subroutine cpamech2(r, rk, dtfact, nr, pa, npa, npa_init, ldark ) use filunit use tracer use procan implicit none c c----CAMx v7Beta6 190902 c c CPAMECH2 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 = & + ( 0.150)*r( 57) ! C2O3 + HO2 = & + ( 0.150)*r( 65) ! CXO3 + HO2 = & + ( 0.150)*r(210) ! OPO3 + HO2 = & - r( 3) ! O3 + NO = & - r( 7) ! O + O3 = & - r( 8) ! O3 = & - r( 9) ! O3 = & - r( 12) ! O3 + OH = & - r( 13) ! O3 + HO2 = & - r( 26) ! NO2 + O3 = & - r( 34) ! NO3 + O3 = & - r(139) ! ETH + O3 = & - r(143) ! OLE + O3 = & - r(147) ! IOLE + O3 = & - r(156) ! ISOP + O3 = & - r(159) ! ISPD + O3 = & - r(173) ! TERP + O3 = & - r(199) ! XOPN + O3 = & - r(203) ! OPEN + 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( 19) + r( 20) NO2wOH = + r( 45) 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( 25) ! HO2 + NO = & + r( 33) ! NO3 + HO2 = c HO2_loss = & + r( 13) ! O3 + HO2 = & + r( 15) ! HO2 + O = & + r( 18) ! OH + HO2 = & + ( 2.000)*r( 19) ! HO2 + HO2 = & + ( 2.000)*r( 20) ! HO2 + HO2 + H2O = & + r( 25) ! HO2 + NO = & + r( 33) ! NO3 + HO2 = & + r( 57) ! C2O3 + HO2 = & + r( 65) ! CXO3 + HO2 = & + r( 72) ! MEO2 + HO2 = & + r( 76) ! XO2H + HO2 = & + r( 80) ! XO2 + HO2 = & + r( 84) ! XO2N + HO2 = & + r(101) ! FORM + HO2 = & + ( 0.800)*r(104) ! HCO3 + HO2 = & + ( 0.880)*r(152) ! ISO2 + HO2 = & + ( 0.175)*r(166) ! EPX2 + HO2 = & + r(178) ! BZO2 + HO2 = & + r(183) ! TO2 + HO2 = & + r(187) ! XLO2 + HO2 = & + r(193) ! CRO + HO2 = & + r(210) ! OPO3 + 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(139) ! ETH + O3 = & - r(143) ! OLE + O3 = & - r(147) ! IOLE + O3 = & - r(156) ! ISOP + O3 = & - r(159) ! ISPD + O3 = & - r(173) ! TERP + O3 = c c + O(3P) + VOC c PA(nn) = PA(nn) & - r( 99) ! FORM + O = & - r(105) ! ALD2 + O = & - r(109) ! ALDX + O = & - r(137) ! ETH + O = & - r(141) ! OLE + O = & - r(145) ! IOLE + O = & - r(150) ! ISOP + O = & - r(171) ! 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( 15) ! HO2 + O = & + ( 2.000)*r( 21) ! H2O2 = & + r( 23) ! H2O2 + O = & + r( 25) ! HO2 + NO = & + r( 33) ! NO3 + HO2 = & + r( 43) ! HONO = & + r( 47) ! HNO3 = & + ( 0.410)*r( 50) ! PNA = & + ( 0.440)*r( 57) ! C2O3 + HO2 = & + ( 0.440)*r( 65) ! CXO3 + HO2 = & + r( 88) ! MEPX = & + r( 90) ! ROOH = & + r( 99) ! FORM + O = & + ( 0.200)*r(104) ! HCO3 + HO2 = & + r(105) ! ALD2 + O = & + r(109) ! ALDX + O = & + ( 0.190)*r(114) ! GLYD = & + ( 0.300)*r(137) ! ETH + O = & + ( 0.160)*r(139) ! ETH + O3 = & + ( 0.100)*r(141) ! OLE + O = & + ( 0.334)*r(143) ! OLE + O3 = & + ( 0.500)*r(147) ! IOLE + O3 = & + ( 0.120)*r(152) ! ISO2 + HO2 = & + ( 0.266)*r(156) ! ISOP + O3 = & + ( 0.461)*r(159) ! ISPD + O3 = & + r(163) ! HPLD = & + ( 1.125)*r(166) ! EPX2 + HO2 = & + ( 0.125)*r(167) ! EPX2 + NO = & + ( 0.100)*r(168) ! EPX2 + C2O3 = & + ( 0.125)*r(169) ! EPX2 + RO2 = & + ( 0.570)*r(173) ! TERP + O3 = & + ( 0.500)*r(199) ! XOPN + O3 = & + ( 0.500)*r(203) ! OPEN + O3 = & + ( 0.440)*r(210) ! OPO3 + HO2 = 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) = & + ( 0.160)*r(139) ! ETH + O3 = & + ( 0.334)*r(143) ! OLE + O3 = & + ( 0.500)*r(147) ! IOLE + O3 = & + ( 0.266)*r(156) ! ISOP + O3 = & + ( 0.461)*r(159) ! ISPD + O3 = & + ( 0.570)*r(173) ! TERP + O3 = & + ( 0.500)*r(199) ! XOPN + O3 = & + ( 0.500)*r(203) ! OPEN + 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) = & + ( 2.000)*r( 21) ! H2O2 = & + r( 43) ! HONO = & + r( 47) ! HNO3 = & + r( 88) ! MEPX = & + r( 90) ! ROOH = & + ( 0.190)*r(114) ! GLYD = & + r(163) ! HPLD = 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( 43) ! HONO = c c --- OH from HPLD c nn = nn + 1 ptname(nn) = 'newOH_HPLD' cpadesc(nn) = 'OH production rate from HPALD photolysis' cpaunit(nn) = 'ppb hr-1' PA(nn) = r(163) ! HPLD = 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( 14) ! OH + O = & + ( 2.000)*r( 16) ! OH + OH = & + ( 2.000)*r( 17) ! OH + OH = & + r( 18) ! OH + HO2 = & + r( 22) ! H2O2 + OH = & + r( 32) ! NO3 + OH = & + r( 40) ! NO + OH = & + r( 44) ! HONO + OH = & + r( 45) ! NO2 + OH = & + r( 46) ! HNO3 + OH = & + r( 51) ! PNA + OH = & + r( 52) ! SO2 + OH = & + ( 0.600)*r( 87) ! MEPX + OH = & + ( 0.600)*r( 89) ! ROOH + OH = & + r( 91) ! NTR1 + OH = & + r( 93) ! FACD + OH = & + r( 94) ! AACD + OH = & + r( 95) ! PACD + OH = & + r( 96) ! FORM + OH = & + r(106) ! ALD2 + OH = & + r(110) ! ALDX + OH = & + r(113) ! GLYD + OH = & + r(116) ! GLY + OH = & + r(121) ! MGLY + OH = & + r(122) ! H2 + OH = & + r(123) ! CO + OH = & + r(124) ! CH4 + OH = & + r(125) ! ETHA + OH = & + r(126) ! MEOH + OH = & + r(127) ! ETOH + OH = & + r(130) ! ACET + OH = & + r(131) ! PRPA + OH = & + r(132) ! PAR + OH = & + ( 0.300)*r(136) ! ETHY + OH = & + r(138) ! ETH + OH = & + r(142) ! OLE + OH = & + r(146) ! IOLE + OH = & + r(149) ! ISOP + OH = & + r(158) ! ISPD + OH = & + ( 0.067)*r(162) ! ISPX + OH = & + r(165) ! EPOX + OH = & + r(170) ! INTR + OH = & + r(172) ! TERP + OH = & + ( 0.882)*r(175) ! BENZ + OH = & + ( 0.900)*r(180) ! TOL + OH = & + ( 0.756)*r(185) ! XYL + OH = & + r(190) ! CRES + OH = & + r(194) ! CRON + OH = & + r(198) ! XOPN + OH = & + r(202) ! OPEN + OH = & + r(205) ! CAT1 + OH = & + r(213) ! OPAN + OH = & + r(214) ! PANX + OH = & + r(216) ! ECH4 + 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(123) ! CO + OH = c c --- OH with ECH4 c nn = nn + 1 ptname(nn) = 'OHwECH4' cpadesc(nn) = 'OH reaction rate with ECH4 (emitted CH4)' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r(216) ! ECH4 + OH = 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(149) ! ISOP + OH = 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( 96) ! FORM + OH = & + r(106) ! ALD2 + OH = & + r(110) ! ALDX + OH = & + r(125) ! ETHA + OH = & + r(126) ! MEOH + OH = & + r(127) ! ETOH + OH = & + r(130) ! ACET + OH = & + r(131) ! PRPA + OH = & + r(132) ! PAR + OH = & + ( 0.300)*r(136) ! ETHY + OH = & + r(138) ! ETH + OH = & + r(142) ! OLE + OH = & + r(146) ! IOLE + OH = & + r(149) ! ISOP + OH = & + r(172) ! TERP + OH = & + ( 0.882)*r(175) ! BENZ + OH = & + ( 0.900)*r(180) ! TOL + OH = & + ( 0.756)*r(185) ! XYL + 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(138) ! ETH + OH = & + r(142) ! OLE + OH = & + r(146) ! 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) = & + ( 0.882)*r(175) ! BENZ + OH = & + ( 0.900)*r(180) ! TOL + OH = & + ( 0.756)*r(185) ! XYL + OH = 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(125) ! ETHA + OH = & + r(131) ! PRPA + OH = & + r(132) ! 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) = & + r( 71) ! MEO2 + NO = & + ( 0.100)*r( 72) ! MEO2 + HO2 = & + r( 73) ! MEO2 + C2O3 = & + ( 0.685)*r( 74) ! MEO2 + RO2 = & + ( 0.400)*r( 87) ! MEPX + OH = & + r(102) ! HCO3 = & + ( 0.740)*r(114) ! GLYD = & + r(126) ! MEOH + OH = & + ( 0.078)*r(127) ! ETOH + OH = & + r(130) ! ACET + OH = & + r(137) ! ETH + O = & + ( 1.560)*r(138) ! ETH + OH = & + r(139) ! ETH + O3 = & + ( 1.125)*r(140) ! ETH + NO3 = & + ( 0.200)*r(141) ! OLE + O = & + ( 0.781)*r(142) ! OLE + OH = & + ( 0.555)*r(143) ! OLE + O3 = & + ( 0.500)*r(144) ! OLE + NO3 = & + ( 0.128)*r(147) ! IOLE + O3 = & + ( 0.500)*r(150) ! ISOP + O = & + ( 0.673)*r(151) ! ISO2 + NO = & + ( 0.120)*r(152) ! ISO2 + HO2 = & + ( 0.598)*r(153) ! ISO2 + C2O3 = & + ( 0.598)*r(154) ! ISO2 + RO2 = & + ( 0.600)*r(156) ! ISOP + O3 = & + ( 0.350)*r(157) ! ISOP + NO3 = & + ( 0.231)*r(159) ! ISPD + O3 = & + ( 0.260)*r(161) ! ISPD = & + ( 0.375)*r(166) ! EPX2 + HO2 = & + ( 0.375)*r(167) ! EPX2 + NO = & + ( 0.300)*r(168) ! EPX2 + C2O3 = & + ( 0.375)*r(169) ! EPX2 + RO2 = & + ( 0.592)*r(170) ! INTR + OH = & + ( 0.280)*r(172) ! TERP + OH = & + ( 0.240)*r(173) ! TERP + O3 = & + r(196) ! CRON = & + ( 0.080)*r(203) ! OPEN + O3 = & + ( 0.140)*r(205) ! CAT1 + OH = 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) = & + r(137) ! ETH + O = & + ( 1.560)*r(138) ! ETH + OH = & + r(139) ! ETH + O3 = & + ( 1.125)*r(140) ! ETH + NO3 = & + ( 0.200)*r(141) ! OLE + O = & + ( 0.781)*r(142) ! OLE + OH = & + ( 0.555)*r(143) ! OLE + O3 = & + ( 0.500)*r(144) ! OLE + NO3 = & + ( 0.128)*r(147) ! 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(150) ! ISOP + O = & + ( 0.600)*r(156) ! ISOP + O3 = & + ( 0.350)*r(157) ! ISOP + NO3 = & + ( 0.673)*r(151) ! ISO2 + NO = & + ( 0.120)*r(152) ! ISO2 + HO2 = & + ( 0.598)*r(153) ! ISO2 + C2O3 = & + ( 0.598)*r(154) ! ISO2 + RO2 = 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( 14) ! OH + O = & + r( 22) ! H2O2 + OH = & + r( 23) ! H2O2 + O = & + r( 32) ! NO3 + OH = & + r( 52) ! SO2 + OH = & + r( 71) ! MEO2 + NO = & + ( 0.900)*r( 73) ! MEO2 + C2O3 = & + ( 0.370)*r( 74) ! MEO2 + RO2 = & + r( 75) ! XO2H + NO = & + ( 0.800)*r( 77) ! XO2H + C2O3 = & + ( 0.600)*r( 78) ! XO2H + RO2 = & + ( 0.800)*r( 85) ! XO2N + C2O3 = & + r( 90) ! ROOH = & + r( 93) ! FACD + OH = & + r( 96) ! FORM + OH = & + ( 2.000)*r( 97) ! FORM = & + r( 99) ! FORM + O = & + r(100) ! FORM + NO3 = & + r(102) ! HCO3 = & + r(103) ! HCO3 + NO = & + r(108) ! ALD2 = & + r(112) ! ALDX = & + ( 0.200)*r(113) ! GLYD + OH = & + ( 1.400)*r(114) ! GLYD = & + r(116) ! GLY + OH = & + ( 2.000)*r(117) ! GLY = & + r(118) ! GLY + NO3 = & + r(119) ! MGLY = & + r(122) ! H2 + OH = & + r(123) ! CO + OH = & + r(126) ! MEOH + OH = & + ( 0.900)*r(127) ! ETOH + OH = & + r(134) ! ROR + O2 = & + ( 0.300)*r(136) ! ETHY + OH = & + r(137) ! ETH + O = & + ( 0.160)*r(139) ! ETH + O3 = & + ( 0.100)*r(141) ! OLE + O = & + ( 0.080)*r(143) ! OLE + O3 = & + ( 0.250)*r(150) ! ISOP + O = & + ( 0.818)*r(151) ! ISO2 + NO = & + ( 0.728)*r(153) ! ISO2 + C2O3 = & + ( 0.728)*r(154) ! ISO2 + RO2 = & + r(155) ! ISO2 = & + ( 0.066)*r(156) ! ISOP + O3 = & + ( 0.137)*r(158) ! ISPD + OH = & + ( 0.398)*r(159) ! ISPD + O3 = & + ( 0.760)*r(161) ! ISPD = & + ( 0.825)*r(167) ! EPX2 + NO = & + ( 0.660)*r(168) ! EPX2 + C2O3 = & + ( 0.825)*r(169) ! EPX2 + RO2 = & + ( 0.530)*r(175) ! BENZ + OH = & + ( 0.918)*r(176) ! BZO2 + NO = & + r(177) ! BZO2 + C2O3 = & + r(179) ! BZO2 + RO2 = & + ( 0.180)*r(180) ! TOL + OH = & + ( 0.860)*r(181) ! TO2 + NO = & + r(182) ! TO2 + C2O3 = & + r(184) ! TO2 + RO2 = & + ( 0.155)*r(185) ! XYL + OH = & + ( 0.860)*r(186) ! XLO2 + NO = & + r(188) ! XLO2 + C2O3 = & + r(189) ! XLO2 + RO2 = & + r(190) ! CRES + OH = & + r(196) ! CRON = & + ( 0.700)*r(197) ! XOPN = & + r(201) ! OPEN = & + ( 0.560)*r(203) ! OPEN + O3 = & + ( 0.200)*r(205) ! CAT1 + OH = & + ( 0.800)*r(207) ! OPO3 + NO = 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) = & + ( 0.160)*r(139) ! ETH + O3 = & + ( 0.080)*r(143) ! OLE + O3 = & + ( 0.066)*r(156) ! ISOP + O3 = & + ( 0.398)*r(159) ! ISPD + O3 = & + ( 0.560)*r(203) ! OPEN + 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( 90) ! ROOH = & + ( 2.000)*r( 97) ! FORM = & + r(102) ! HCO3 = & + r(108) ! ALD2 = & + r(112) ! ALDX = & + ( 1.400)*r(114) ! GLYD = & + ( 2.000)*r(117) ! GLY = & + r(119) ! MGLY = & + r(155) ! ISO2 = & + ( 0.760)*r(161) ! ISPD = & + r(196) ! CRON = & + ( 0.700)*r(197) ! XOPN = & + r(201) ! OPEN = 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( 97) ! 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( 6) ! O + NO2 = & + r( 26) ! NO2 + O3 = & + r( 37) ! N2O5 = & + r( 38) ! N2O5 = & + r( 46) ! HNO3 + OH = & + ( 0.410)*r( 50) ! PNA = & + ( 0.400)*r( 56) ! PAN = & + ( 0.400)*r( 64) ! PANX = & + ( 0.185)*r(170) ! INTR + OH = 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( 37) ! N2O5 = & + r( 38) ! 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( 27) ! NO3 = & + r( 28) ! NO3 = & + r( 29) ! NO3 + NO = & + r( 30) ! NO3 + NO2 = & + r( 31) ! NO3 + O = & + r( 32) ! NO3 + OH = & + r( 33) ! NO3 + HO2 = & + r( 34) ! NO3 + O3 = & + ( 2.000)*r( 35) ! NO3 + NO3 = & + r( 36) ! NO3 + NO2 = & + r(100) ! FORM + NO3 = & + r(107) ! ALD2 + NO3 = & + r(111) ! ALDX + NO3 = & + r(115) ! GLYD + NO3 = & + r(118) ! GLY + NO3 = & + r(120) ! MGLY + NO3 = & + r(140) ! ETH + NO3 = & + r(144) ! OLE + NO3 = & + r(148) ! IOLE + NO3 = & + r(157) ! ISOP + NO3 = & + r(160) ! ISPD + NO3 = & + r(164) ! HPLD + NO3 = & + r(174) ! TERP + NO3 = & + r(191) ! CRES + NO3 = & + r(195) ! CRON + NO3 = & + r(200) ! XOPN + NO3 = & + r(204) ! OPEN + NO3 = & + r(206) ! CAT1 + 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( 36) ! NO3 + NO2 = c c --- RO2 loss c nn = nn + 1 ptname(nn) = 'RO2_loss' cpadesc(nn) = 'RO2 loss' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 58) ! C2O3 + RO2 = & + ( 0.200)*r( 66) ! CXO3 + RO2 = & + r( 68) ! RO2 + NO = & + r( 69) ! RO2 + HO2 = & + ( 2.000)*r( 70) ! RO2 + RO2 = RO2_loss = PA(nn) c c --- RO2 with NO c nn = nn + 1 ptname(nn) = 'RO2wNO' cpadesc(nn) = 'RO2 reaction with NO' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 68) ! RO2 + NO = c c --- RO2 with HO2 c nn = nn + 1 ptname(nn) = 'RO2wHO2' cpadesc(nn) = 'RO2 reaction with HO2' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 69) ! RO2 + HO2 = c c --- RO2 with RO2 c nn = nn + 1 ptname(nn) = 'RO2wRO2' cpadesc(nn) = 'RO2 + RO2 self-reaction' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 2.000)*r( 70) ! RO2 + RO2 = 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) = & + ( 0.500)*r( 83) ! XO2N + NO = & + r(135) ! ROR + NO2 = & + ( 0.500)*r(140) ! ETH + NO3 = & + ( 0.500)*r(144) ! OLE + NO3 = & + ( 0.500)*r(148) ! IOLE + NO3 = & + ( 0.500)*r( 83) ! XO2N + NO = & + ( 0.650)*r(157) ! ISOP + NO3 = & + ( 0.142)*r(160) ! ISPD + NO3 = & + ( 0.530)*r(174) ! TERP + NO3 = & + ( 0.082)*r(176) ! BZO2 + NO = & + ( 0.140)*r(181) ! TO2 + NO = & + ( 0.140)*r(186) ! XLO2 + NO = & + ( 0.500)*r(200) ! XOPN + NO3 = & + ( 0.500)*r(213) ! OPAN + OH = & + ( 0.100)*r(151) ! ISO2 + NO = & + r(192) ! CRO + NO2 = ON_prod = PA(nn) c c --- INTR production c nn = nn + 1 ptname(nn) = 'INTR_prod' cpadesc(nn) = 'Total production of the species INTR' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 0.100)*r(151) ! ISO2 + NO = c c --- NTR1 production c nn = nn + 1 ptname(nn) = 'NTR1_prod' cpadesc(nn) = 'Total production of the species NTR1' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 0.500)*r( 83) ! XO2N + NO = & + r(135) ! ROR + NO2 = & + ( 0.500)*r(140) ! ETH + NO3 = & + ( 0.500)*r(144) ! OLE + NO3 = & + ( 0.500)*r(148) ! IOLE + NO3 = c c --- NTR2 production c nn = nn + 1 ptname(nn) = 'NTR2_prod' cpadesc(nn) = 'Total production of the species NTR2' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + ( 0.500)*r( 83) ! XO2N + NO = & + r( 91) ! NTR1 + OH = & + ( 0.650)*r(157) ! ISOP + NO3 = & + ( 0.142)*r(160) ! ISPD + NO3 = & + ( 0.266)*r(170) ! INTR + OH = & + ( 0.530)*r(174) ! TERP + NO3 = & + ( 0.082)*r(176) ! BZO2 + NO = & + ( 0.140)*r(181) ! TO2 + NO = & + ( 0.140)*r(186) ! XLO2 + NO = & + r(194) ! CRON + OH = & + r(195) ! CRON + NO3 = & + ( 0.500)*r(200) ! XOPN + NO3 = & + ( 0.500)*r(213) ! OPAN + OH = c c --- NTR2 production from NTR1 with OH c nn = nn + 1 ptname(nn) = 'NTR1wOH' cpadesc(nn) = 'NTR2 production from NTR1 + OH' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 91) ! NTR1 + OH = 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( 39) ! N2O5 + H2O = & + r( 45) ! NO2 + OH = & + r(100) ! FORM + NO3 = & + r(107) ! ALD2 + NO3 = & + r(111) ! ALDX + NO3 = & + r(115) ! GLYD + NO3 = & + r(118) ! GLY + NO3 = & + r(120) ! MGLY + NO3 = & + ( 0.717)*r(160) ! ISPD + NO3 = & + r(164) ! HPLD + NO3 = & + r(191) ! CRES + NO3 = & + r(195) ! CRON + NO3 = & + r(204) ! OPEN + NO3 = & + r(206) ! CAT1 + NO3 = & + r(215) ! NTR2 = 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( 39) ! N2O5 + 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( 47) ! HNO3 = & + r( 92) ! NTR1 = 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( 54) ! C2O3 + NO2 = & + r( 62) ! CXO3 + NO2 = & + r(208) ! OPO3 + NO2 = & - r( 55) ! PAN = & - r( 56) ! PAN = & - r( 63) ! PANX = & - r( 64) ! PANX = & - r(209) ! OPAN = & - r(213) ! OPAN + OH = & - r(214) ! 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(100) ! FORM + NO3 = & + r(107) ! ALD2 + NO3 = & + r(111) ! ALDX + NO3 = & + r(140) ! ETH + NO3 = & + r(144) ! OLE + NO3 = & + r(148) ! IOLE + NO3 = & + r(157) ! ISOP + NO3 = & + r(174) ! 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