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- !#################################################################
- !
- ! Eulerian backward Iteration
- ! Chemistry solver for the CBM4 scheme
- !
- !### macro's #####################################################
- !
- #define TRACEBACK write (gol,'("in ",a," (",a,", line",i5,")")') rname, __FILE__, __LINE__; call goErr
- #define IF_NOTOK_RETURN(action) if (status/=0) then; TRACEBACK; action; return; end if
- #define IF_ERROR_RETURN(action) if (status> 0) then; TRACEBACK; action; return; end if
- !
- #include "tm5.inc"
- !
- !#################################################################
- module ebischeme
- !
- ! use GO, only : gol, goPr, goErr
- !
- ! implicit none
- !
- ! private
- !
- ! public :: ebi
- !
- !
- !contains
- !
- !
- ! subroutine ebi(region,level,rj,rr,y,ye)
- ! !
- ! ! perform Eulerian backwards chemistry at one model layer level in region
- ! ! input:
- ! ! region : region
- ! ! level: model layer...
- ! ! rj : array of photolysis rates
- ! ! rr : array of reaction rates
- ! ! y : vector of concentrations (to be returned...)
- ! !
- !#ifdef MPI
- ! use mpi_const,only : lmar,lmloc,myid
- !#endif
- ! use chem_param
- ! use dims, only: isr, ier, jsr,jer,im ,jm, nchem, tref, okdebug
- ! use global_data, only: region_dat
- ! use toolbox, only: dumpfield
- ! use dry_deposition, only: vd
- ! !type(emis_data),dimension(nregions,ntrace) :: vd
- !
- ! implicit none
- !
- ! ! input/output
- ! integer, intent(in) :: region,level
- ! real,dimension(im(region),jm(region),nreac),intent(in):: rr
- ! real,dimension(im(region),jm(region),nj ),intent(in):: rj
- ! real,dimension(im(region),jm(region),maxtrace) :: y
- ! real,dimension(im(region),jm(region),n_extra) :: ye
- !
- ! ! local
- ! integer,dimension(:,:),pointer :: zoomed
- ! real,dimension(:,:,:),allocatable :: cr2,cr3,cr4 !reaction budgets...
- ! real,dimension(:,:,:),allocatable :: y0
- !
- ! real :: dtime
- ! integer :: iterebi,i,j,ib,maxit,iter
- ! integer :: offsetl
- !
- ! real :: R57,R89,P1,R12,R21,XL1,P2,XL2,P3,XL3,X1,X2,X3
- ! real :: C1,C2,C3,Y2,XJT,R21T,R12T,R12TC,R21TC,XJTC,ACUB,BCUB,CCUB
- ! real :: CUBDET,DNO2,R56,R65,R75,P5,XL5,R66,X5,P6,XL6,X6,C6,XL7
- ! real :: Y1,C7,R98,P8,XL8,X4,C5,XL9,R1920,R1919,P19,XL19,R2019,XL20
- ! real :: XLHNO3,PH2O2,XLH2O2,PCH2O,PCO,PHNO3,XLCH2O,PCH3O2,XLCH3O2
- ! real :: PCH3O2H,XLCH3O2H,PALD2,XLALD2,PMGLY,XLMGLY,POLE,XLETH
- ! real :: XLOLE,XLISOP,PRXPAR,XLRXPAR,PPAR,XLPAR,PROR,XLROR,PXO2
- ! real :: XLXO2,PXO2N,XLXO2N,PROOH,XLROOH,PORGNTR,XLORGNTR,XLCO
- !
- ! real :: dt,dt2
- ! real :: qdms,pso2,qso2,qso2d,qnh3,pnh2,qnh2,qdms1,qdms2,pmsa,fnoy
- !
- ! integer :: io,sfstart,sfend
- !
- ! ! for vectorization/blocking ....
- ! ! npts can be varied to optimize cache memory management.
- ! integer,parameter :: npts=15
- ! integer,dimension(npts) :: ipts,jpts
- ! real,dimension(npts,nreac) :: rrv
- ! real,dimension(npts,nj ) :: rjv
- ! real,dimension(npts,ntrace) :: vdv ! deposition velocities
- ! real,dimension(npts) :: emino
- ! real,dimension(npts,maxtrace) :: yv,y0v
- ! integer :: iv,itrace,ivt,n
- !
- ! ! start
- !
- ! zoomed => region_dat(region)%zoomed
- !
- ! offsetl=0
- !#ifdef MPI
- ! if(myid>0) offsetl=sum(lmar(0:myid-1))
- !#endif
- ! dtime=nchem/(2*tref(region))
- ! !CMK iterebi=max(1,nint(dtime/2400)) !needed if nchem <2400
- ! iterebi=max(1,nint(dtime/1350)) !needed if nchem <2400
- ! dt=dtime/iterebi
- !
- ! if ( okdebug ) print *, 'EBI: called with:',region,offsetl+level, &
- ! 'with dt:',dt,iterebi
- !
- ! !cmkif(level==1) then
- ! !cmkio = sfstart('ebi.hdf',dfacc_create)
- ! !cmkcall io_write3d_32(io,im(region),'im',jm(region),'jm', &
- ! ! nreac,'nreac',rr,'rr')
- ! !cmkcall io_write3d_32(io,im(region),'im',jm(region),'jm', &
- ! ! nj ,'nj ',rj,'rj')
- ! !cmkcall io_write3d_32(io,im(region),'im',jm(region),'jm', &
- ! ! maxtrace,'maxtrace',y,'y')
- ! !cmkcall io_write3d_32(io,im(region),'im',jm(region),'jm', &
- ! ! n_extra,'n_extra',ye,'ye')
- ! !cmkio = sfend(io)
- ! !cmkend if
- !
- ! allocate(y0(im(region),jm(region),maxtrace))
- ! allocate(cr2(im(region),jm(region),nj ))
- ! allocate(cr3(im(region),jm(region),nreac))
- ! allocate(cr4(im(region),jm(region),nreacw))
- !
- ! !*** SCALING OF NOx, which has changed due to transport/deposition
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! y(i,j,ino) =max(1e-3,y(i,j,ino))
- ! y(i,j,ino2) =max(1e-3,y(i,j,ino2))
- ! y(i,j,ino3) =max(1e-3,y(i,j,ino3))
- ! y(i,j,in2o5)=max(1e-3,y(i,j,in2o5))
- ! y(i,j,ihno4)=max(1e-3,y(i,j,ihno4))
- ! fnoy=y(i,j,ino)+y(i,j,ino2)+y(i,j,ino3)+2.*y(i,j,in2o5)+y(i,j,ihno4)
- ! fnoy=y(i,j,inox)/fnoy
- ! y(i,j,ino) =fnoy*y(i,j,ino)
- ! y(i,j,ino2) =fnoy*y(i,j,ino2)
- ! y(i,j,ino3) =fnoy*y(i,j,ino3)
- ! y(i,j,in2o5)=fnoy*y(i,j,in2o5)
- ! y(i,j,ihno4)=fnoy*y(i,j,ihno4)
- ! end do
- ! end do
- ! !
- ! ! set budget accumulators to zero
- ! !
- ! cr2=0.
- ! cr3=0.
- ! cr4=0.
- ! !===========================================================
- ! ! ** Start iterating over CHEMISTRY
- ! !===========================================================
- ! do ib=1,iterebi
- ! maxit=8 !CMKTEMP
- ! if(offsetl+level<=3) maxit = maxit*2 ! lowest layers more iterations
- !
- ! y0 = y
- ! !-------------------------------
- ! ! wet sulphur/ammonia chemistry
- ! !------------------------------
- ! call wetS(region,level,y0,dt,y,ye,cr4)
- ! !-------------------------------------
- ! ! gasphase chemistry using EBI solver
- ! !-------------------------------------
- !
- ! !cmk NOTE this statement was there before but someone (me?) removed it.
- ! y0 = y
- !
- ! !cmk ______do EBI solver_______
- !
- ! !if (level == 19) then
- ! !call dumpfield(0,'dumpb.hdf',rr,'rr')
- ! !call dumpfield(1,'dumpb.hdf',rj,'rj')
- ! !call dumpfield(1,'dumpb.hdf',y,'y')
- ! !call dumpfield(1,'dumpb.hdf',ye,'ye')
- ! !end if
- !
- ! dt2 = dt*dt
- ! ! block the input for EBI for efficiency
- ! ! copy values with faster running index in inside loop
- ! iv = 0
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! iv = iv+1
- ! ipts(iv) = i
- ! jpts(iv) = j
- ! if(iv==npts) then
- ! ! copy reaction rates...
- ! do itrace=1,nreac
- ! do ivt=1,npts
- ! rrv(ivt,itrace) = rr(ipts(ivt),jpts(ivt),itrace)
- ! end do
- ! end do
- ! ! copy photolysis rates....
- ! do itrace=1,nj
- ! do ivt=1,npts
- ! rjv(ivt,itrace) = rj(ipts(ivt),jpts(ivt),itrace)
- ! end do
- ! end do
- ! ! copy tracer concentrations ....
- ! do itrace=1,maxtrace
- ! do ivt=1,npts
- ! yv(ivt,itrace) = y(ipts(ivt),jpts(ivt),itrace)
- ! y0v(ivt,itrace) = y0(ipts(ivt),jpts(ivt),itrace)
- ! end do
- ! end do
- ! ! deposition ....
- ! if(offsetl + level == 1) then
- ! do itrace=1,ntrace
- ! do ivt=1,npts
- ! vdv(ivt,itrace) = &
- ! vd(region,itrace)%surf(ipts(ivt),jpts(ivt)) &
- ! / ye(ipts(ivt),jpts(ivt),idz) !1/s
- ! end do
- ! end do
- ! else
- ! vdv(:,:) = 0.0
- ! end if
- ! ! copy nox emissions....
- ! do ivt=1,npts
- ! emino(ivt) = ye(ipts(ivt),jpts(ivt),ieno)
- ! end do
- ! ! do ebi solver....
- !
- ! call do_ebi(npts) !the actual EBI solver on vectorized arrays
- !
- ! do itrace=1,maxtrace
- ! do ivt=1,npts
- ! y(ipts(ivt),jpts(ivt),itrace)=yv(ivt,itrace)
- ! end do
- ! end do
- ! iv=0
- ! end if
- ! end do
- ! end do
- ! ! do the 'remaining' points...
- ! if(iv > 0) then
- ! do itrace=1,nreac
- ! do ivt=1,iv
- ! rrv(ivt,itrace) = rr(ipts(ivt),jpts(ivt),itrace)
- ! end do
- ! end do
- ! do itrace=1,nj
- ! do ivt=1,iv
- ! rjv(ivt,itrace) = rj(ipts(ivt),jpts(ivt),itrace)
- ! end do
- ! end do
- ! do itrace=1,maxtrace
- ! do ivt=1,iv
- ! yv(ivt,itrace) = y(ipts(ivt),jpts(ivt),itrace)
- ! y0v(ivt,itrace) = y0(ipts(ivt),jpts(ivt),itrace)
- ! end do
- ! end do
- ! ! deposition ....
- ! if(offsetl + level == 1) then
- ! do itrace=1,ntrace
- ! do ivt=1,iv
- ! vdv(ivt,itrace) = &
- ! vd(region,itrace)%surf(ipts(ivt),jpts(ivt)) &
- ! / ye(ipts(ivt),jpts(ivt),idz) !1/s
- ! end do
- ! end do
- ! else
- ! vdv(:,:) = 0.0
- ! end if
- ! do ivt=1,iv
- ! emino(ivt) = ye(ipts(ivt),jpts(ivt),ieno)
- ! end do
- !
- ! call do_ebi(iv) !the actual EBI solver on remaining cells
- !
- ! do itrace=1,maxtrace
- ! do ivt=1,iv
- ! y(ipts(ivt),jpts(ivt),itrace)=yv(ivt,itrace)
- ! end do
- ! end do
- ! end if
- !
- ! call NOymass
- !
- ! !-------------------------------------
- ! ! marked tracers
- ! ! apply after correction of nitrogen components
- ! !----------------------------------------------
- !
- ! call mark_trac(region,level,y,rr,rj,dt,ye)
- !
- ! !------------------------------------------------------------
- ! ! increase budget accumulators cr2 and cr3 (cr4 is done in wetS)
- ! !------------------------------------------------------------
- !
- ! call incc2c3
- ! !===========================================================
- ! ! ** END iterating over CHEMISTRY
- ! !===========================================================
- ! end do !iterebi
- !
- ! call reacbud !add budgets for this timestep
- !
- ! deallocate(y0)
- ! deallocate(cr2)
- ! deallocate(cr3)
- ! deallocate(cr4)
- !
- ! nullify(zoomed)
- !
- ! contains
- !
- ! subroutine do_ebi(lvec)
- !
- ! integer, intent(in) :: lvec
- ! integer :: ivec
- !
- ! do ITER=1,MAXIT
- !
- !
- ! do ivec=1,lvec
- ! ! --- Short living compounds & groups
- ! ! --- First group: NO NO2 O3
- ! P1=rjv(ivec,jbno3)*yv(ivec,ino3)+emino(ivec)
- ! R12=0.
- ! R21=rrv(ivec,kho2no)*yv(ivec,iho2)+rrv(ivec,kmo2no)*yv(ivec,ich3o2)&
- ! +rrv(ivec,kc79)*yv(ivec,ixo2)+rrv(ivec,kc46)*yv(ivec,ic2o3)
- ! XL1=rrv(ivec,knono3)*yv(ivec,ino3)+rrv(ivec,kc81)*yv(ivec,ixo2n)
- ! XL1 = XL1 + vdv(ivec,ino)
- ! P2=rjv(ivec,jhno3)*yv(ivec,ihno3)+rjv(ivec,jn2o5)*yv(ivec,in2o5)&
- ! +rrv(ivec,kn2o5)*yv(ivec,in2o5)+rjv(ivec,jano3)*yv(ivec,ino3)&
- ! +yv(ivec,ihno4)*(rjv(ivec,jhno4)+rrv(ivec,khno4m)+rrv(ivec,khno4oh)&
- ! *yv(ivec,ioh))+2.*rrv(ivec,knono3)*yv(ivec,ino3)*yv(ivec,ino)&
- ! +rrv(ivec,kc48)*yv(ivec,ipan)+rrv(ivec,kc59)*yv(ivec,iole)*yv(ivec,ino3)&
- ! +rrv(ivec,kc84)*yv(ivec,iorgntr)*yv(ivec,ioh)+rjv(ivec,jorgn)&
- ! *yv(ivec,iorgntr)+rjv(ivec,jpan)*yv(ivec,ipan)+0.1*rrv(ivec,kc78) *yv(ivec,iisop)*yv(ivec,ino3)
- ! XL2=rrv(ivec,kno2oh)*yv(ivec,ioh)+rrv(ivec,kno2no3)*yv(ivec,ino3)&
- ! +rrv(ivec,kno2ho2)*yv(ivec,iho2)+rrv(ivec,kno2o3)*yv(ivec,io3)+rrv(ivec,kc47)*yv(ivec,ic2o3)
- ! XL2 = XL2 + vdv(ivec,ino2)
- ! P3=rjv(ivec,jano3)*yv(ivec,ino3)
- ! XL3=rrv(ivec,ko3ho2)*yv(ivec,iho2)+rrv(ivec,ko3oh)*yv(ivec,ioh)+rrv(ivec,kno2o3)&
- ! *yv(ivec,ino2)+rjv(ivec,jo3d)+rrv(ivec,kc58)*yv(ivec,iole)&
- ! +rrv(ivec,kc62)*yv(ivec,ieth)+rrv(ivec,kc77)*yv(ivec,iisop)
- ! XL3 = XL3 + vdv(ivec,io3)
- !
- ! X1=y0v(ivec,ino)+P1*DT
- ! X2=y0v(ivec,ino2)+P2*DT
- ! X3=y0v(ivec,io3)+P3*DT
- ! C1=1.+XL1*DT
- ! C2=1.+XL2*DT
- ! C3=1.+XL3*DT
- ! Y1=rrv(ivec,knoo3)*DT
- ! R21T=R21*DT
- ! R12T=R12*DT
- ! XJT=rjv(ivec,jno2)*DT
- ! ! --- Oplossen onbekende x
- ! ACUB=-2.*Y1*(C2+R12T+C2*R21T/C1)
- ! BCUB=2.*C1*C2*C3+2.*C1*C3*(R12T+XJT)+2.*C2*C3*R21T+&
- ! 2.*Y1*(R12T*(X1-X2)+2.*C2*R21T*X1/C1+C2*(X1+X3))
- ! CCUB=2.*C1*C3*X2*(R12T+XJT)-2.*C2*C3*X1*R21T+2.*Y1*X1*&
- ! (X2*R12T-C2*X3-C2*R21T*X1/C1)
- ! CUBDET=BCUB*BCUB-4.*ACUB*CCUB
- ! DNO2=(-1.*BCUB+SQRT(CUBDET))/(2.*ACUB)
- ! dno2=min(x1,dno2)
- ! yv(ivec,ino2)=(X2+DNO2)/C2
- ! yv(ivec,ino)=(X1-DNO2)/C1
- ! yv(ivec,io3)=(X3+XJT*yv(ivec,ino2))/(C3+Y1*yv(ivec,ino))
- ! ! --- Second group: yv(ivec,iho2) yv(ivec,ioh) yv(ivec,ihno4)
- ! R57=rjv(ivec,jhno4)+rrv(ivec,khno4m)
- ! R56=rrv(ivec,kcooh)*yv(ivec,ico)+rrv(ivec,ko3oh)*yv(ivec,io3)+rrv(ivec,khpoh)&
- ! *yv(ivec,ih2o2)+rrv(ivec,kfrmoh)*yv(ivec,ich2o)+rrv(ivec,kh2oh)
- ! P5=2.*rjv(ivec,jbch2o)*yv(ivec,ich2o)+rrv(ivec,kc46)*yv(ivec,ic2o3)*yv(ivec,ino)&
- ! +rrv(ivec,kmo2no)*yv(ivec,ich3o2)*yv(ivec,ino)+0.66*rrv(ivec,kmo2mo2)&
- ! *yv(ivec,ich3o2)*yv(ivec,ich3o2)+rjv(ivec,jmepe)*yv(ivec,ich3o2h)&
- ! +2.*rrv(ivec,kc49)*yv(ivec,ic2o3)*yv(ivec,ic2o3)+2.*rjv(ivec,j45)&
- ! *yv(ivec,iald2)+rjv(ivec,j74)*yv(ivec,imgly)+0.11*rrv(ivec,kc52)*yv(ivec,ipar)&
- ! *yv(ivec,ioh)+0.94*rrv(ivec,kc53)*yv(ivec,iror)+rrv(ivec,kc54)*yv(ivec,iror)&
- ! +rrv(ivec,kc57)*yv(ivec,iole)*yv(ivec,ioh)+0.25*rrv(ivec,kc58)*yv(ivec,io3)&
- ! *yv(ivec,iole)+rrv(ivec,kc61)*yv(ivec,ieth)*yv(ivec,ioh)+0.26*rrv(ivec,kc62)&
- ! *yv(ivec,ieth)*yv(ivec,io3)+0.85*rrv(ivec,kc76)*yv(ivec,iisop)*yv(ivec,ioh)&
- ! +0.3*rrv(ivec,kc77)*yv(ivec,iisop)*yv(ivec,io3)+rrv(ivec,kc41)*yv(ivec,ich2o)&
- ! *yv(ivec,ino3)+rjv(ivec,jorgn)*yv(ivec,iorgntr)+0.9*rrv(ivec,kc78)*yv(ivec,iisop)*yv(ivec,ino3)
- ! XL5=rrv(ivec,kho2no)*yv(ivec,ino)+rrv(ivec,kno2ho2)*yv(ivec,ino2)&
- ! +rrv(ivec,ko3ho2)*yv(ivec,io3)+rrv(ivec,kmo2ho2)*yv(ivec,ich3o2)&
- ! +rrv(ivec,kho2oh)*yv(ivec,ioh)+rrv(ivec,kc82)*yv(ivec,ixo2)+rrv(ivec,kc85)*yv(ivec,ixo2n)
- ! R66=2.*rrv(ivec,kho2ho2)
- ! X5=y0v(ivec,iho2)+P5*DT
- ! R65=rrv(ivec,kho2no)*yv(ivec,ino)+rrv(ivec,ko3ho2)*yv(ivec,io3)
- ! P6=rjv(ivec,jhno3)*yv(ivec,ihno3)+2.*rjv(ivec,jo3d)*yv(ivec,io3)&
- ! +2.*rjv(ivec,jh2o2)*yv(ivec,ih2o2)+rjv(ivec,jmepe)*yv(ivec,ich3o2h)&
- ! +0.79*rrv(ivec,kc50)*yv(ivec,ic2o3)*yv(ivec,iho2)+0.4*rrv(ivec,kc58)&
- ! *yv(ivec,io3)*yv(ivec,iole)+0.28*rrv(ivec,kc77)*yv(ivec,iisop)*yv(ivec,io3)&
- ! +rjv(ivec,jrooh)*yv(ivec,irooh)+0.12*rrv(ivec,kc62)*yv(ivec,ieth)*yv(ivec,io3)
- ! XL6=rrv(ivec,khno4oh)*yv(ivec,ihno4)+rrv(ivec,kho2oh)*yv(ivec,iho2)&
- ! +rrv(ivec,kno2oh)*yv(ivec,ino2)+rrv(ivec,kohhno3)*yv(ivec,ihno3)&
- ! +rrv(ivec,kcooh)*yv(ivec,ico)+rrv(ivec,ko3oh)*yv(ivec,io3)+rrv(ivec,khpoh)&
- ! *yv(ivec,ih2o2)+rrv(ivec,kfrmoh)*yv(ivec,ich2o)+rrv(ivec,kch4oh)&
- ! *yv(ivec,ich4)+0.7*rrv(ivec,kohmper)*yv(ivec,ich3o2h)+rrv(ivec,kc43)&
- ! *yv(ivec,iald2)+rrv(ivec,kc73)*yv(ivec,imgly)+rrv(ivec,kc52)&
- ! *yv(ivec,ipar)+rrv(ivec,kc57)*yv(ivec,iole)+rrv(ivec,kc61)*yv(ivec,ieth)&
- ! +rrv(ivec,kc76)*yv(ivec,iisop)+0.7*rrv(ivec,kohrooh)*yv(ivec,irooh)&
- ! +rrv(ivec,kc84)*yv(ivec,iorgntr)+rrv(ivec,kh2oh)&
- ! +(rrv(ivec,kdmsoha)+rrv(ivec,kdmsohb)) *yv(ivec,idms) +rrv(ivec,knh3oh)*yv(ivec,inh3) !sulfur
- !
- ! X6=y0v(ivec,ioh)+P6*DT
- ! C6=1.+XL6*DT
- ! R75=rrv(ivec,kno2ho2)*yv(ivec,ino2)
- ! XL7=rjv(ivec,jhno4)+rrv(ivec,khno4oh)*yv(ivec,ioh)+rrv(ivec,khno4m)
- ! XL7 = XL7 + vdv(ivec,ihno4)
- ! C7=1.+XL7*DT
- ! Y1=R57/C7
- ! Y2=R56/C6
- ! ACUB=R66*DT
- ! BCUB=1.+XL5*DT-DT2*(Y1*R75+Y2*R65)
- ! CCUB=-1.*X5-DT*(Y1*y0v(ivec,ihno4)+Y2*X6)
- ! CUBDET=BCUB*BCUB-4.*ACUB*CCUB
- ! CUBDET=MAX(CUBDET,1.E-20)
- ! yv(ivec,iho2)=max(0.1,(-1.*BCUB+SQRT(CUBDET))/(2.*ACUB))
- ! yv(ivec,ioh)=(X6+R65*yv(ivec,iho2)*DT)/C6
- ! yv(ivec,ihno4)=(y0v(ivec,ihno4)+R75*DT*yv(ivec,iho2))/C7
- ! ! --- Third group: NO3 N2O5
- ! R89=rjv(ivec,jn2o5)+rrv(ivec,kn2o5)
- ! P8=rrv(ivec,kohhno3)*yv(ivec,ihno3)*yv(ivec,ioh)+rrv(ivec,kno2o3)*yv(ivec,ino2)*yv(ivec,io3)
- ! XL8=rjv(ivec,jbno3)+rjv(ivec,jano3)+rrv(ivec,knono3)*yv(ivec,ino)&
- ! +rrv(ivec,kno2no3)*yv(ivec,ino2)+rrv(ivec,kc44)*yv(ivec,iald2)+rrv(ivec,kc59)&
- ! *yv(ivec,iole)+rrv(ivec,kc78)*yv(ivec,iisop)+rrv(ivec,kc41)*yv(ivec,ich2o)+rrv(ivec,kdmsno3)*yv(ivec,idms)
- ! XL8 = XL8 + vdv(ivec,ino3)
- ! X4=y0v(ivec,ino3)+P8*DT
- ! C5=1.+XL8*DT
- ! R98=rrv(ivec,kno2no3)*yv(ivec,ino2)
- ! XL9=rjv(ivec,jn2o5)+rrv(ivec,kn2o5)+rrv(ivec,kn2o5aq)+rrv(ivec,kn2o5l) !cmk rates now idependent from y
- ! XL9 = XL9 + vdv(ivec,in2o5)
- ! C6=1.+XL9*DT
- ! C7=(C5*C6-R89*R98*DT2)
- ! yv(ivec,in2o5)=(C5*y0v(ivec,in2o5)+R98*DT*X4)/C7
- ! yv(ivec,ino3)=(C6*X4+R89*DT*y0v(ivec,in2o5))/C7
- ! ! --- Fourth group: C2O3 PAN
- ! R1920=rrv(ivec,kc48)+rjv(ivec,jpan)
- ! R1919=rrv(ivec,kc49)
- ! P19=rrv(ivec,kc43)*yv(ivec,iald2)*yv(ivec,ioh)+rrv(ivec,kc44)*yv(ivec,iald2)&
- ! *yv(ivec,ino3)+rrv(ivec,kc73)*yv(ivec,imgly)*yv(ivec,ioh)+rjv(ivec,j74)&
- ! *yv(ivec,imgly)+0.15*rrv(ivec,kc77)*yv(ivec,iisop)*yv(ivec,io3)
- ! XL19=rrv(ivec,kc46)*yv(ivec,ino)+rrv(ivec,kc50)*yv(ivec,iho2)+rrv(ivec,kc47)*yv(ivec,ino2)
- ! XL19 = XL19 + vdv(ivec,ic2o3)
- ! R2019=rrv(ivec,kc47)*yv(ivec,ino2)
- ! XL20=rrv(ivec,kc48)+rjv(ivec,jpan)
- ! XL20 = XL20 + vdv(ivec,ipan)
- ! ACUB=2*R1919*DT*(1+XL20*DT)
- ! BCUB=(1+XL20*DT)*(1+XL19*DT)-R1920*DT*R2019*DT
- ! CCUB=(1+XL20*DT)*(y0v(ivec,ic2o3)+P19*DT)+R1920*DT*y0v(ivec,ipan)
- ! CUBDET=BCUB*BCUB+4.*ACUB*CCUB
- ! yv(ivec,ic2o3)=max(1e-8,(-1.*BCUB+SQRT(CUBDET))/(2.*ACUB)) !cmk put max here....
- ! yv(ivec,ipan)=(y0v(ivec,ipan)+R2019*yv(ivec,ic2o3)*DT)/(1.+XL20*DT)
- ! ! --- CH4 chemistry (short living radicals)
- ! PCH3O2=rrv(ivec,kch4oh)*yv(ivec,ich4)*yv(ivec,ioh)+0.7*rrv(ivec,kohmper)*yv(ivec,ioh)*yv(ivec,ich3o2h)
- ! XLCH3O2=rrv(ivec,kmo2no)*yv(ivec,ino)+rrv(ivec,kmo2ho2)*yv(ivec,iho2)&
- ! +2*rrv(ivec,kmo2mo2)*yv(ivec,ich3o2)
- ! yv(ivec,ich3o2)=(y0v(ivec,ich3o2)+PCH3O2*DT)/(1.+XLCH3O2*DT)
- ! ! --- CBM4 chem.(short living compounds & operators)
- ! PRXPAR=0.11*rrv(ivec,kc52)*yv(ivec,ioh)*yv(ivec,ipar)+2.1*rrv(ivec,kc53)&
- ! *yv(ivec,iror)+rrv(ivec,kc57)*yv(ivec,iole)*yv(ivec,ioh)+0.9*rrv(ivec,kc58)&
- ! *yv(ivec,io3)*yv(ivec,iole)+rrv(ivec,kc59)*yv(ivec,iole)*yv(ivec,ino3)
- ! XLRXPAR=rrv(ivec,kc83)*yv(ivec,ipar)
- ! yv(ivec,irxpar)=(y0v(ivec,irxpar)+PRXPAR*DT)/(1.+XLRXPAR*DT)
- ! XLISOP=rrv(ivec,kc76)*yv(ivec,ioh)+rrv(ivec,kc77)*yv(ivec,io3)+rrv(ivec,kc78)*yv(ivec,ino3)
- ! yv(ivec,iisop)=y0v(ivec,iisop)/(1.+XLISOP*DT)
- ! PROR=0.76*rrv(ivec,kc52)*yv(ivec,ipar)*yv(ivec,ioh)+0.02*rrv(ivec,kc53)*yv(ivec,iror)
- ! XLROR=rrv(ivec,kc53)+rrv(ivec,kc54)
- ! yv(ivec,iror)=(y0v(ivec,iror)+PROR*DT)/(1.+XLROR*DT)
- ! PXO2=rrv(ivec,kc46)*yv(ivec,ic2o3)*yv(ivec,ino)+2.*rrv(ivec,kc49)&
- ! *yv(ivec,ic2o3)*yv(ivec,ic2o3)+rrv(ivec,kc50)*yv(ivec,ic2o3)&
- ! *yv(ivec,iho2)+rjv(ivec,j45)*yv(ivec,iald2)+rrv(ivec,kc73)&
- ! *yv(ivec,imgly)*yv(ivec,ioh)+0.87*rrv(ivec,kc52)*yv(ivec,ipar)*yv(ivec,ioh)&
- ! +0.96*rrv(ivec,kc53)*yv(ivec,iror)+rrv(ivec,kc57)*yv(ivec,iole)*yv(ivec,ioh)&
- ! +0.29*rrv(ivec,kc58)*yv(ivec,io3)*yv(ivec,iole)+0.91*rrv(ivec,kc59)&
- ! *yv(ivec,iole)*yv(ivec,ino3)+rrv(ivec,kc61)*yv(ivec,ieth)*yv(ivec,ioh)&
- ! +0.85*rrv(ivec,kc76)*yv(ivec,iisop)*yv(ivec,ioh)+0.7*rrv(ivec,kohrooh)&
- ! *yv(ivec,irooh)*yv(ivec,ioh)+rrv(ivec,kc84)*yv(ivec,ioh)*yv(ivec,iorgntr)&
- ! +0.18*rrv(ivec,kc77)*yv(ivec,iisop)*yv(ivec,io3)
- ! XLXO2=rrv(ivec,kc79)*yv(ivec,ino)+2.*rrv(ivec,kc80)*yv(ivec,ixo2)+rrv(ivec,kc82)*yv(ivec,iho2)
- ! yv(ivec,ixo2)=(y0v(ivec,ixo2)+PXO2*DT)/(1.+XLXO2*DT)
- ! PXO2N=0.13*rrv(ivec,kc52)*yv(ivec,ipar)*yv(ivec,ioh)+0.04*rrv(ivec,kc53)&
- ! *yv(ivec,iror)+0.09*rrv(ivec,kc59)*yv(ivec,iole)*yv(ivec,ino3)+0.15*rrv(ivec,kc76)*yv(ivec,iisop)*yv(ivec,ioh)
- ! XLXO2N=rrv(ivec,kc81)*yv(ivec,ino)+rrv(ivec,kc85)*yv(ivec,iho2)
- ! yv(ivec,ixo2n)=(y0v(ivec,ixo2n)+PXO2N*DT)/(1.+XLXO2N*DT)
- ! end do !ivec
- !
- ! if ( mod(iter,2) == 0 ) then
- !
- ! do ivec=1,lvec
- ! ! --- Species with intermediate lifetimes
- ! ! --- Inorganic compounds (HNO3 H2O2)
- ! !
- ! PHNO3=rrv(ivec,kno2oh)*yv(ivec,ino2)*yv(ivec,ioh)+2.*(rrv(ivec,kn2o5aq)+rrv(ivec,kn2o5l))&
- ! *yv(ivec,in2o5)+rrv(ivec,kc44)*yv(ivec,iald2)*yv(ivec,ino3)+rrv(ivec,kc41)*yv(ivec,ich2o)*yv(ivec,ino3)
- ! XLHNO3=rjv(ivec,jhno3)+rrv(ivec,kohhno3)*yv(ivec,ioh)
- ! XLHNO3=XLHNO3 + vdv(ivec,ihno3)
- ! yv(ivec,ihno3)=(y0v(ivec,ihno3)+PHNO3*DT)/(1.+XLHNO3*DT)
- ! PH2O2=rrv(ivec,kho2ho2)*yv(ivec,iho2)*yv(ivec,iho2)
- ! XLH2O2=rjv(ivec,jh2o2)+rrv(ivec,khpoh)*yv(ivec,ioh)
- ! XLH2O2=XLH2O2 + vdv(ivec,ih2o2)
- ! yv(ivec,ih2o2)=(y0v(ivec,ih2o2)+PH2O2*DT)/(1.+XLH2O2*DT)
- ! ! --- CH4-chemistry (methyl peroxide formaldehyde)
- ! PCH3O2H=rrv(ivec,kmo2ho2)*yv(ivec,ich3o2)*yv(ivec,iho2)
- ! XLCH3O2H=rrv(ivec,kohmper)*yv(ivec,ioh)+rjv(ivec,jmepe)
- ! XLCH3O2H=XLCH3O2H + vdv(ivec,ich3o2h)
- ! yv(ivec,ich3o2h)=(y0v(ivec,ich3o2h)+PCH3O2H*DT)/(1.+XLCH3O2H*DT)
- ! PCH2O=rrv(ivec,kc46)*yv(ivec,ic2o3)*yv(ivec,ino)+0.3*rrv(ivec,kohmper)&
- ! *yv(ivec,ich3o2h)*yv(ivec,ioh)+rrv(ivec,kmo2no)*yv(ivec,ich3o2)*yv(ivec,ino)&
- ! +1.33*rrv(ivec,kmo2mo2)*yv(ivec,ich3o2)*yv(ivec,ich3o2)+rjv(ivec,jmepe)&
- ! *yv(ivec,ich3o2h)+2.*rrv(ivec,kc49)*yv(ivec,ic2o3)*yv(ivec,ic2o3)&
- ! +rrv(ivec,kc50)*yv(ivec,ic2o3)*yv(ivec,iho2)+rjv(ivec,j45)*yv(ivec,iald2)&
- ! +rrv(ivec,kc57)*yv(ivec,iole)*yv(ivec,ioh)+0.64*rrv(ivec,kc58)*yv(ivec,iole)&
- ! *yv(ivec,io3)+rrv(ivec,kc59)*yv(ivec,iole)*yv(ivec,ino3)+1.56*rrv(ivec,kc61)&
- ! *yv(ivec,ieth)*yv(ivec,ioh)+rrv(ivec,kc62)*yv(ivec,ieth)*yv(ivec,io3)&
- ! +0.61*rrv(ivec,kc76)*yv(ivec,iisop)*yv(ivec,ioh)+0.9*rrv(ivec,kc77)&
- ! *yv(ivec,iisop)*yv(ivec,io3)+0.03*rrv(ivec,kc78)*yv(ivec,iisop)*yv(ivec,ino3)
- ! XLCH2O=rjv(ivec,jach2o)+rjv(ivec,jbch2o)+yv(ivec,ioh)*rrv(ivec,kfrmoh)+rrv(ivec,kc41)*yv(ivec,ino3)
- ! XLCH2O=XLCH2O + vdv(ivec,ich2o)
- ! yv(ivec,ich2o)=(y0v(ivec,ich2o)+PCH2O*DT)/(1.+XLCH2O*DT)
- ! ! --- CBIV-elements for higher HC-chemistry: ALD2 MGLY
- ! ! --- ETH OLE ISOP ROOH ORGNTR
- ! PALD2=0.11*rrv(ivec,kc52)*yv(ivec,ipar)*yv(ivec,ioh)+1.1*rrv(ivec,kc53)&
- ! *yv(ivec,iror)+rrv(ivec,kc57)*yv(ivec,iole)*yv(ivec,ioh)+0.44*rrv(ivec,kc58)&
- ! *yv(ivec,iole)*yv(ivec,io3)+rrv(ivec,kc59)*yv(ivec,iole)*yv(ivec,ino3)&
- ! +0.22*rrv(ivec,kc61)*yv(ivec,ieth)*yv(ivec,ioh)+0.12*rrv(ivec,kc78)*yv(ivec,iisop)*yv(ivec,ino3)
- ! XLALD2=rrv(ivec,kc43)*yv(ivec,ioh)+rrv(ivec,kc44)*yv(ivec,ino3)+rjv(ivec,j45)
- ! XLALD2=XLALD2 + vdv(ivec,iald2)
- ! yv(ivec,iald2)=(y0v(ivec,iald2)+PALD2*DT)/(1.+XLALD2*DT)
- ! PMGLY=0.03*rrv(ivec,kc76)*yv(ivec,iisop)*yv(ivec,ioh)+0.03*rrv(ivec,kc77)&
- ! *yv(ivec,iisop)*yv(ivec,io3)+0.08*rrv(ivec,kc78)*yv(ivec,iisop)*yv(ivec,ino3)
- ! XLMGLY=rrv(ivec,kc73)*yv(ivec,ioh)+rjv(ivec,j74)
- ! yv(ivec,imgly)=(y0v(ivec,imgly)+PMGLY*DT)/(1.+XLMGLY*DT)
- ! XLETH=rrv(ivec,kc61)*yv(ivec,ioh)+rrv(ivec,kc62)*yv(ivec,io3)
- ! yv(ivec,ieth)=y0v(ivec,ieth)/(1.+XLETH*DT)
- ! POLE=0.58*rrv(ivec,kc76)*yv(ivec,iisop)*yv(ivec,ioh)+0.55*rrv(ivec,kc77)&
- ! *yv(ivec,iisop)*yv(ivec,io3)+0.45*rrv(ivec,kc78)*yv(ivec,iisop) *yv(ivec,ino3)
- ! XLOLE=rrv(ivec,kc57)*yv(ivec,ioh)+rrv(ivec,kc58)*yv(ivec,io3)+rrv(ivec,kc59)*yv(ivec,ino3)
- ! yv(ivec,iole)=(y0v(ivec,iole)+POLE*DT)/(1.+XLOLE*DT)
- ! PROOH=rrv(ivec,kc82)*yv(ivec,ixo2)*yv(ivec,iho2)+0.21*rrv(ivec,kc50)&
- ! *yv(ivec,ic2o3)*yv(ivec,iho2)+rrv(ivec,kc85)*yv(ivec,iho2)*yv(ivec,ixo2n)
- ! XLROOH=rjv(ivec,jrooh)+rrv(ivec,kohrooh)*yv(ivec,ioh)
- ! XLROOH = XLROOH + vdv(ivec,irooh)
- ! yv(ivec,irooh)=(y0v(ivec,irooh)+PROOH*DT)/(1.+XLROOH*DT)
- !
- ! PORGNTR=rrv(ivec,kc81)*yv(ivec,ino)*yv(ivec,ixo2n)+0.9*rrv(ivec,kc78)*yv(ivec,iisop)*yv(ivec,ino3)
- ! XLORGNTR=rrv(ivec,kc84)*yv(ivec,ioh)+rjv(ivec,jorgn)
- ! XLORGNTR=XLORGNTR+vdv(ivec,iorgntr)
- !
- ! yv(ivec,iorgntr)=(y0v(ivec,iorgntr)+PORGNTR*DT)/(1.+XLORGNTR*DT)
- !
- ! ! gas phase sulfur & ammonia
- !
- ! qdms1=rrv(ivec,kdmsoha)*yv(ivec,ioh)+rrv(ivec,kdmsno3)*yv(ivec,ino3)
- ! qdms2=rrv(ivec,kdmsohb)*yv(ivec,ioh)
- ! qdms=qdms1+qdms2
- ! yv(ivec,idms)=y0v(ivec,idms)/(1.+qdms*DT)
- ! pso2=yv(ivec,idms)*(qdms1+0.75*qdms2)
- ! pmsa=yv(ivec,idms)*0.25*qdms2
- ! qso2=rrv(ivec,kso2oh)*yv(ivec,ioh)
- ! qso2d=qso2 + vdv(ivec,iso2)
- ! yv(ivec,iso2)=(y0v(ivec,iso2)+pso2*DT) /(1.+qso2d*DT) !qso2d includes deposition
- ! yv(ivec,imsa)=(y0v(ivec,imsa)+pmsa*DT) /(1.+vdv(ivec,imsa)*DT)
- ! yv(ivec,iso4)=(y0v(ivec,iso4)+qso2*yv(ivec,iso2)*DT) /(1. + vdv(ivec,iso4)*DT) !corredted CMK qso2/qso2d
- ! yv(ivec,iacid)=(y0v(ivec,iacid)+(pmsa+2.*qso2*yv(ivec,iso2))*DT)/&
- ! (1.+rrv(ivec,knh3SO4)*yv(ivec,inh3)*DT)
- ! yv(ivec,inh4)=(y0v(ivec,inh4)+yv(ivec,iacid)*rrv(ivec,knh3SO4)*yv(ivec,inh3)*DT)/(1.+vdv(ivec,inh4)*DT)
- ! pnh2=yv(ivec,ioh)*rrv(ivec,knh3oh)
- ! qnh3=yv(ivec,iacid)*rrv(ivec,knh3SO4)+pnh2
- ! qnh3 = qnh3 + vdv(ivec,inh3)
- ! yv(ivec,inh3)=y0v(ivec,inh3)/(1.+qnh3*DT)
- ! qnh2= rrv(ivec,knh2no)*yv(ivec,ino)+rrv(ivec,knh2no2)*yv(ivec,ino2)&
- ! +rrv(ivec,knh2ho2)*yv(ivec,iho2) +rrv(ivec,knh2o2)+rrv(ivec,knh2o3)*yv(ivec,io3)
- ! yv(ivec,inh2)=(y0v(ivec,inh2)+yv(ivec,inh3)*pnh2*dt)/(1.+qnh2*dt)
- ! end do !ivec
- !
- ! end if
- !
- ! if ( mod(iter,maxit) == 0 ) then
- !
- ! ! --- Long living compounds
- ! do ivec=1,lvec
- ! yv(ivec,ich4)=y0v(ivec,ich4)/(1.+rrv(ivec,kch4oh)*yv(ivec,ioh)*DT)
- ! PCO=yv(ivec,ich2o)*(rjv(ivec,jach2o)+rjv(ivec,jbch2o)+yv(ivec,ioh)&
- ! *rrv(ivec,kfrmoh))+rjv(ivec,j45)*yv(ivec,iald2)+rjv(ivec,j74)*yv(ivec,imgly)&
- ! +0.37*rrv(ivec,kc58)*yv(ivec,iole)*yv(ivec,io3)+0.43*rrv(ivec,kc62)&
- ! *yv(ivec,ieth)*yv(ivec,io3)+0.36*rrv(ivec,kc77)*yv(ivec,iisop)*yv(ivec,io3)&
- ! +rrv(ivec,kc41)*yv(ivec,ich2o)*yv(ivec,ino3)
- ! XLCO = rrv(ivec,kcooh)*yv(ivec,ioh)
- ! XLCO = XLCO + vdv(ivec,ico)
- ! yv(ivec,ico)=(y0v(ivec,ico)+PCO*DT)/(1.+XLCO*DT)
- ! PPAR=0.63*rrv(ivec,kc77)*yv(ivec,iisop)*yv(ivec,io3)+0.63*rrv(ivec,kc76)*yv(ivec,iisop)*yv(ivec,ioh)
- ! XLPAR=rrv(ivec,kc52)*yv(ivec,ioh)+rrv(ivec,kc83)*yv(ivec,irxpar)
- ! yv(ivec,ipar)=(y0v(ivec,ipar)+PPAR*DT)/(1.+XLPAR*DT)
- ! !cmk ____added rn222 chemistry in EBI language
- ! yv(ivec,irn222) = y0v(ivec,irn222)/(1.+rrv(ivec,krn222)*dt)
- ! yv(ivec,ipb210) = y0v(ivec,ipb210)+y0v(ivec,irn222)-yv(ivec,irn222)
- ! !if(yv(ivec,ipb210) < 0.0 .or. yv(ivec,irn222) < 0.0) then
- ! ! print *, 'Negatives .....rn222, pb210', y0v(ivec,irn222), yv(ivec,irn222) , y0v(ivec,ipb210), yv(ivec,ipb210)
- ! !end if
- ! end do !ivec
- !
- ! end if
- !
- ! end do !ITER
- !
- ! end subroutine do_ebi
- !
- !
- ! subroutine NOYmass
- !#ifdef MPI
- ! use mpi_comm,only: stopmpi
- !#endif
- ! implicit none
- ! integer i,j,imax, offsetl
- ! real :: ncormax,ncorav,totn,totn0,fnoy,fnoy1
- ! real :: ncorr,ncorr1,ncorr2,ncorr3, totdep
- ! logical :: nerr
- !
- ! offsetl=0
- !#ifdef MPI
- ! if(myid>0) offsetl=sum(lmar(0:myid-1))
- !#endif
- !
- ! ncormax=0.
- ! ncorav=0.
- ! nerr=.false.
- ! imax = 0
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! imax = imax + 1
- ! !
- ! !** Guarantee exact mass conservation of NOY
- ! ! (this may matter a few percent)
- ! !
- ! fnoy=y(i,j,ino)+y(i,j,ino2)+y(i,j,ino3)+2.*y(i,j,in2o5)+y(i,j,ihno4)
- ! if (level+offsetl == 1) then
- ! totdep = (y(i,j,ino) *vd(region,ino )%surf(i,j) + &
- ! y(i,j,ino2)*vd(region,ino2)%surf(i,j) + &
- ! y(i,j,ino3)*vd(region,ino3)%surf(i,j) + &
- ! y(i,j,ihno3)*vd(region,ihno3)%surf(i,j) + &
- ! y(i,j,ipan)*vd(region,ipan)%surf(i,j) + &
- ! y(i,j,iorgntr)*vd(region,iorgntr)%surf(i,j) + &
- ! 2*y(i,j,in2o5)*vd(region,in2o5)%surf(i,j) + &
- ! y(i,j,ihno4)*vd(region,ihno4)%surf(i,j) )*dt/ye(i,j,idz)
- ! else
- ! totdep = 0.0
- ! end if
- ! totn0=y0(i,j,inox)+y0(i,j,ihno3)+y0(i,j,ipan)+ &
- ! y0(i,j,iorgntr) + ye(i,j,ieno)*dt - totdep
- ! ! note that emino is added here and the total deposition is subtracted
- ! !
- ! ! totn0 contains all nitrogen at beginning of timestep + nox emissions
- ! !
- ! !
- ! ! totn contains all nitrogen at end of timestep
- ! !
- ! totn=fnoy+y(i,j,ihno3)+y(i,j,ipan)+y(i,j,iorgntr)
- ! ! correction factor for all nitrogen compounds
- ! ncorr=totn-totn0
- !
- ! if ( totn < tiny(totn) ) cycle
- !
- ! if ( (abs(ncorr)/totn) > 0.05 ) then !CMK changed from 0.1 to 0.05
- !
- ! nerr=.true.
- ! print *,'NOYmass: N-error....',region,offsetl+level,i,j,totn0,totn
- ! print *,'NOYmass: emino ',ye(i,j,ieno)*dt/y0(i,j,iair)*1e9
- ! print *,'NOYmass: NO(0) ', &
- ! y0(i,j,ino)/y0(i,j,iair)*1e9,y(i,j,ino)/y(i,j,iair)*1e9
- ! print *,'NOYmass: NO2(0) ', &
- ! y0(i,j,ino2)/y0(i,j,iair)*1e9,y(i,j,ino2)/y(i,j,iair)*1e9
- ! print *,'NOYmass: O3(0) ', &
- ! y0(i,j,io3)/y0(i,j,iair)*1e9,y(i,j,io3)/y(i,j,iair)*1e9
- ! print *,'NOYmass: NO3(0) ', &
- ! y0(i,j,ino3)/y0(i,j,iair)*1e9,y(i,j,ino3)/y(i,j,iair)*1e9
- ! print *,'NOYmass: N2O5(0) ', &
- ! y0(i,j,in2o5)/y0(i,j,iair)*1e9,y(i,j,in2o5)/y(i,j,iair)*1e9
- ! print *,'NOYmass: HNO4(0) ', &
- ! y0(i,j,ihno4)/y0(i,j,iair)*1e9,y(i,j,ihno4)/y(i,j,iair)*1e9
- ! print *,'NOYmass: HNO3(0) ', &
- ! y0(i,j,ihno3)/y0(i,j,iair)*1e9,y(i,j,ihno3)/y(i,j,iair)*1e9
- ! print *,'NOYmass: PAN(0) ', &
- ! y0(i,j,ipan)/y0(i,j,iair)*1e9,y(i,j,ipan)/y(i,j,iair)*1e9
- ! print *,'NOYmass: ORGNT(0) ', &
- ! y0(i,j,iorgntr)/y0(i,j,iair)*1e9,y(i,j,iorgntr)/y(i,j,iair)*1e9
- ! print *,'NOYmass: NOx(0) ', &
- ! y0(i,j,inox)/y0(i,j,iair)*1e9,y(i,j,inox)/y(i,j,iair)*1e9
- ! print *,'NOYmass: ',rj(i,j,jhno3),rr(i,j,kohhno3)*y(i,j,ioh), &
- ! y(i,j,ioh)/y(i,j,iair)*1e9
- !
- ! end if
- ! ! maximum and average correction factor in this loop
- ! ncormax=max(abs(ncormax),abs(ncorr/totn))
- ! ncorav=ncorav+abs(ncorr/totn)
- ! !
- ! ! first correct hno3, pan and organic nitrates
- ! ! (as a group of reservoir tracers)
- ! !
- ! totn=y(i,j,ihno3)+y(i,j,ipan)+y(i,j,iorgntr)
- ! if ( totn < tiny(totn) ) cycle
- ! ncorr1=y(i,j,ihno3) *(1.-ncorr/totn)
- ! ncorr2=y(i,j,ipan) *(1.-ncorr/totn)
- ! ncorr3=y(i,j,iorgntr)*(1.-ncorr/totn)
- ! y(i,j,ihno3) =max(0.,ncorr1)
- ! y(i,j,ipan) =max(0.,ncorr2)
- ! y(i,j,iorgntr)=max(0.,ncorr3)
- ! ncorr=ncorr1+ncorr2+ncorr3-y(i,j,ihno3)-y(i,j,ipan)- y(i,j,iorgntr)
- ! !
- ! ! the remainder is used to scale the noy components
- ! !
- ! fnoy1=(fnoy+ncorr)/fnoy
- ! y(i,j,ino) =fnoy1*y(i,j,ino)
- ! y(i,j,ino2) =fnoy1*y(i,j,ino2)
- ! y(i,j,ino3) =fnoy1*y(i,j,ino3)
- ! y(i,j,in2o5)=fnoy1*y(i,j,in2o5)
- ! y(i,j,ihno4)=fnoy1*y(i,j,ihno4)
- ! y(i,j,inox)=y(i,j,ino)+y(i,j,ino2)+y(i,j,ino3)+ &
- ! 2.*y(i,j,in2o5)+y(i,j,ihno4)
- !
- ! end do
- !
- ! end do
- !
- ! if ( nerr ) print*,'NOYmass: N-mass balance error, ncorr>5% ',&
- ! 'Maximum correction:', ncormax,&
- ! 'Average correction in this loop:', ncorav/imax, imax, '(imax)'
- !
- ! end subroutine NOYmass
- !
- !
- !
- ! subroutine incc2c3
- ! !
- ! use budget_global,only : buddep_dat, sum_deposition, sum_chemistry
- ! use budget_fine,only: depdry
- ! implicit none
- ! integer :: i1,n1,n2,jl,i,j,offsetl
- ! ! nrj and nrr used for reaction budget calculations
- ! integer,dimension(nj ),parameter :: nrj=(/io3,ino2,ih2o2,ihno3,ihno4,in2o5,ich2o,ich2o, &
- ! ich3o2h,ino3,ino3,ipan,iorgntr,iald2,imgly,irooh/)
- ! integer,dimension(nreac,2),parameter :: nrr = reshape((/ &
- ! ino,iho2,ich3o2,ino2,ioh,ino2,ino,ino2,in2o5,ihno4,&
- ! ino2,ihno4,iair,ih2o,io3,ico,io3,ih2o2,ich2o,ich4, &
- ! ioh,ioh,ich3o2, ich3o2, iho2,iho2,in2o5,in2o5,ioh,ich2o,&
- ! iald2,iald2,ic2o3,ic2o3,ipan,ic2o3,ic2o3,ipar,iror,iror,&
- ! ioh,io3,ino3,ioh,io3,ioh,ioh,io3,ino3,ixo2,&
- ! ixo2,ixo2n,ixo2,irxpar,iorgntr,ixo2n,idms,idms,idms,iso2,&
- ! inh3,inh3,inh2,inh2,inh2,inh2,inh2,irn222, &
- ! !second reaction partner (if monmolecular = 0)
- ! io3,ino,ino,ioh,ihno3,io3,ino3,ino3, 0, ioh, &
- ! iho2,0,0,0,iho2,ioh,ioh,ioh,ioh,ioh, &
- ! ich3o2h,irooh,iho2, ich3o2, ioh,iho2,0,0,0,ino3,&
- ! ioh,ino3,ino,ino2,0,ic2o3,iho2,ioh, 0, 0,&
- ! iole,iole,iole,ieth,ieth,imgly,iisop,iisop,iisop,ino,&
- ! ixo2,ino,iho2,ipar,ioh,iho2,ioh,ioh,ino3,ioh,&
- ! iacid,ioh,ino,ino2,iho2,0,io3,0/),(/nreac,2/))
- !
- ! real :: c1,xdep
- !
- ! c1=dt*1000./xmair !conversion to moles...
- !
- ! offsetl=0
- !#ifdef MPI
- ! if(myid>0) offsetl=sum(lmar(0:myid-1))
- !#endif
- !
- ! ! reaction budgets
- !
- ! do i1=1,nj !photolysis rates
- ! n1=nrj(i1)
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! if(n1 > 0) cr2(i,j,i1)=cr2(i,j,i1)+rj(i,j,i1)*y(i,j,n1)
- ! end do
- ! end do
- ! end do!i1=1,nj
- ! !
- ! do i1=1,nreac !reactions
- ! n1=nrr(i1,1) !make sure n1 > 0
- ! n2=nrr(i1,2)
- ! if (n2 > 0.) then
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! cr3(i,j,i1)= cr3(i,j,i1)+y(i,j,n1)*y(i,j,n2)*rr(i,j,i1)
- ! end do
- ! end do
- ! else
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! cr3(i,j,i1)= cr3(i,j,i1)+y(i,j,n1)*rr(i,j,i1)
- ! end do
- ! end do
- ! end if
- ! end do !i1=1,nreac
- !
- ! if ( offsetl + level == 1 ) then ! deposition budget
- !
- ! do i1=1,ntrace
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! xdep = y(i,j,i1)*vd(region,i1)%surf(i,j)/ye(i,j,idz)* &
- ! c1*ye(i,j,iairm)/y(i,j,iair) !from updated concentrations
- ! buddep_dat(region)%dry(i,j,i1) = &
- ! buddep_dat(region)%dry(i,j,i1) + xdep
- ! if ( region == nregions ) then
- ! depdry(i,j,i1) = depdry(i,j,i1) + xdep !in mole
- ! end if
- ! if ( i1 == 1 ) then !seperate deposition from 'other' chemistry
- ! sum_deposition(region) = sum_deposition(region) - &
- ! xdep*ra(1)*1e-3 ! in kg
- ! sum_chemistry(region) = sum_chemistry(region) + &
- ! (y(i,j,1)-y0(i,j,1))/y(i,j,iair)* &
- ! ye(i,j,iairm)/xmair*ra(1) + xdep*ra(1)*1e-3
- ! end if
- ! end do
- ! end do
- ! end do !i1
- ! else ! other layers
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! sum_chemistry(region) = sum_chemistry(region) + &
- ! (y(i,j,1)-y0(i,j,1))/y(i,j,iair)*ye(i,j,iairm)/xmair*ra(1)
- ! end do
- ! end do
- ! end if !level ==1
- ! end subroutine incc2c3
- !
- !
- !
- ! subroutine reacbud
- ! !------------------------------------------------------------------------
- ! !
- ! ! REACBUD increase reaction budgets for each reaction
- ! ! arrays nrr and nrj determine which species are
- ! ! involved in a reaction
- ! !
- ! !
- ! !------------------------------------------------------------------------
- ! use budget_global,only : budrjg,budrrg,budrwg,budg_dat,nzon_vg
- ! use budget_fine,only: budrj,budrr,budrw,nzon,nzon_v
- ! implicit none
- ! integer :: i1,i,j,nzone,nzone_v
- ! real :: c1
- ! !
- ! ! attribute to regions
- ! !
- ! c1=dt*1000./xmair !conversion to moles...
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! if(region==nregions) then !finest region budget....
- ! nzone=nzon(i,j)
- ! nzone_v=nzon_v(offsetl+level) !level is passed to ebi...
- ! do i1=1,nj
- ! budrj(nzone,nzone_v,i1)=budrj(nzone,nzone_v,i1)+ &
- ! cr2(i,j,i1)*c1*ye(i,j,iairm)/y(i,j,iair) !units mole
- ! end do !nj
- ! do i1=1,nreac
- ! budrr(nzone,nzone_v,i1)=budrr(nzone,nzone_v,i1)+ &
- ! cr3(i,j,i1)*c1*ye(i,j,iairm)/y(i,j,iair) !units mole
- ! end do
- ! do i1=1,nreacw
- ! budrw(nzone,nzone_v,i1)=budrw(nzone,nzone_v,i1)- &
- ! cr4(i,j,i1)*(1000./xmair)*ye(i,j,iairm)/y(i,j,iair)
- ! !note: changed sign to get 'positive' budget, just a
- ! ! matter of definition, !CMK
- ! end do
- ! end if
- ! nzone=budg_dat(region)%nzong(i,j) !global budget
- ! nzone_v=nzon_vg(offsetl+level) !level is passed to ebi...
- ! do i1=1,nj
- ! budrjg(nzone,nzone_v,i1)=budrjg(nzone,nzone_v,i1)+ &
- ! cr2(i,j,i1)*c1*ye(i,j,iairm)/y(i,j,iair) !units mole
- ! end do !nj
- ! do i1=1,nreac
- ! budrrg(nzone,nzone_v,i1)=budrrg(nzone,nzone_v,i1)+ &
- ! cr3(i,j,i1)*c1*ye(i,j,iairm)/y(i,j,iair) !units mole
- ! end do
- ! do i1=1,nreacw
- ! budrwg(nzone,nzone_v,i1)=budrwg(nzone,nzone_v,i1)- &
- ! cr4(i,j,i1)*(1000./xmair)*ye(i,j,iairm)/y(i,j,iair) ! mole
- ! !note: changed sign to get 'positive' budget, just a
- ! ! matter of definition, !CMK
- ! end do
- ! end do
- ! end do
- !
- ! end subroutine REACBUD
- !
- !
- ! end subroutine ebi
- !
- !
- !
- ! subroutine wetS(region,level,y0,dt,y,ye,c4)
- ! !**********************************************************************
- ! !
- ! !wetS - aqueous phase chemistry of sulfur (and other)
- ! !programmed by Ad Jeuken (KNMI) and Frank Dentener (IMAU)
- ! !adapted for TM5 by Maarten Krol (IMAU) 1-2002
- ! !
- ! !purpose
- ! !-------
- ! !oxidation of SO2 and uptake of other gases in the aqueous phase
- ! !
- ! !interface
- ! !---------
- ! !call wetS(region,level,zoomed,y0,dt,y,ye,c4)
- ! !region region under operation (provides im,jm,lm via chemistry.mod)
- ! !level vertical level
- ! !zoomed which cells to skip (chemistrty is done by child)
- ! !y0 initial concentration
- ! !dt chemistry timestep
- ! !yt concentrations at time is t
- ! !ye extra fields (temperature, clouds, ....)
- ! !c4 budget accumulatior
- ! !
- ! !method
- ! !------
- ! !implicit solution of oxidation of SO2
- ! !
- ! !external
- ! !--------
- ! !none
- ! !
- ! !reference
- ! !---------
- ! !-
- ! !**********************************************************************
- !
- ! use global_data, only: region_dat
- ! use reaction_data,only: nreacw,ntlow,kso2hp,kso2o3
- ! use chem_param
- ! use budget_global, only: sum_wetchem
- ! use dims, only: isr, jsr, ier,jer, im, jm
- ! use Binas, only: Avog
- !
- ! ! use toolbox, only: dumpfield, escape_tm
- ! ! use dims, only: lm
- ! implicit none
- !
- ! ! input/output
- !
- ! integer,intent(in) :: region
- ! integer,intent(in) :: level
- ! real,intent(in),dimension(im(region),jm(region),maxtrace) :: y0
- ! real,intent(in) :: dt
- ! real,intent(out),dimension(im(region),jm(region),maxtrace):: y
- ! real,dimension(im(region),jm(region),n_extra) :: ye !extra fields (temp, cc, pH)
- ! real,dimension(im(region),jm(region),nreacw),intent(inout):: c4
- !
- ! ! local
- !
- ! integer,dimension(:,:),pointer :: zoomed
- ! integer n,i,j,l,itemp,iter
- ! real x1,x2,x3,b1,b2,so2x,dh2o2,dso2,disc,dnh3,dn2o5,xso2o3a,xso2o3b
- ! real,parameter :: co2=3.20e-4,rg=0.08314
- ! real,dimension(:,:),allocatable :: hkso2 ! Henry's constant for sulfur dioxide
- ! real,dimension(:,:),allocatable :: hkh2o2 ! Henry's constant for hydroperoxide
- ! real,dimension(:,:),allocatable :: hko3 ! Henry's constant for ozone
- ! real,dimension(:,:),allocatable :: dkso2 ! Dissociation constant for SO2
- ! real,dimension(:,:),allocatable :: dkhso3 ! Dissociation constant for HSO3-
- ! real,dimension(:,:),allocatable :: dkh2o ! dissociation constant water
- ! real,dimension(:,:),allocatable :: dknh3 ! dissociation constant ammonia
- ! real,dimension(:,:),allocatable :: hknh3 ! Henry's constant ammonia
- ! real,dimension(:,:),allocatable :: hkco2 ! Henry's constant CO2
- ! real,dimension(:,:),allocatable :: dkco2 ! Dissociation constant CO2
- ! real phs4 ! effective dissolvation of S(IV)
- ! real phso2 ! effective dissolvation of SO2
- ! real phh2o2 ! effective dissolvation of H2O2
- ! real phozone ! effective dissolvation of O3
- ! real,dimension(:,:),allocatable :: hplus !concentration h+
- ! real a1,a2,a,b,c,z ! help variables
- ! real xcov,xliq,xl,temp,rt,ztr,h2o,air,press ! meteo
- ! real,dimension(:,:,:),allocatable :: rw ! reaction rates
- ! logical,dimension(:,:),allocatable :: cloudy
- ! ! character(len=2) :: levelc
- !
- ! ! start
- !
- ! zoomed => region_dat(region)%zoomed
- !
- ! allocate(hkso2 (im(region),jm(region)))
- ! allocate(hkh2o2 (im(region),jm(region)))
- ! allocate(hko3 (im(region),jm(region)))
- ! allocate(dkso2 (im(region),jm(region)))
- ! allocate(dkhso3 (im(region),jm(region)))
- ! allocate(dkh2o (im(region),jm(region)))
- ! allocate(dknh3 (im(region),jm(region)))
- ! allocate(hknh3 (im(region),jm(region)))
- ! allocate(hkco2 (im(region),jm(region)))
- ! allocate(dkco2 (im(region),jm(region)))
- ! allocate(hplus (im(region),jm(region)))
- ! allocate(rw (im(region),jm(region),nreacw))
- ! allocate(cloudy (im(region),jm(region)))
- !
- ! !-----------------------------
- ! ! wet phase reactions
- ! !-----------------------------
- ! rw =0.0
- ! hplus=0.0
- !
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! cloudy(i,j)=.false.
- !
- ! ! lwc is dimensionless
- ! if ((ye(i,j,ilwc) > 1e-10).and.(ye(i,j,icc) > 0.01)) then
- ! cloudy(i,j)=.true.
- ! TEMP=ye(i,j,i_temp)
- ! ZTR=(1./TEMP-1./298)
- ! RT=TEMP*rg
- ! ITEMP=nint(TEMP-float(ntlow))
- ! !
- ! ! Henry and dissociation equilibria
- ! !
- ! dkh2o(i,j) =1.01e-14*exp(-6706.0 *ztr) !h2o<=>hplus+so3--
- ! hkco2(i,j) =3.4e-2*(2420.*ztr) ! is already dimensionless
- ! dkco2(i,j) =4.5E-7*exp(-1000.*ztr) !co2aq<=>hco3- + hplus
- ! hkso2(i,j) =henry(iso2,itemp)*rt !dimensionless
- ! dknh3(i,j) =1.8e-5*exp(-450.*ztr) !nh3<=>nh4+ + OH-
- ! hknh3(i,j) =henry(inh3,itemp)*rt !dimensionless
- ! hkh2o2(i,j)=henry(ih2o2,itemp)*rt !dimensionless
- ! hko3(i,j) =henry(io3,itemp)*rt !dimensionless
- ! dkso2(i,j) =1.7e-2*exp(2090.*ztr) !so2<=>hso3m+hplus
- ! dkhso3(i,j)=6.6e-8*exp(1510.*ztr) !hso3m<=>so3-- + hplus
- ! !
- ! ! calculate H+ from initial sulfate, ammonium, hno3, and nh3
- ! ! if solution is strongly acidic no further calculations are performed
- ! !
- !
- ! xl=ye(i,j,ilwc)*Avog*1e-3/ye(i,j,icc)
- ! !x1 is initial strong acidity from SO4 and NO3
- ! !
- ! !acidity from strong acids alone
- ! !
- ! hplus(i,j)=(2.*y0(i,j,iso4)+y0(i,j,imsa)-y0(i,j,inh4)+ &
- ! y0(i,j,ihno3)+y0(i,j,ino3_a))/xl
- ! end if
- ! end do
- ! end do
- ! do iter=1,10
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if ( zoomed(i,j) /= region ) cycle
- ! ! only if solution pH>4.5
- ! if ( cloudy(i,j) .and. hplus(i,j) < 3e-5 ) then
- ! xl=ye(i,j,ilwc)*Avog*1e-3/ye(i,j,icc)
- ! x1=(2.*y0(i,j,iso4)+y0(i,j,imsa)+y0(i,j,ihno3)+ &
- ! y0(i,j,ino3_a))/xl
- ! !x2 is initial total NHx
- ! x2=(y0(i,j,inh3)+y0(i,j,inh4))/xl
- ! !x3 is combined dissolution and solubility const for CO2
- ! x3=dkco2(i,j)*hkco2(i,j)*co2
- ! a1=dkh2o(i,j)/dknh3(i,j)*(1.+1./hknh3(i,j)) ! integration constant
- ! a2=y0(i,j,iso2)/xl !initial SO2
- ! z=a2/(hplus(i,j)/dkso2(i,j)*(1.+1./hkso2(i,j))+ &
- ! dkhso3(i,j)/hplus(i,j)+1.)
- ! a=1.+x2/(a1+hplus(i,j))
- ! b=-x1-z
- ! c=-x3-2.*dkhso3(i,j)*z
- ! z=max(0.,(b*b-4.*a*c))
- ! hplus(i,j)=max(1.e-10,(-b+sqrt(z))/(2.*a))
- ! end if
- ! end do !
- ! end do ! i,j loop
- ! end do !iter
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! if (cloudy(i,j)) then
- ! temp=ye(i,j,i_temp)
- ! ZTR=(1./TEMP-1./298)
- ! xliq=ye(i,j,ilwc)/ye(i,j,icc)
- ! xl=ye(i,j,ilwc)*Avog*1e-3/ye(i,j,icc)
- ! ye(i,j,iph)=-log10(hplus(i,j)) ! pH for diagnostics
- !
- ! ! phase factor ratio of aqueous phase to gas phase concentration
- !
- ! phs4 =hkso2(i,j) *(1.+dkso2(i,j)/hplus(i,j)+ &
- ! dkhso3(i,j)/hplus(i,j)/hplus(i,j))*xliq
- ! phso2 =hkso2(i,j) *xliq
- ! phh2o2 =hkh2o2(i,j)*xliq
- ! phozone=hko3(i,j) *xliq
- !
- ! ! the original rate equations could be partly in look-up table
- !
- ! rw(i,j,KSO2HP) =8e4*exp(-3560.*ztr)/(0.1+hplus(i,j))
- ! XSO2O3A=4.39e11*exp(-4131./temp)+2.56e3*exp(-966./temp) !S(IV)
- ! XSO2O3B=2.56e3*exp(-966./temp)/hplus(i,j)
- ! !divide by [H+]!S(IV)
- !
- ! ! make rate constants dimensionless by multiplying
- ! ! by (1./xliq/avo=6e20)
- ! ! multiply with the fractions of concentrations residing
- ! ! in the aqueous phase
- !
- ! rw(i,j,KSO2HP)=rw(i,j,KSO2HP)/xl*phso2/(1.+phs4)*phh2o2/(1.+phh2o2)
- ! rw(i,j,KSO2O3)=(XSO2O3A+XSO2O3B)/xl*phs4/(1.+phs4)*phozone/ &
- ! (1.+phozone)
- ! end if !cloudy
- ! end do !
- ! end do ! I,J, LOOP
- !! write(levelc,'(i2.2)') level
- !! if(level == 1) then
- !! call dumpfield(0,'rw.hdf',im(region),jm(region),nreacw,1,rw,'rw'//levelc)
- !! call dumpfield(1,'rw.hdf',im(region),jm(region),n_extra,1,ye,'ye'//levelc)
- !! else
- !! call dumpfield(1,'rw.hdf',im(region),jm(region),nreacw,1,rw,'rw'//levelc)
- !! call dumpfield(1,'rw.hdf',im(region),jm(region),n_extra,1,ye,'ye'//levelc)
- !! end if
- !! if(level == lm(1) ) call escape_tm(' forced stop ')
- !
- ! ! Start main loop
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! !
- ! ! only cloud chemistry if substantial amount of clouds are present
- ! !
- ! if (cloudy(i,j)) then
- ! !
- ! ! oxidation of S(IV) by O3
- ! !
- ! so2x=y0(i,j,iso2)
- ! xcov=ye(i,j,icc)
- ! x1=min(100.,rw(i,j,kso2o3)*y0(i,j,io3)*dt)
- ! dso2=y0(i,j,iso2)*xcov*(exp(-x1)-1.)
- ! !only applied to xcov part of cloud
- ! !CMK print *, i,j, xcov, x1, y0(i,j,iso2), dso2
- ! dso2=max(-y0(i,j,io3)*xcov,dso2)! limit to o3 availability
- ! y(i,j,iso2)=y0(i,j,iso2)+dso2
- ! !NOTE CMK: paralel MPI should take care here!
- ! y(i,j,iso4)=y0(i,j,iso4)-dso2
- ! y(i,j,io3)=y0(i,j,io3)+dso2
- ! if ( io3 == 1 ) sum_wetchem(region) = sum_wetchem(region)- &
- ! dso2 *ye(i,j,iairm)/ (fscale(1)*y(i,j,iair))
- ! if ( iso2 == 1 ) sum_wetchem(region) = sum_wetchem(region)+ &
- ! dso2 *ye(i,j,iairm)/ (fscale(1)*y(i,j,iair))
- ! if ( iso4 == 1 ) sum_wetchem(region) = sum_wetchem(region)- &
- ! dso2 *ye(i,j,iairm)/ (fscale(1)*y(i,j,iair))
- ! c4(i,j,1)=c4(i,j,1)+dso2
- ! xliq=ye(i,j,ilwc)/ye(i,j,icc)
- ! !
- ! ! oxidation of S(IV) by H2O2
- ! !
- ! !*** here we explicitly solve the dv:
- ! ! y'=P-Q*y-R*y*y (P and Q are 0=>b3=0.)
- ! !
- ! so2x=y(i,j,iso2)
- ! if ( so2x > tiny(so2x) ) then
- ! b1=rw(i,j,kso2hp)
- ! b2=b1*(y0(i,j,ih2o2)-so2x)
- ! disc=min(100.,sqrt(b2*b2)) ! disc is b2 for b3=0.0
- ! x1=(b2-disc)/(-2.*b1) ! in this case x1 =0.
- ! x2=(b2+disc)/(-2.*b1)
- ! x3=(so2x-x1)/(so2x-x2)*exp(-disc*dt)
- ! so2x=(x1-x2*x3)/(1.-x3)
- ! dso2=(so2x-y(i,j,iso2))*xcov
- ! dso2=max(dso2,-y0(i,j,ih2o2)*xcov)
- ! y(i,j,iso2) =y(i,j,iso2)+dso2 ! dso2 is loss of SO2 and H2O2
- ! y(i,j,iso4)=y(i,j,iso4)-dso2
- ! y(i,j,ih2o2) =y0(i,j,ih2o2)+dso2
- ! if ( ih2o2 == 1 ) sum_wetchem(region) = sum_wetchem(region)- &
- ! dso2 *ye(i,j,iairm)/ (fscale(1)*y(i,j,iair))
- ! if ( iso2 == 1 ) sum_wetchem(region) = sum_wetchem(region)- &
- ! dso2 *ye(i,j,iairm)/ (fscale(1)*y(i,j,iair))
- ! if ( iso4 == 1 ) sum_wetchem(region) = sum_wetchem(region)+ &
- ! dso2 *ye(i,j,iairm)/ (fscale(1)*y(i,j,iair))
- ! c4(i,j,2)=c4(i,j,2)+dso2
- ! end if
- !
- ! !
- ! ! NH3 uptake in cloud droplets is limited by H2SO4 availability
- ! ! no HNO3 is considered at this point
- ! ! assume instantaneous uptake of NH3 incloud only in cloudy part
- ! !
- ! dnh3=max((2.*y(i,j,iso4)+y0(i,j,imsa)-y0(i,j,inh4))*xcov,0.)
- ! dnh3=max(-y0(i,j,inh3)*xcov,-dnh3)
- ! y(i,j,inh3)=y0(i,j,inh3)+dnh3 ! dnh3 is loss of NH3
- ! y(i,j,inh4)=y0(i,j,inh4)-dnh3
- ! if ( inh3 == 1 ) sum_wetchem(region) = sum_wetchem(region) - &
- ! dnh3*ye(i,j,iairm)/ (fscale(1)*y(i,j,iair))
- ! if ( inh4 == 1 ) sum_wetchem(region) = sum_wetchem(region) + &
- ! dnh3*ye(i,j,iairm)/ (fscale(1)*y(i,j,iair))
- ! c4(i,j,3)=c4(i,j,3)+dnh3
- ! end if !cloudy
- ! end do ! i,j,loop
- ! end do !
- !
- ! !free memory
- ! deallocate(hkso2 )
- ! deallocate(hkh2o2 )
- ! deallocate(hko3 )
- ! deallocate(dkso2 )
- ! deallocate(dkhso3 )
- ! deallocate(dkh2o )
- ! deallocate(dknh3 )
- ! deallocate(hknh3 )
- ! deallocate(hkco2 )
- ! deallocate(dkco2 )
- ! deallocate(hplus )
- ! deallocate(rw )
- ! deallocate(cloudy )
- !
- ! nullify(zoomed)
- !
- ! ! write(levelc, '(i2.2)') level
- ! ! call dumpfield(1,'wetS.hdf', im(region), jm(region), maxtrace, 1, y0, 'y0'//levelc)
- ! ! call dumpfield(1,'wetS.hdf', im(region), jm(region), n_extra , 1, ye, 'ye'//levelc)
- ! ! call dumpfield(1,'wetS.hdf', ntracet, ntemp, 1 , 1, henry, 'henry'//levelc)
- ! ! call dumpfield(1,'wetS.hdf', im(region), jm(region), maxtrace, 1, y, 'y'//levelc)
- !
- ! end subroutine wets
- !
- !
- !
- ! subroutine mark_trac(region,level,y,rr,rj,dt,ye)
- ! ! ---------
- ! ! call subroutine mark_trac(region,level,zoomed,y,rr,rj,dt,ye)
- ! ! region,level :: where and which cells
- ! ! zoomed :: which cells are done by child?
- ! ! y :: concentrations in layer
- ! ! rr :: reaction rates
- ! ! rj :: photolysis rates
- ! ! dt :: time step
- ! ! ye :: help fields ( air masses )
- ! !
- ! ! method
- ! ! ------
- ! ! calculate nox/pan/orgn/hno3 analogous to ebi scheme
- ! ! ozone production from marked nox
- ! ! simple nhx chemistry, scaled to real nhx
- ! !
- ! ! fjd Mon Aug 10 16:55:35 MET 1998/Fri Jan 1 17:08:37 MET 1999
- ! ! mk adapted for TM5 jan/2002
- ! !-------------------------------------------------------------
- ! use global_data, only : region_dat
- ! use budget_global, only : budmarkg,budg_dat,nzon_vg
- ! use budget_fine, only : budmark,nzon,nzon_v
- ! use chem_param
- ! use dims, only: isr, ier, jsr, jer, at, bt, im, jm
- !
- ! implicit none
- !
- ! ! input/output
- ! integer, intent(in) :: region,level
- ! real,dimension(im(region),jm(region),maxtrace) :: y
- ! real,dimension(im(region),jm(region),nreac),intent(in):: rr
- ! real,dimension(im(region),jm(region),nj ),intent(in):: rj
- ! real :: dt
- ! real, dimension(im(region),jm(region),n_extra) :: ye
- !
- ! ! local
- ! integer, dimension(:,:),pointer :: zoomed
- !
- ! ! start
- !
- ! zoomed => region_dat(region)%zoomed
- !
- ! call mark_o3s
- ! !
- ! ! more marked tracers possible here
- ! !
- ! nullify(zoomed)
- !
- ! contains
- !
- !
- ! subroutine mark_o3s
- ! !---------------------------------------------------
- ! ! marked tracer O3S stratospheric ozone
- ! !---------------------------------------------------
- !
- !#ifdef MPI
- ! use mpi_const,only: myid,lmar
- !#endif
- ! use dry_deposition, only: vd
- ! implicit none
- ! integer :: i,j,nzone,nzone_v
- ! real :: p3,xl3,o3old
- ! integer :: offsetl
- !
- ! offsetl=0
- !#ifdef MPI
- ! if(myid>0) offsetl=sum(lmar(0:myid-1))
- !#endif
- !
- ! do j=jsr(region),jer(region)
- ! do i=isr(region),ier(region)
- ! if(zoomed(i,j)/=region) cycle
- ! if (at(offsetl+level+1)+bt(offsetl+level+1)*1e5<= 14000) then !
- ! ! well, you want to count all layers below 140 hPa
- ! ! (given surface pressure of 1e5 Pa)
- ! ! in the current model setup (25 layers) this means
- ! ! 12077 + 1e5*0.00181 = 12258 Pa and above...
- !
- ! ! p3: production of o3 in stratosphere
- ! P3 = rj(i,j,jano3)*y(i,j,ino3)+ &
- ! rj(i,j,jno2)*y(i,j,ino2)
- ! XL3= rr(i,j,ko3ho2)*y(i,j,iho2)+&
- ! rr(i,j,ko3oh)*y(i,j,ioh)+ &
- ! rr(i,j,kno2o3)*y(i,j,ino2)+&
- ! rj(i,j,jo3d)+&
- ! rr(i,j,knoo3)*y(i,j,ino)+&
- ! rr(i,j,kc62)*y(i,j,ieth)+&
- ! rr(i,j,kc58)*y(i,j,iole)+&
- ! rr(i,j,kc77)*y(i,j,iisop)
- ! else
- ! !
- ! ! these are only the net destruction reactions
- ! !
- ! P3 = 0.
- ! XL3= rr(i,j,ko3ho2)*y(i,j,iho2)+&
- ! rr(i,j,ko3oh)*y(i,j,ioh)+&
- ! rj(i,j,jo3d)+&
- ! rr(i,j,kc62)*y(i,j,ieth)+&
- ! rr(i,j,kc58)*y(i,j,iole)+&
- ! rr(i,j,kc77)*y(i,j,iisop)
- ! ! add up deposition....
- ! if ( offsetl + level == 1 ) &
- ! XL3 = XL3 + vd(region,io3)%surf(i,j)/ye(i,j,idz)
- ! end if
- ! o3old=y(i,j,io3s)
- ! y(i,j,io3s)=(o3old+p3*dt)/(1.+xl3*dt)
- ! if ( region == nregions ) then
- ! nzone=nzon(i,j)
- ! nzone_v=nzon_v(level+offsetl)
- ! ! budget in mole
- ! budmark(nzone,nzone_v,1)=budmark(nzone,nzone_v,1)+ &
- ! (y(i,j,io3s)-o3old)*ye(i,j,iairm)*1000./xmair/y(i,j,iair)
- ! end if
- ! nzone=budg_dat(region)%nzong(i,j) ! global budget
- ! nzone_v=nzon_vg(level+offsetl)
- ! budmarkg(nzone,nzone_v,1)=budmarkg(nzone,nzone_v,1)+ &
- ! (y(i,j,io3s)-o3old)*ye(i,j,iairm)*1000./xmair/y(i,j,iair)
- ! end do
- !
- ! end do !i,j, l
- !
- ! end subroutine mark_o3s
- !
- ! end subroutine mark_trac
- !
- !
- !
- end module ebischeme
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