subroutine ironchem(dt,dtpig,aero_flag,wpuff,tpuff,ppuff,cwpuff, & phpuff,ldark,conpin,cback,avgcnc,convfac, & ierr1,ierr2) use chmstry use filunit use tracer implicit none c c----CAMx v7Beta6 190902 c c IRONCHEM performs chemistry on the current puff reactor for one c time step. It uses the LSODE solver exclusively for the gas-phase. c c Local array element con(nspec+1) is used to store the concentrations c of non-used species, i.e., species that are in the chem solver but c not on the species list for this run. c c Copyright 1996 - 2018 c Ramboll c c Modifications: c 10/06/05 Removed mechanism 2 c 01/12/06 Added PM chemistry calls for AERO_CF c 12/26/06 Removed AEROCHEM_AQ (merged into AEROCHEM_CF) c 01/08/07 Added mechanism 6 (CB05) c 02/21/08 Added coupling time for puff aerosol chemistry c 03/31/08 Puff killed before PM chemistry for concs < lower bound c 05/13/08 Modified to skip ISOROPIA for background chemistry. c 05/28/10 Added mechanism 7 (CB6) c 07/20/12 Added Mechanism 1 (CB06 with Iodine chemistry) c 10/10/12 Added mechanism 2 (CB6r1) c 06/28/13 Modified for new GREASD PiG chemistry (RADM-AQ only) c 03/18/14 Revised for benzene SOA (AEROCHEM_CF interface change) c 06/27/14 Added Mechanism 3 (CB6r2h) c 11/11/14 Added Mechanism 4 (CB6r3) c 10/13/17 Added a dummy argument to AEROCHEM_CF call (aerosol pH) c 10/16/17 Added a dummy argument to AEROCHEM_CF call (time-weighted JNO2) c Changed DUMARR2 size c c Input arguments: c dt gas/aqueous chemistry timestep (s) c dtpig PiG coupling timestep (hr) c aero_flag flag to determine which PM algorithm to call c wpuff water vapor (ppm) c tpuff temperature (K) c ppuff pressure (mb) c cwpuff cloud liquid water content (g/m3) c phpuff cloud pH c ldark darkness flag (T=dark) c conpin puff species concentration (ppm,ug/m3) c cback background species concentration (ppm,ug/m3) c convfac conversion factor: umol/m3 = ppm * convfac c c Output arguments: c conpin puff species concentration (ppm,ug/m3) c avgcnc time-step average puff concentrations c ierr1 error code (=1 if LSODE reports error) c ierr2 error code (=1 if neg concs for AEROCHEM) c c Routines called: c LSCALL c AEROCHEM_CF c c Called by: c PIGDRIVE c include 'camx.prm' include 'flags.inc' include 'soap.inc' c c-----Subroutine names to be called by LSODE c external lsrate2 external lsrate3 external lsrate4 external lsrate5 external lsrate6 external lsrate_pig c real conpin(*) real cback(*) real avgcnc(*) c real rrxn(MXREACT) real dt,dtpig,wpuff,tpuff,ppuff,cwpuff,phpuff,convfac,dtchem real atm,o2,ch4,h2,cliq real dumvar real dumarr1(NNV),dumarr2(7,MXSPEC),dumarr3(MXFDDM*NNV),dumarr4(1) real cold_so2,cold_pso4,cold_hno3,cold_pno3,cold_nh3,cold_pnh4, & cold_na, cold_pcl real coldb_so2,coldb_pso4 real so2frc integer is,ierr1,ierr2,aero_flag logical ldark c real con(MXSPEC+1) c c-----Entry point c dtchem = dt/3600. con(nspec+1) = 0. do is = 1,nspec con(is) = conpin(is) enddo c c-----Chemistry integration, pass subroutines for mechanism used c atm = 1.e6 O2 = 2.095e5 CH4 = 1.75 H2 = 0.50 c if (ipigflg.eq.GRESPIG) then call lscall(lsrate_pig,dtchem,wpuff,atm,O2,CH4,H2,con, & avgcnc,nreact,rrxn,ierr1,.FALSE.,ipigflg) elseif (idmech.eq.2) then call lscall(lsrate2,dtchem,wpuff,atm,O2,CH4,H2,con, & avgcnc,nreact,rrxn,ierr1,.FALSE.,ipigflg) elseif (idmech.eq.3) then call lscall(lsrate3,dtchem,wpuff,atm,O2,CH4,H2,con, & avgcnc,nreact,rrxn,ierr1,.FALSE.,ipigflg) elseif (idmech.eq.4) then call lscall(lsrate4,dtchem,wpuff,atm,O2,CH4,H2,con, & avgcnc,nreact,rrxn,ierr1,.FALSE.,ipigflg) elseif (idmech.eq.5) then call lscall(lsrate5,dtchem,wpuff,atm,O2,CH4,H2,con, & avgcnc,nreact,rrxn,ierr1,.FALSE.,ipigflg) elseif (idmech.eq.6) then call lscall(lsrate6,dtchem,wpuff,atm,O2,CH4,H2,con, & avgcnc,nreact,rrxn,ierr1,.FALSE.,ipigflg) endif if (ierr1 .ne. 0) return c c-----Perform aerosol chemistry if it's time c if (aero_flag .gt. 0) then cliq = cwpuff if (tpuff.lt.273.) & cliq = amax1(0.,cliq*(tpuff - tamin)/(273. - tamin)) if (cliq.ge.cwmin .and. tpuff.gt.tamin) then c c-----Minimum conc check: kill the puff if below BDNL values c ierr2 = 0 if (con(kso2) .lt. 0. .or. & con(khno3).lt. 0. .or. & con(kn2o5).lt. 0. .or. & con(knh3) .lt. 0. .or. & con(kh2o2).lt. 0. .or. & con(ko3) .lt. 0. .or. & con(ksulf).lt. 0.) ierr2 = 1 do is = ngas+1,nspec if (is.ne.kph2o .and. con(is).lt.0.) ierr2 = 1 enddo if (ierr2 .ne. 0) return c c-----Convert all SULF->PSO4, N2O5->HNO3 in cloud water before PM chemistry c con(kpso4) = con(kpso4) + con(ksulf)*96.*convfac con(ksulf) = 0. con(khno3) = con(khno3) + 2.*con(kn2o5) con(kn2o5) = 0. cold_so2 = con(kso2) cold_pso4 = con(kpso4) cold_hno3 = con(khno3) cold_pno3 = con(kpno3) cold_nh3 = con(knh3) cold_pnh4 = con(kpnh4) cold_na = con(kna) cold_pcl = con(kpcl) con(kso2) = con(kso2) + cback(kso2) con(kpso4) = con(kpso4) + cback(kpso4) coldb_so2 = con(kso2) coldb_pso4 = con(kpso4) con(khno3) = con(khno3) + cback(khno3) con(kpno3) = con(kpno3) + cback(kpno3) con(knh3) = con(knh3) + cback(knh3) con(kpnh4) = con(kpnh4) + cback(kpnh4) con(kna) = con(kna) + cback(kna) con(kpcl) = con(kpcl) + cback(kpcl) so2frc = cold_so2/max(con(kso2),bdnl(kso2)) c call aerochem_cf(wpuff,tpuff,ppuff,cliq,phpuff, & dumvar,dumvar, & dumarr1,con,convfac,dtchem,dtpig, & dumarr2,dumarr3,dumarr4,1,1, & .FALSE.,1,aero_flag,.TRUE.,0,ldark) c con(kso2) = cold_so2 + (con(kso2) - coldb_so2)*so2frc con(kpso4) = cold_pso4 + (con(kpso4) - coldb_pso4)*so2frc con(khno3) = cold_hno3 con(kpno3) = cold_pno3 con(knh3) = cold_nh3 con(kpnh4) = cold_pnh4 con(kna) = cold_na con(kpcl) = cold_pcl endif endif c c-----Update input species arrays c do is = 1,nrad con(is) = amax1(con(is),bdnl(is)) enddo do is = 1,nspec conpin(is) = con(is) enddo conpin(nspec+1) = 0. c return end