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add updated CFC cross section datasets #29

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Jan 12, 2024
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add updated CFC cross section datasets #29

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Binary file added data/cross_sections/CF2CL2_JPL06.nc
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383 changes: 309 additions & 74 deletions examples/ts1_tsmlt.json
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137 changes: 102 additions & 35 deletions src/cross_sections/temperature_based.F90
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445 changes: 441 additions & 4 deletions test/data/xsqy.doug.config.json
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12 changes: 12 additions & 0 deletions test/unit/tuv_doug/JCALC/CMakeLists.txt
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Expand Up @@ -4,10 +4,22 @@
target_sources(tuv_doug
PRIVATE
XSQY_BRO.f
XSQY_CF2CL2.f
XSQY_CFC113.f
XSQY_CFC114.f
XSQY_CFC115.f
XSQY_CFCL3.f
XSQY_CH2BR2.f
XSQY_CH3BR.f
XSQY_CHBR3.f
XSQY_CL2O2.f
XSQY_CLO.f
XSQY_H2O.f
XSQY_H1301.f
XSQY_H2402.f
XSQY_HCFC22.f
XSQY_HCFC141b.f
XSQY_HCFC142b.f
XSQY_HNO3.f
XSQY_N2O5.f
)
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234 changes: 234 additions & 0 deletions test/unit/tuv_doug/JCALC/XSQY_CF2CL2.f
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subroutine XSQY_CF2CL2(nw,wl,wc,nz,tlev,airlev,j,sq,jlabel,pn)
!-----------------------------------------------------------------------------!
! purpose: !
! provide product (cross section) x (quantum yield) for cf2cl2 photolysis: !
! CF2Cl2 + hv -> 2Cl !
! cross section: from JPL06 recommendation !
! quantum yield: assumed to be unity !
!-----------------------------------------------------------------------------!
! parameters: !
! nw - integer, number of specified intervals + 1 in working (i) !
! wavelength grid !
! wl - real, vector of lower limits of wavelength intervals in (i) !
! working wavelength grid !
! wc - real, vector of center points of wavelength intervals in (i) !
! working wavelength grid !
! nz - integer, number of altitude levels in working altitude grid (i) !
! tlev - real, temperature (k) at each specified altitude level (i) !
! airlev - real, air density (molec/cc) at each altitude level (i) !
! j - integer, counter for number of weighting functions defined (io) !
! sq - real, cross section x quantum yield (cm^2) for each (o) !
! photolysis reaction defined, at each defined wavelength and !
! at each defined altitude level !
! jlabel - character*60, string identifier for each photolysis reaction (o) !
! defined !
!-----------------------------------------------------------------------------!
! edit history: !
! 01/16/08 Doug Kinnison !
!-----------------------------------------------------------------------------!
implicit none
include 'params'

!-----------------------------------------------------------------------------!
! ... input !
!-----------------------------------------------------------------------------!
real, intent(in) :: wl(kw)
real, intent(in) :: wc(kw)
real, intent(in) :: tlev(kz)
real, intent(in) :: airlev(kz)

integer, intent(in) :: nz
integer, intent(in) :: nw

character*80, intent(in) :: pn
character*60, intent(out) :: jlabel(kj)
real, intent(out) :: sq(kj,kz,kw)

!-----------------------------------------------------------------------------!
! ... input/output !
!-----------------------------------------------------------------------------!
integer, intent(inout) :: j

!-----------------------------------------------------------------------------!
! ... local !
!-----------------------------------------------------------------------------!
integer kdata
parameter(kdata=300)
integer i, iw, n, idum, nloop, n1
integer ierr, iz, iwc, icnt
real x1 (kdata), y1 (kdata)
real xin (kdata), yin (kdata)
real wctmp(kdata), wcb (kdata)
real ytmp (nz,kdata), ycomb(nz,kdata)
real yg1(kw), tin (nz)
real ytd (nz,kw)
real AA(5), BB(5), lp(5)
real qy, ysave


AA(1) = -43.8954569
AA(2) = -2.403597e-1
AA(3) = -4.2619e-4
AA(4) = 9.8743e-6

BB(1) = 4.8438e-3
BB(2) = 4.96145e-4
BB(3) = -5.6953e-6

lp(1) = 0.0
lp(2) = 1.0
lp(3) = 2.0
lp(4) = 3.0
lp(5) = 4.0

!---------------------------------------------------
! ... tin set to tlev
!---------------------------------------------------
tin(:) = tlev(:)

!---------------------------------------------------
! ... jlabel(j) = 'CF2Cl2 + hv -> 2Cl'
!---------------------------------------------------
j = j+1
jlabel(j) = 'CF2Cl2 + hv -> 2Cl'

!---------------------------------------------------
! Derive temperature dependence
!---------------------------------------------------
! Temperature dependence good between
! 220-296K and 200 nm-231 nm
!---------------------------------------------------
iwc = 1
ytmp(:,:)= 0.0

do iw = 1, nw-1

IF ((wc(iw) .GE. 200.) .AND. (wc(iw) .LE.231.)) THEN

do iz = 1, nz

IF (tin(iz) .LT. 220.) THEN
do nloop = 1, 4
ytmp(iz,iwc) = ytmp(iz,iwc)
& + AA(nloop)* (wc(iw)-200.)**lp(nloop)
enddo
do nloop = 1, 3
ytmp(iz,iwc) = ytmp(iz,iwc)
& + (220.-296.)* BB(nloop)*(wc(iw)-200.)**lp(nloop)
enddo
wctmp(iwc) = wc(iw)
ENDIF

IF ((tin(iz) .GE. 220.).AND.(tin(iz) .LE. 296.)) THEN
do nloop = 1, 4
ytmp(iz,iwc) = ytmp(iz,iwc)
& + AA(nloop)* (wc(iw)-200.)**lp(nloop)
enddo
do nloop = 1, 3
ytmp(iz,iwc) = ytmp(iz,iwc)
& + (tin(iz)-296.)* BB(nloop)*(wc(iw)-200.)**lp(nloop)
enddo
wctmp(iwc) = wc(iw)
ENDIF

IF (tin(iz) .GT. 296.) THEN
do nloop = 1, 4
ytmp(iz,iwc) = ytmp(iz,iwc)
& + AA(nloop)* (wc(iw)-200.)**lp(nloop)
enddo
wctmp(iwc) = wc(iw)
ENDIF

enddo
iwc = iwc+ 1

ENDIF

enddo
!---------------------------------------------------
! ... For wavelengths >232 nm and <200 nm
!---------------------------------------------------
open(kin,file=TRIM(pn)//'XS_CF2CL2_JPL06.txt',status='old')

read(kin,*) idum, n
do i = 1, idum-2
read(kin,*)
enddo

do i = 1, n
read(kin,*) xin(i), yin(i)
enddo

close(kin)
!---------------------------------------------------
! ... Combine cross sections
!---------------------------------------------------
do iz = 1, nz
icnt = 1

! ... < 200nm
do i = 1, n
IF (xin(i) .LT. 200.) THEN
ycomb(iz,icnt) = yin(i)
wcb (icnt) = xin(i)
icnt = icnt + 1
ENDIF
enddo
! ... 200-231 nm
do i = 1, iwc-1
ycomb(iz,icnt) = exp(ytmp(iz,i))
wcb (icnt) = wctmp(i)
icnt = icnt+1
enddo
! ... >231nm
do i = 1, n
IF (xin(i) .GT. 231.) THEN
ycomb(iz,icnt) = yin(i)
wcb (icnt) = xin(i)
icnt = icnt+1
ENDIF
enddo
enddo
!---------------------------------------------------
! ... interpolate
!---------------------------------------------------
do iz = 1, nz
n1 = icnt-1
y1 = ycomb(iz,:)
x1 = wcb
!---------------------------------------------------
! do iw = 1, icnt-1
! print*, iw, wcb(iw), ycomb(iz,iw), tin(iz)
! enddo
! stop
!---------------------------------------------------
call addpnt(x1,y1,kdata,n1,x1(1)*(1.-deltax),0.)
call addpnt(x1,y1,kdata,n1, 0.,0.)
call addpnt(x1,y1,kdata,n1,x1(n1)*(1.+deltax),0.)
call addpnt(x1,y1,kdata,n1, 1e38,0.)
call inter2(nw,wl,yg1,n1,x1,y1,ierr)
ytd(iz,:) = yg1(:)

if (ierr .ne. 0) then
write(*,*) ierr, jlabel(j)
stop
endif
enddo
!--------------------------------------------------
! iz = 1
! do iw = 19, 64
! print*, iw, wc(iw), ytd(iz,iw), tin(iz)
! enddo
! stop
!--------------------------------------------------
!--------------------------------------------------
! ...quantum yield assumed to be unity
!--------------------------------------------------
qy = 1.
do iw = 1, nw-1
do iz = 1, nz
sq(j,iz,iw) = qy * ytd(iz,iw)
enddo
enddo

end subroutine XSQY_CF2CL2
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