program hw4a

!----------------------------------------------------------------------------------
-----------
integer:: i,j,l,idim,ignited
double precision:: t_f,dt,m,V,cp,R,Z,m_dot
double precision:: W_h,W_h2,W_h2o,W_o2,W_n2,W_mixture
double precision:: Tu,Y_hu,Y_h2u,Y_h2ou,Y_o2u,Y_n2u
double precision:: T_old,Y_h_old,Y_h2_old,Y_h2o_old,Y_o2_old,Y_n2_old
double precision:: T_new,Y_h_new,Y_h2_new,Y_h2o_new,Y_o2_new,Y_n2_new,tt_new
double precision:: Y_h_temp,Y_h2_temp,Y_h2o_temp,Y_o2_temp
double precision:: C_h,C_h2,C_h2o,C_o2,C_n2,C_oh,C_o,C_ho2,C_M,w_I,w_II
double precision, dimension(:), allocatable:: B,n,E,k,t_igni,P
character(len=30)::filename
!----------------------------------------------------------------------------------
-----------
!Define control parameters and allocate arrays
m_dot=0.0D0; filename='hw4a_data.txt'
t_f=3D-1;
dt=1D-8; idim=10;
allocate(B(16),n(16),E(16),k(16),t_igni(idim),P(idim))
Tu=975.0D0; t_igni(:)=-1.0D0
V=1D6; cp=1.4D0;
do i=1,idim
P(i)=1.01325D5*i
end do
!----------------------------------------------------------------------------------
-----------
!Define constants
R=8.3145D0;
B=(/2.000E+14, 1.568E+13, 5.060E+04, 2.222E+04, 1.000E+08, 4.312E+08,
1.500E+09,&
1.473E+10, 2.300E+18, 3.190E+18, 1.500E+14, 2.500E+13, 6.000E+13,
4.400E+06,&
4.956E+08, 2.200E+04/);
n=(/0.0e0, 0.0e0, 2.67e0, 2.67e0, 1.6e0, 1.6e0, 1.14e0, 1.14e0, -0.8e0,&
-0.8e0, 0.0e0, 0.0e0, 0.0e0, 1.5e0, 1.5e0, 3.0e0 /)
E=(/7.0300E+04, 3.5200E+03, 2.6300E+04, 1.8290E+04, 1.3800E+04, 7.6460E+04,
4.2000E+02,&
7.1090E+04, 0.0000E+00, 1.9539E+05, 4.2000E+03, 2.9000E+03, 0.0000E+00, -
3.1000E+03,&
8.9760E+04, 3.6600E+04/)
!Sequence 1f(1) 1b(2) 2f(3) 2b(4) 3f(5) 3b(6) 4f(7) 4b(8) 5f(9) 5b(10) 6(11) 7(12)
!8(13) 18f(14) 18b(15) 38f(16)
W_h=1.008D-3; W_h2=2.016D-3; W_h2o=18.016D-3; W_o2=32.0D-3; W_n2=28.016D-3;
!----------------------------------------------------------------------------------
-----------
!Define initial values
Z=1/(1+(0.5D0*W_o2/W_h2/0.232D0));
Y_h2u=Z; Y_o2u=0.232D0*(1.0D0-Z);
Y_hu=1D-12; Y_h2ou=1D-12; Y_n2u=1.0D0-Y_o2u-Y_h2u;
W_mixture=1.0D0/(Y_h2u/W_h2+Y_o2u/W_o2+Y_n2u/W_n2)
!----------------------------------------------------------------------------------
-----------
!Begins loops
do i=1,idim !Loop over pressures
!------------------------------------------
!Reinitialize values for new pressure
ignited=0;
m=P(i)*(V/1D6)/(R/W_mixture)/Tu;
 T_old=Tu; Y_h_old=Y_hu; Y_h2_old=Y_h2u; Y_h2o_old=Y_h2ou; Y_o2_old=Y_o2u;
Y_n2_old=Y_n2u;
!------------------------------------------
do j=1,nint(t_f/dt) !Euler forward iterations
tt_new=j*dt;
!Define intermediate quantities
do l=1,size(k)
k(l)=B(l)*(T_old**n(l))*exp(-E(l)/R/T_old);
end do
C_h=(m/V)*(Y_h_old/W_h); C_h2=(m/V)*(Y_h2_old/W_h2);
C_h2o=(m/V)*(Y_h2o_old/W_h2o); C_o2=(m/V)*(Y_o2_old/W_o2);
C_n2=(m/V)*(Y_n2_old/W_n2);
C_oh=(k(6)/k(5))*(C_h2o*C_h/C_h2);
C_o=(k(1)*C_o2*C_h+k(4)*C_oh*C_h+k(7)*C_oh**2)/
(k(2)*C_oh+k(3)*C_h2+k(8)*C_h2o);
C_M=C_h2+6.5*C_h2o+0.4*C_o2+0.4*C_n2;
C_ho2=k(9)*C_o2*C_h*C_M/(k(10)*C_M+(k(11)+k(12))*C_h+k(13)*C_oh);
w_I=k(1)*C_o2*C_h-k(2)*C_oh*C_o+k(11)*C_ho2*C_h;
w_II=k(9)*C_o2*C_h*C_M-k(10)*C_ho2*C_M;
!------------------------------------------
!Temperature estimation
T_new=T_old+dt*((m_dot/m)*(Tu-T_old)+(V/m/cp)*(47.68*w_I+435.972*w_II));
!Mass fraction estimation
Y_h_temp=Y_h_old+dt*((m_dot/m)*(Y_hu-Y_h_old)+(V*W_h/m)*(2*w_I-2*w_II));
Y_h_new=max(1D-12, Y_h_temp);
Y_h2_temp=Y_h2_old+dt*((m_dot/m)*(Y_h2u-Y_h2_old)+(V*W_h2/m)*(-
3*w_I+w_II));
Y_h2_new=max(1D-12, Y_h2_temp);
Y_h2o_temp=Y_h2o_old+dt*((m_dot/m)*(Y_h2ou-Y_h2o_old)+(V*W_h2o/m)*(2*w_I));
Y_h2o_new=max(1D-12, Y_h2o_temp);
Y_o2_temp=Y_o2_old+dt*((m_dot/m)*(Y_o2u-Y_o2_old)+(V*W_o2/m)*(-w_I));
Y_o2_new=max(1D-12, Y_o2_temp);
Y_n2_new=max(1D-12, 1-Y_h_new-Y_h2_new-Y_h2o_new-Y_o2_new);
!------------------------------------------
!Check for ignition
if(Y_h2_new .le. 2.5D-1*Y_h2u) then !Less than 25% fuel left = ignition
t_igni(i)=tt_new
ignited=1
exit
end if
!------------------------------------------
!Update values for next iteration
T_old=T_new; Y_h_old=Y_h_new; Y_h2_old=Y_h2_new;
Y_h2o_old=Y_h2o_new; Y_o2_old=Y_o2_new; Y_n2_old=Y_n2_new;
end do
!------------------------------------------
!Display
if(ignited == 1) then
print *, P(i), tt_new
else
print *, P(i), tt_new, 'No ignition'
end if
end do
!----------------------------------------------------------------------------------
-----------
!Save data
call arraytotxt(P,t_igni,idim,filename)
deallocate(B,n,E,k,P,t_igni)
end program hw4a
!----------------------------------------------------------------------------------
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!----------------------------------------------------------------------------------
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subroutine arraytotxt(P,t_igni,icount,filename)
integer:: i,icount
character(len=30)::filename
double precision, dimension(icount) :: P,t_igni
open(unit=11, file=filename, status="replace", action="write")
do i=1,icount
write(11,"(F35.20)",advance='no') P(i)
write(11, '(A)',advance='no') " "
write(11,"(F35.20)") t_igni(i)
end do
close(11)
end subroutine arraytotxt