subroutine cpamech6(r, rk, dtfact, nr, pa, npa, npa_init, ldark ) use filunit use tracer use procan implicit none c c----CAMx v7Beta6 190902 c c CPAMECH6 computes chemical process analysis (CPA) parameters c c Copyright 1996 - 2018 c Ramboll c Created by the CMC version 5.2.6 c c --- Subroutines Called: c none c c --- Called by: c PASETUP c CHEMDRIV c c --- Argument definitions: c r - reaction rates (ppm/hr) c rk - rate constants (ppm-n hr-1) c dtfact - ratio of time step to averaging interval c nr - number of reactions c pa - output cpa parameter values c npa - dimension of cpa parameter arrays c npa_init - number of cpa parameters calculated below c ldark - flag set true at night c c --- Includes: include "camx.prm" c c --- Arguments: c integer nr, npa, npa_init real r(nr), rk(nr), pa(MXCPA) real dtfact logical ldark c c --- Parameters: c c Cut-point between NOx and VOC sensitive O3 production c Default = 0.35. Recommended range is 0.15 to 0.35 real ratio_cut parameter (ratio_cut = 0.35) c c Convert PPM to PPB real ppbfact parameter (ppbfact = 1000.0) c c --- Local variables: c integer n, nn, light real sum, po3, do3, HO2toNO2, HO2_loss real NO2wOH, HO2wHO2, ratio_ind real OH_new, HO2_new, OH_loss, RO2_loss, HOx_CL real newOH_O1D, newOH_O3, newOH_phot real newHO2_O3, newHO2_pht real NO3wVOC, N2O5wH2O, PAN_prdNet, ON_prod c c --- Entry point: c nn = 0 light = 1 if (ldark) light = 0 c c --- J(NO2) photolysis rate (per hour) c nn = nn + 1 ptname(nn) = 'J_NO2' cpadesc(nn) = 'J(NO2) photolysis rate' cpaunit(nn) = 'hr-1' PA(nn) = rk( 1)*dtfact c c --- J(O3O1D) photolysis rate (per hour) c nn = nn + 1 ptname(nn) = 'J_O3O1D' cpadesc(nn) = 'J(O3) to O(1D) photolysis rate' cpaunit(nn) = 'hr-1' PA(nn) = rk( 9)*dtfact c c c --- Net O3 production c nn = nn + 1 ptname(nn) = 'PO3_net' cpadesc(nn) = 'Net O3 production rate' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 2) ! O + O2 + M = & + ( 0.200)*r( 92) ! C2O3 + HO2 = & + ( 0.200)*r(108) ! CXO3 + HO2 = & - r( 3) ! O3 + NO = & - r( 7) ! NO2 + O3 = & - r( 8) ! O3 = & - r( 9) ! O3 = & - r( 12) ! O3 + OH = & - r( 13) ! O3 + HO2 = & - r( 49) ! NO3 + O3 = & - r(121) ! O3 + OLE = & - r(125) ! O3 + ETH = & - r(129) ! IOLE + O3 = & - r(140) ! OPEN + O3 = & - r(146) ! O3 + ISOP = & - r(150) ! O3 + ISPD = & - r(155) ! TERP + O3 = c po3 = max(0.0, PA(nn)) do3 = min(0.0, PA(nn)) c c --- Calculate the P(H2O2)/P(HNO3) indicator ratio and apply to PO3 c HO2wHO2 = + r( 34) + r( 35) NO2wOH = + r( 28) ratio_ind = min( 10., HO2wHO2/max( 1.0E-12, NO2wOH ) )*light c nn = nn + 2 ptname(nn-1) = 'PO3_VOCsns' cpadesc(nn-1) = 'Net O3 production rate under VOC-limited condition' cpaunit(nn-1) = 'ppb hr-1' ptname(nn) = 'PO3_NOxsns' cpadesc(nn) = 'Net O3 production rate under NOx-limited condition' cpaunit(nn) = 'ppb hr-1' PA(nn-1) = 0.0 PA(nn) = 0.0 if (ratio_ind .GT. 0.0) then if (ratio_ind .LT. ratio_cut ) then PA(nn-1) = PO3 else PA(nn) = PO3 endif endif c c --- Report the P(H2O2)/P(HNO3) indicator ratio c if(.NOT. lcpacum) then nn = nn + 1 ptname(nn) = 'PH2O2_PHN3' cpadesc(nn) = 'Ratio of production rates for H2O2/HNO3' cpaunit(nn) = 'dimensionless' if (ldark) then PA(nn) = 0.0 else PA(nn) = ratio_ind * (dtfact/ppbfact) endif endif c c --- Ozone destruction calculation from OSAT c nn = nn + 1 ptname(nn) = 'O3_dest' cpadesc(nn) = 'O3 destruction rate (same implementation as OSAT)' cpaunit(nn) = 'ppb hr-1' c c + O1D + H2O c PA(nn) = & - r( 11) ! O1D + H2O = c c + HO2 + O3 (assuming no OH recycled) c PA(nn) = PA(nn) & - r( 13) ! O3 + HO2 = c c + OH + O3 (accounting for HO2 recycled to O3 via NO2 produced) c HO2toNO2 = & + r( 30) ! HO2 + NO = c HO2_loss = & + r( 13) ! O3 + HO2 = & + r( 30) ! HO2 + NO = & + ( 2.000)*r( 34) ! HO2 + HO2 = & + ( 2.000)*r( 35) ! HO2 + HO2 + H2O = & + r( 43) ! OH + HO2 = & + r( 44) ! HO2 + O = & + r( 48) ! NO3 + HO2 = & + r( 56) ! XO2 + HO2 = & + r( 57) ! XO2N + HO2 = & + r( 69) ! MEO2 + HO2 = & + r( 79) ! FORM + HO2 = & + r( 82) ! HCO3 + HO2 = & + r( 92) ! C2O3 + HO2 = & + r(108) ! CXO3 + HO2 = & + r(137) ! CRO + HO2 = c PA(nn) = PA(nn) - ( & + r( 12) ! O3 + OH = & ) * (HO2_loss-HO2toNO2)/(HO2_loss+10E-12) c c + O3 + VOC c PA(nn) = PA(nn) & - r(121) ! O3 + OLE = & - r(125) ! O3 + ETH = & - r(129) ! IOLE + O3 = & - r(140) ! OPEN + O3 = & - r(146) ! O3 + ISOP = & - r(150) ! O3 + ISPD = & - r(155) ! TERP + O3 = c c + O(3P) + VOC c PA(nn) = PA(nn) & - r( 77) ! FORM + O = & - r( 84) ! ALD2 + O = & - r( 99) ! ALDX + O = & - r(119) ! O + OLE = & - r(123) ! O + ETH = & - r(127) ! IOLE + O = & - r(144) ! O + ISOP = & - r(153) ! TERP + O = c PA(nn) = min(PA(nn), do3) c c --- Total OH production c nn = nn + 1 ptname(nn) = 'OH_prod' cpadesc(nn) = 'Total OH production rate' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 2.000)*r( 11) ! O1D + H2O = & + r( 13) ! O3 + HO2 = & + r( 25) ! HONO = & + r( 30) ! HO2 + NO = & + ( 2.000)*r( 36) ! H2O2 = & + r( 38) ! O1D + H2 = & + r( 44) ! HO2 + O = & + r( 45) ! H2O2 + O = & + ( 0.390)*r( 51) ! PNA = & + r( 52) ! HNO3 = & + r( 65) ! ROOH = & + r( 72) ! MEPX = & + r( 77) ! FORM + O = & + r( 84) ! ALD2 + O = & + r( 97) ! PACD = & + r( 99) ! ALDX + O = & + ( 0.100)*r(119) ! O + OLE = & + ( 0.100)*r(121) ! O3 + OLE = & + ( 0.300)*r(123) ! O + ETH = & + ( 0.130)*r(125) ! O3 + ETH = & + ( 0.500)*r(129) ! IOLE + O3 = & + ( 0.080)*r(140) ! OPEN + O3 = & + ( 0.266)*r(146) ! O3 + ISOP = & + ( 0.268)*r(150) ! O3 + ISPD = & + ( 0.570)*r(155) ! TERP + O3 = c c --- OH from O(1D) c nn = nn + 1 ptname(nn) = 'newOH_O1D' cpadesc(nn) = 'OH production rate from O(1D) + H2O' cpaunit(nn) = 'ppb hr-1' PA(nn) = ( 2.000)*r( 11) ! O1D + H2O = newOH_O1D = PA(nn) c c --- OH from O3 reactions with VOC c nn = nn + 1 ptname(nn) = 'newOH_O3' cpadesc(nn) = 'OH production rate from O3 + VOC' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 0.100)*r(121) ! O3 + OLE = & + ( 0.130)*r(125) ! O3 + ETH = & + ( 0.500)*r(129) ! IOLE + O3 = & + ( 0.080)*r(140) ! OPEN + O3 = & + ( 0.266)*r(146) ! O3 + ISOP = & + ( 0.268)*r(150) ! O3 + ISPD = & + ( 0.570)*r(155) ! TERP + O3 = newOH_O3 = PA(nn) c c --- OH directly from photolysis, excluding from PNA c nn = nn + 1 ptname(nn) = 'newOH_phot' cpadesc(nn) = 'OH production rate directly from photolysis, excluding from PNA' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 25) ! HONO = & + ( 2.000)*r( 36) ! H2O2 = & + r( 52) ! HNO3 = & + r( 65) ! ROOH = & + r( 72) ! MEPX = & + r( 97) ! PACD = newOH_phot = PA(nn) c c --- New OH c nn = nn + 1 ptname(nn) = 'OH_new' cpadesc(nn) = 'New OH, i.e., newOH_O1D + newOH_O3 + newOH_phot' cpaunit(nn) = 'ppb hr-1' PA(nn) = newOH_O1D + newOH_O3 + newOH_phot OH_new = PA(nn) c c --- OH from HONO c nn = nn + 1 ptname(nn) = 'newOH_HONO' cpadesc(nn) = 'OH production rate from HONO photolysis' cpaunit(nn) = 'ppb hr-1' PA(nn) = r( 25) ! HONO = c c --- OH loss c nn = nn + 1 ptname(nn) = 'OH_loss' cpadesc(nn) = 'OH loss' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 12) ! O3 + OH = & + r( 24) ! NO + OH = & + r( 26) ! OH + HONO = & + r( 28) ! NO2 + OH = & + r( 29) ! OH + HNO3 = & + r( 33) ! OH + PNA = & + r( 37) ! OH + H2O2 = & + r( 39) ! OH + H2 = & + r( 40) ! OH + O = & + ( 2.000)*r( 41) ! OH + OH = & + ( 2.000)*r( 42) ! OH + OH = & + r( 43) ! OH + HO2 = & + r( 47) ! NO3 + OH = & + r( 61) ! NTR + OH = & + r( 63) ! SO2 + OH = & + r( 64) ! ROOH + OH = & + r( 66) ! OH + CO = & + r( 67) ! OH + CH4 = & + r( 71) ! MEPX + OH = & + r( 73) ! MEOH + OH = & + r( 74) ! FORM + OH = & + r( 83) ! FACD + OH = & + r( 85) ! ALD2 + OH = & + r( 96) ! PACD + OH = & + r( 98) ! AACD + OH = & + r(100) ! ALDX + OH = & + r(107) ! PANX + OH = & + r(113) ! OH + ETHA = & + r(114) ! OH + ETOH = & + r(115) ! PAR + OH = & + r(120) ! OH + OLE = & + r(124) ! OH + ETH = & + r(128) ! IOLE + OH = & + r(131) ! TOL + OH = & + r(134) ! OH + CRES = & + r(139) ! OPEN + OH = & + r(141) ! OH + XYL = & + r(142) ! OH + MGLY = & + r(145) ! OH + ISOP = & + r(149) ! OH + ISPD = & + r(154) ! TERP + OH = OH_loss = PA(nn) c c --- OH with CO c nn = nn + 1 ptname(nn) = 'OHwCO' cpadesc(nn) = 'OH reaction rate with CO' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 66) ! OH + CO = c c --- OH with isoprene c nn = nn + 1 ptname(nn) = 'OHwISOP' cpadesc(nn) = 'OH reaction rate with isoprene' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r(145) ! OH + ISOP = c c --- OH with VOC c nn = nn + 1 ptname(nn) = 'OHwVOC' cpadesc(nn) = 'OH reaction rate with all VOC' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 73) ! MEOH + OH = & + r( 74) ! FORM + OH = & + r( 85) ! ALD2 + OH = & + r(100) ! ALDX + OH = & + r(113) ! OH + ETHA = & + r(114) ! OH + ETOH = & + r(115) ! PAR + OH = & + r(120) ! OH + OLE = & + r(124) ! OH + ETH = & + r(128) ! IOLE + OH = & + r(131) ! TOL + OH = & + r(141) ! OH + XYL = & + r(145) ! OH + ISOP = & + r(154) ! TERP + OH = c c --- OH with HRVOC c nn = nn + 1 ptname(nn) = 'OHwHRVOC' cpadesc(nn) = 'OH reaction rate with HRVOC' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r(120) ! OH + OLE = & + r(124) ! OH + ETH = & + r(128) ! IOLE + OH = c c --- OH with Aromatics c nn = nn + 1 ptname(nn) = 'OHwArom' cpadesc(nn) = 'OH reaction rate with aromatic VOC' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r(131) ! TOL + OH = & + r(141) ! OH + XYL = c c --- OH with Alkanes (except methane) c nn = nn + 1 ptname(nn) = 'OHwAlkane' cpadesc(nn) = 'OH reaction rate with alkanes (except methane)' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r(113) ! OH + ETHA = & + r(115) ! PAR + OH = c c --- Total HCHO production c nn = nn + 1 ptname(nn) = 'HCHO_prod' cpadesc(nn) = 'Total HCHO production rate' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 0.330)*r( 61) ! NTR + OH = & + ( 0.330)*r( 62) ! NTR = & + r( 68) ! MEO2 + NO = & + ( 1.370)*r( 70) ! MEO2 + MEO2 = & + r( 72) ! MEPX = & + r( 73) ! MEOH + OH = & + r( 80) ! HCO3 = & + r( 93) ! C2O3 + MEO2 = & + ( 0.100)*r(109) ! CXO3 + MEO2 = & + ( 0.100)*r(114) ! OH + ETOH = & + ( 0.200)*r(119) ! O + OLE = & + ( 0.800)*r(120) ! OH + OLE = & + ( 0.740)*r(121) ! O3 + OLE = & + r(122) ! NO3 + OLE = & + r(123) ! O + ETH = & + ( 1.560)*r(124) ! OH + ETH = & + r(125) ! O3 + ETH = & + ( 2.000)*r(126) ! NO3 + ETH = & + ( 0.250)*r(129) ! IOLE + O3 = & + r(139) ! OPEN + OH = & + ( 0.700)*r(140) ! OPEN + O3 = & + ( 0.500)*r(144) ! O + ISOP = & + ( 0.629)*r(145) ! OH + ISOP = & + ( 0.600)*r(146) ! O3 + ISOP = & + ( 0.167)*r(149) ! OH + ISPD = & + ( 0.150)*r(150) ! O3 + ISPD = & + ( 0.282)*r(151) ! NO3 + ISPD = & + ( 0.900)*r(152) ! ISPD = & + ( 0.280)*r(154) ! TERP + OH = & + ( 0.240)*r(155) ! TERP + O3 = c c --- HCHO production from HRVOC c nn = nn + 1 ptname(nn) = 'nwHCHO_HRV' cpadesc(nn) = 'HCHO production rate from HRVOC' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 0.200)*r(119) ! O + OLE = & + ( 0.800)*r(120) ! OH + OLE = & + ( 0.740)*r(121) ! O3 + OLE = & + r(122) ! NO3 + OLE = & + r(123) ! O + ETH = & + ( 1.560)*r(124) ! OH + ETH = & + r(125) ! O3 + ETH = & + ( 2.000)*r(126) ! NO3 + ETH = & + ( 0.250)*r(129) ! IOLE + O3 = c c --- HCHO production from Isoprene at first generation c nn = nn + 1 ptname(nn) = 'nwHCHO_ISP' cpadesc(nn) = 'HCHO production rate from isoprene at first generation' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 0.500)*r(144) ! O + ISOP = & + ( 0.629)*r(145) ! OH + ISOP = & + ( 0.600)*r(146) ! O3 + ISOP = c c --- Total HO2 production, excluding from PNA c nn = nn + 1 ptname(nn) = 'HO2_prod' cpadesc(nn) = 'Total HO2 production rate, excluding from PNA' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 12) ! O3 + OH = & + r( 37) ! OH + H2O2 = & + r( 38) ! O1D + H2 = & + r( 39) ! OH + H2 = & + r( 40) ! OH + O = & + r( 45) ! H2O2 + O = & + r( 47) ! NO3 + OH = & + r( 61) ! NTR + OH = & + r( 62) ! NTR = & + r( 63) ! SO2 + OH = & + r( 65) ! ROOH = & + r( 66) ! OH + CO = & + r( 68) ! MEO2 + NO = & + ( 0.740)*r( 70) ! MEO2 + MEO2 = & + ( 0.300)*r( 71) ! MEPX + OH = & + r( 72) ! MEPX = & + r( 73) ! MEOH + OH = & + r( 74) ! FORM + OH = & + ( 2.000)*r( 75) ! FORM = & + r( 77) ! FORM + O = & + r( 78) ! FORM + NO3 = & + r( 80) ! HCO3 = & + r( 81) ! HCO3 + NO = & + r( 83) ! FACD + OH = & + r( 87) ! ALD2 = & + ( 0.900)*r( 93) ! C2O3 + MEO2 = & + r(102) ! ALDX = & + r(103) ! CXO3 + NO = & + r(109) ! CXO3 + MEO2 = & + ( 2.000)*r(111) ! CXO3 + CXO3 = & + r(112) ! CXO3 + C2O3 = & + r(113) ! OH + ETHA = & + r(114) ! OH + ETOH = & + ( 0.110)*r(115) ! PAR + OH = & + ( 0.940)*r(116) ! ROR = & + r(117) ! ROR = & + ( 0.300)*r(119) ! O + OLE = & + ( 0.950)*r(120) ! OH + OLE = & + ( 0.440)*r(121) ! O3 + OLE = & + ( 1.700)*r(123) ! O + ETH = & + r(124) ! OH + ETH = & + ( 0.130)*r(125) ! O3 + ETH = & + ( 0.100)*r(127) ! IOLE + O = & + r(128) ! IOLE + OH = & + ( 0.500)*r(129) ! IOLE + O3 = & + r(130) ! IOLE + NO3 = & + ( 0.440)*r(131) ! TOL + OH = & + ( 0.900)*r(132) ! TO2 + NO = & + r(133) ! TO2 = & + ( 0.600)*r(134) ! OH + CRES = & + r(138) ! OPEN = & + ( 2.000)*r(139) ! OPEN + OH = & + ( 0.760)*r(140) ! OPEN + O3 = & + ( 0.700)*r(141) ! OH + XYL = & + r(143) ! MGLY = & + ( 0.250)*r(144) ! O + ISOP = & + ( 0.912)*r(145) ! OH + ISOP = & + ( 0.066)*r(146) ! O3 + ISOP = & + ( 0.800)*r(147) ! NO3 + ISOP = & + ( 0.800)*r(148) ! NO2 + ISOP = & + ( 0.503)*r(149) ! OH + ISPD = & + ( 0.154)*r(150) ! O3 + ISPD = & + ( 0.925)*r(151) ! NO3 + ISPD = & + ( 1.033)*r(152) ! ISPD = & + ( 0.750)*r(154) ! TERP + OH = & + ( 0.070)*r(155) ! TERP + O3 = & + ( 0.280)*r(156) ! TERP + NO3 = c c --- HO2 from O3 reactions with VOC c nn = nn + 1 ptname(nn) = 'newHO2_O3' cpadesc(nn) = 'HO2 production rate from O3 + VOC' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 0.440)*r(121) ! O3 + OLE = & + ( 0.130)*r(125) ! O3 + ETH = & + ( 0.500)*r(129) ! IOLE + O3 = & + ( 0.760)*r(140) ! OPEN + O3 = & + ( 0.066)*r(146) ! O3 + ISOP = & + ( 0.154)*r(150) ! O3 + ISPD = & + ( 0.070)*r(155) ! TERP + O3 = newHO2_O3 = PA(nn) c c --- HO2 directly from photolysis, excluding from PNA c nn = nn + 1 ptname(nn) = 'newHO2_pht' cpadesc(nn) = 'HO2 production rate directly from photolysis, excluding from PNA' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 62) ! NTR = & + r( 65) ! ROOH = & + r( 72) ! MEPX = & + ( 2.000)*r( 75) ! FORM = & + r( 87) ! ALD2 = & + r(102) ! ALDX = & + ( 0.940)*r(116) ! ROR = & + r(117) ! ROR = & + r(133) ! TO2 = & + r(138) ! OPEN = & + r(143) ! MGLY = & + ( 1.033)*r(152) ! ISPD = newHO2_pht = PA(nn) c c --- New HO2 c nn = nn + 1 ptname(nn) = 'HO2_new' cpadesc(nn) = 'New HO2 production rate, i.e. newHO2_O3 + newHO2_pht' cpaunit(nn) = 'ppb hr-1' PA(nn) = newHO2_O3 + newHO2_pht OH_new = PA(nn) c c --- HO2 from HCHO photolysis c nn = nn + 1 ptname(nn) = 'nwHO2_HCHO' cpadesc(nn) = 'HO2 production rate from HCHO photolysis' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 2.000)*r( 75) ! FORM = c c --- HO2 loss (except to HNO4) - computed above c nn = nn + 1 ptname(nn) = 'HO2_loss' cpadesc(nn) = 'HO2 loss (except to HNO4)' cpaunit(nn) = 'ppb hr-1' PA(nn) = HO2_loss c c --- HO2wHO2 - computed above c nn = nn + 1 ptname(nn) = 'HO2wHO2' cpadesc(nn) = 'HO2 + HO2 self-reaction' cpaunit(nn) = 'ppb hr-1' PA(nn) = HO2wHO2 c c --- HOx chain length = HOx reacted / new HOx c if(.NOT. lcpacum) then nn = nn + 1 ptname(nn) = 'HOx_CL' cpadesc(nn) = 'HOx chain length = HOx reacted / new HOx' cpaunit(nn) = 'dimensionless' PA(nn) = ((OH_loss + HO2_loss) / max( 1.0E-12, (OH_new + HO2_new))) & *light*(dtfact/ppbfact) endif c c --- NO3 production c nn = nn + 1 ptname(nn) = 'NO3_prod' cpadesc(nn) = 'NO3 production' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 5) ! O + NO2 = & + r( 7) ! NO2 + O3 = & + r( 21) ! N2O5 = & + r( 29) ! OH + HNO3 = & + ( 0.390)*r( 51) ! PNA = & + r( 53) ! N2O5 = c c --- NO3 production from N2O5 c nn = nn + 1 ptname(nn) = 'N2O5toNO3' cpadesc(nn) = 'NO3 production from N2O5' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 21) ! N2O5 = & + r( 53) ! N2O5 = c c --- NO3 loss c nn = nn + 1 ptname(nn) = 'NO3_loss' cpadesc(nn) = 'NO3 loss' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 14) ! NO3 = & + r( 15) ! NO3 = & + r( 16) ! NO3 + NO = & + r( 17) ! NO3 + NO2 = & + r( 18) ! NO3 + NO2 = & + r( 46) ! NO3 + O = & + r( 47) ! NO3 + OH = & + r( 48) ! NO3 + HO2 = & + r( 49) ! NO3 + O3 = & + ( 2.000)*r( 50) ! NO3 + NO3 = & + r( 78) ! FORM + NO3 = & + r( 86) ! ALD2 + NO3 = & + r(101) ! ALDX + NO3 = & + r(122) ! NO3 + OLE = & + r(126) ! NO3 + ETH = & + r(130) ! IOLE + NO3 = & + r(135) ! CRES + NO3 = & + r(147) ! NO3 + ISOP = & + r(151) ! NO3 + ISPD = & + r(156) ! TERP + NO3 = c c --- NO3 to N2O5 c nn = nn + 1 ptname(nn) = 'NO3toN2O5' cpadesc(nn) = 'NO3 conversion to N2O5' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 18) ! NO3 + NO2 = c c --- Total production of ON compounds c nn = nn + 1 ptname(nn) = 'ON_prod' cpadesc(nn) = 'Total production of organic nitrate (ON)' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 55) ! XO2N + NO = & + r(118) ! ROR + NO2 = & + ( 0.100)*r(132) ! TO2 + NO = & + r(136) ! CRO + NO2 = & + ( 0.800)*r(147) ! NO3 + ISOP = & + ( 0.800)*r(148) ! NO2 + ISOP = & + ( 0.850)*r(151) ! NO3 + ISPD = & + ( 0.530)*r(156) ! TERP + NO3 = ON_prod = PA(nn) c c --- NTR production c nn = nn + 1 ptname(nn) = 'NTR_prod' cpadesc(nn) = 'Total production of the species NTR' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 55) ! XO2N + NO = & + r(118) ! ROR + NO2 = & + ( 0.100)*r(132) ! TO2 + NO = & + r(136) ! CRO + NO2 = & + ( 0.800)*r(147) ! NO3 + ISOP = & + ( 0.800)*r(148) ! NO2 + ISOP = & + ( 0.850)*r(151) ! NO3 + ISPD = & + ( 0.530)*r(156) ! TERP + NO3 = c c --- HNO3 production c nn = nn + 1 ptname(nn) = 'HNO3_prod' cpadesc(nn) = 'HNO3 production' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 2.000)*r( 19) ! N2O5 + H2O = & + ( 2.000)*r( 20) ! N2O5 + H2O + H2O = & + r( 28) ! NO2 + OH = & + r( 48) ! NO3 + HO2 = & + r( 61) ! NTR + OH = & + r( 78) ! FORM + NO3 = & + r( 86) ! ALD2 + NO3 = & + r(101) ! ALDX + NO3 = & + r(135) ! CRES + NO3 = & + ( 0.150)*r(151) ! NO3 + ISPD = c c --- HNO3 production from NO2 with OH - computed above c nn = nn + 1 ptname(nn) = 'NO2wOH' cpadesc(nn) = 'HNO3 production from OH + NO2' cpaunit(nn) = 'ppb hr-1' PA(nn) = NO2wOH c c --- HNO3 production from N2O5 with H2O c nn = nn + 1 ptname(nn) = 'N2O5wH2O' cpadesc(nn) = 'HNO3 production from N2O5 + H2O' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 2.000)*r( 19) ! N2O5 + H2O = & + ( 2.000)*r( 20) ! N2O5 + H2O + H2O = N2O5wH2O = PA(nn) c c --- NO2 recycled from HNO3 and organic nitrates c c explicit isoprene nitrates and nitrophenols excluded c nn = nn + 1 ptname(nn) = 'NO2_rcycl' cpadesc(nn) = 'NO2 recycled from HNO3 and organic nitrates' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 52) ! HNO3 = & + r( 62) ! NTR = c c --- Net production of PAN compounds c nn = nn + 1 ptname(nn) = 'PAN_prdNet' cpadesc(nn) = 'Net production of PAN species' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 89) ! C2O3 + NO2 = & + r(104) ! CXO3 + NO2 = & - r( 90) ! PAN = & - r( 91) ! PAN = & - r(105) ! PANX = & - r(106) ! PANX = & - r(107) ! PANX + OH = PAN_prdNet = PA(nn) c c --- NO3 with VOC c nn = nn + 1 ptname(nn) = 'NO3wVOC' cpadesc(nn) = 'NO3 reaction with VOC species' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 78) ! FORM + NO3 = & + r( 86) ! ALD2 + NO3 = & + r(101) ! ALDX + NO3 = & + r(122) ! NO3 + OLE = & + r(126) ! NO3 + ETH = & + r(130) ! IOLE + NO3 = & + r(147) ! NO3 + ISOP = & + r(156) ! TERP + NO3 = NO3wVOC = PA(nn) c c --- LN/Q calculation c if(.NOT. lcpacum) then nn = nn + 1 ptname(nn) = 'LNoQ' cpadesc(nn) = 'LN/Q metric for ozone sensitivity' cpaunit(nn) = 'dimensionless' PA(nn) = ( NO2wOH + NO3wVOC + N2O5wH2O + & max( 0., PAN_prdNet ) + ON_prod ) & / max( 1.0E-12, (OH_new + HO2_new) ) PA(nn) = max( 0., min( 10., PA(nn) ))*light*(dtfact/ppbfact) endif c c --- Convert to ppb/hr c Do n = 1,nn PA(n) = ppbfact*PA(n) End do c c --- Set num of outputs on first dummy call from pasetup c npa_init = nn c return end