T(1))/(R(2)-R(1)) - Mdot(1)*dHvl)
/ (massDrop * Cpl);
(areamhalf*lambdamhalf*(T(2)-T(1))/(R(2)-R(1)) - Mdot(1)*dHv_l)
/ (massDrop * Cp_l);



@@ -1720,25 +1876,25 @@ void resetTolerance(UserData data, N_Vector* y,N_Vector* atolv)
ydata = N_VGetArrayPointer_OpenMP(*y);
atolvdata = N_VGetArrayPointer_OpenMP(*atolv);
double relTol,radTol,tempTol,presTol,massFracTol,bathGasTol,mdotTol;
double maxT=0.00, ignT=1800;
double maxT=0.00, deltaT=400.0;
relTol = 1.0e-03 ;
radTol = 1.0e-05 ;
tempTol = 1.0e-01 ;
presTol = 1.0e00 ;
massFracTol = 1.0e-08;
bathGasTol = 1.0e-04 ;
mdotTol = 1.0e-09 ;
tempTol = 1.0e-03 ;
presTol = 1.0e-3 ;
massFracTol = 1.0e-06;
bathGasTol = 1.0e-05 ;
mdotTol = 1.0e-10 ;


/*Get the maximum Tempture*/
/*Get the maximum Temperature*/
for (size_t i =1;i <= data->npts;i++){
if(T(i) > maxT){
maxT = T(i);
}
}

/*reset the tolerance when maxT > ignT*/
if(maxT >= ignT){
/*reset the tolerance when maxT > initialTemperature +deltaT*/
if(maxT >= (data->initialTemperature + deltaT)){
data->relativeTolerance = relTol;

for(size_t i =1; i<=data->npts; i++){


+ 6
- 0
residue.h View File

@@ -7,6 +7,8 @@
#ifndef PRINT_DEF
#define PRINT_DEF
#include <string.h> //for strings
#include <string>
#include <cstring>
#include <stdio.h> //for printf,scanf
#include <stdlib.h> //for atoi, atof
#endif
@@ -19,6 +21,10 @@

#include "UserData.h"

void REGRID(double* ydata,double* ydotdata,UserData data);

void INTERPO(double* y,double* ydot,const size_t nvar,size_t nPts,const double XNEW[], const double XOLD[]);

double maxTemperaturePosition(const double* y,const size_t nt,const size_t nvar,const double* x ,size_t nPts);

double maxTemperature(const double* y,const size_t nt, const size_t nvar, size_t nPts);


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