subroutine cpamech5(r, rk, dtfact, nr, pa, npa, npa_init, ldark ) use filunit use tracer use procan implicit none c c----CAMx v7Beta6 190902 c c CPAMECH5 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( 18)*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) ! O3P + O2 + M = & + ( 0.300)*r( 67) ! MCO3 + HO2 = & + ( 0.250)*r( 77) ! RCO3 + HO2 = & + ( 0.250)*r( 88) ! BZC3 + HO2 = & + ( 0.250)*r(100) ! MAC3 + HO2 = & - r( 3) ! O3P + O3 = & - r( 7) ! O3 + NO = & - r( 8) ! O3 + NO2 = & - r( 18) ! O3 = & - r( 19) ! O3 = & - r( 30) ! OH + O3 = & - r( 36) ! HO2 + O3 = & - r(247) ! AFG1 + O3 = & - r(250) ! AFG2 + O3 = & - r(253) ! AFG3 + O3 = & - r(255) ! MACR + O3 = & - r(260) ! MVK + O3 = & - r(264) ! IPRD + O3 = & - r(275) ! ACRO + O3 = & - r(515) ! ETHE + O3 = & - r(519) ! PRPE + O3 = & - r(523) ! BD13 + O3 = & - r(527) ! ISOP + O3 = & - r(531) ! APIN + O3 = & - r(535) ! ACYE + O3 = & - r(549) ! OLE1 + O3 = & - r(553) ! OLE2 + O3 = & - r(559) ! TERP + O3 = & - r(563) ! SESQ + 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( 37) + r( 38) NO2wOH = + r( 25) 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( 20) ! O1D + H2O = c c + HO2 + O3 (assuming no OH recycled) c PA(nn) = PA(nn) & - r( 36) ! HO2 + O3 = c c + OH + O3 (accounting for HO2 recycled to O3 via NO2 produced) c HO2toNO2 = & + r( 31) ! HO2 + NO = & + ( 0.800)*r( 39) ! NO3 + HO2 = c HO2_loss = & + r( 31) ! HO2 + NO = & + r( 36) ! HO2 + O3 = & + ( 2.000)*r( 37) ! HO2 + HO2 = & + ( 2.000)*r( 38) ! HO2 + HO2 + H2O = & + r( 39) ! NO3 + HO2 = & + r( 43) ! OH + HO2 = & + r( 47) ! MEO2 + HO2 = & + r( 48) ! MEO2 + HO2 = & + r( 53) ! RO2C + HO2 = & + r( 58) ! RO2X + HO2 = & + r( 67) ! MCO3 + HO2 = & + r( 77) ! RCO3 + HO2 = & + r( 88) ! BZC3 + HO2 = & + r(100) ! MAC3 + HO2 = & + r(112) ! BZO + HO2 = c PA(nn) = PA(nn) - ( & + r( 30) ! OH + O3 = & ) * (HO2_loss-HO2toNO2)/(HO2_loss+10E-12) c c + O3 + VOC c PA(nn) = PA(nn) & - r(247) ! AFG1 + O3 = & - r(250) ! AFG2 + O3 = & - r(253) ! AFG3 + O3 = & - r(255) ! MACR + O3 = & - r(260) ! MVK + O3 = & - r(264) ! IPRD + O3 = & - r(275) ! ACRO + O3 = & - r(515) ! ETHE + O3 = & - r(519) ! PRPE + O3 = & - r(523) ! BD13 + O3 = & - r(527) ! ISOP + O3 = & - r(531) ! APIN + O3 = & - r(535) ! ACYE + O3 = & - r(549) ! OLE1 + O3 = & - r(553) ! OLE2 + O3 = & - r(559) ! TERP + O3 = & - r(563) ! SESQ + O3 = c c + O(3P) + VOC c PA(nn) = PA(nn) & - r(257) ! MACR + O3P = & - r(261) ! MVK + O3P = & - r(277) ! ACRO + O3P = & - r(517) ! ETHE + O3P = & - r(521) ! PRPE + O3P = & - r(525) ! BD13 + O3P = & - r(529) ! ISOP + O3P = & - r(533) ! APIN + O3P = & - r(551) ! OLE1 + O3P = & - r(555) ! OLE2 + O3P = & - r(561) ! TERP + O3P = 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( 20) ! O1D + H2O = & + r( 23) ! HONO = & + r( 28) ! HNO3 = & + r( 31) ! HO2 + NO = & + ( 0.390)*r( 34) ! PNA = & + r( 36) ! HO2 + O3 = & + ( 0.800)*r( 39) ! NO3 + HO2 = & + ( 2.000)*r( 41) ! H2O2 = & + r(124) ! XOH + NO = & + r(126) ! XOH + NO3 = & + ( 0.500)*r(127) ! XOH + MEO2 = & + ( 0.500)*r(128) ! XOH + RO2C = & + ( 0.500)*r(129) ! XOH + RO2X = & + r(130) ! XOH + MCO3 = & + r(131) ! XOH + RCO3 = & + r(132) ! XOH + BZC3 = & + r(133) ! XOH + MAC3 = & + r(223) ! COOH = & + r(225) ! ROOH = & + r(227) ! R6PX = & + r(229) ! RAPX = & + ( 0.826)*r(247) ! AFG1 + O3 = & + ( 0.826)*r(250) ! AFG2 + O3 = & + ( 0.471)*r(253) ! AFG3 + O3 = & + ( 0.208)*r(255) ! MACR + O3 = & + ( 0.330)*r(258) ! MACR = & + ( 0.164)*r(260) ! MVK + O3 = & + ( 0.285)*r(264) ! IPRD + O3 = & + ( 0.330)*r(275) ! ACRO + O3 = & + ( 0.178)*r(278) ! ACRO = & + r(280) ! CO3H = & + r(282) ! RO3H = & + ( 0.160)*r(515) ! ETHE + O3 = & + ( 0.350)*r(519) ! PRPE + O3 = & + ( 0.080)*r(523) ! BD13 + O3 = & + ( 0.266)*r(527) ! ISOP + O3 = & + ( 0.728)*r(531) ! APIN + O3 = & + ( 0.500)*r(535) ! ACYE + O3 = & + ( 0.128)*r(549) ! OLE1 + O3 = & + ( 0.443)*r(553) ! OLE2 + O3 = & + ( 0.499)*r(559) ! TERP + O3 = & + ( 0.499)*r(563) ! SESQ + 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( 20) ! 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) = & + ( 0.826)*r(247) ! AFG1 + O3 = & + ( 0.826)*r(250) ! AFG2 + O3 = & + ( 0.471)*r(253) ! AFG3 + O3 = & + ( 0.208)*r(255) ! MACR + O3 = & + ( 0.164)*r(260) ! MVK + O3 = & + ( 0.285)*r(264) ! IPRD + O3 = & + ( 0.330)*r(275) ! ACRO + O3 = & + ( 0.160)*r(515) ! ETHE + O3 = & + ( 0.350)*r(519) ! PRPE + O3 = & + ( 0.080)*r(523) ! BD13 + O3 = & + ( 0.266)*r(527) ! ISOP + O3 = & + ( 0.728)*r(531) ! APIN + O3 = & + ( 0.500)*r(535) ! ACYE + O3 = & + ( 0.128)*r(549) ! OLE1 + O3 = & + ( 0.443)*r(553) ! OLE2 + O3 = & + ( 0.499)*r(559) ! TERP + O3 = & + ( 0.499)*r(563) ! SESQ + 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( 23) ! HONO = & + r( 28) ! HNO3 = & + ( 2.000)*r( 41) ! H2O2 = & + r(223) ! COOH = & + r(225) ! ROOH = & + r(227) ! R6PX = & + r(229) ! RAPX = & + ( 0.330)*r(258) ! MACR = & + ( 0.178)*r(278) ! ACRO = & + r(280) ! CO3H = & + r(282) ! RO3H = 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( 23) ! 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( 22) ! OH + NO = & + r( 24) ! OH + HONO = & + r( 25) ! OH + NO2 = & + r( 26) ! OH + NO3 = & + r( 27) ! OH + HNO3 = & + r( 29) ! OH + CO = & + r( 30) ! OH + O3 = & + r( 35) ! PNA + OH = & + r( 42) ! H2O2 + OH = & + r( 43) ! OH + HO2 = & + r( 44) ! OH + SO2 = & + r( 45) ! OH + H2 = & + r(206) ! HCHO + OH = & + r(208) ! CCHO + OH = & + r(211) ! RCHO + OH = & + r(214) ! ACET + OH = & + r(216) ! MEK + OH = & + r(218) ! MEOH + OH = & + r(219) ! FACD + OH = & + r(220) ! AACD + OH = & + r(221) ! PACD + OH = & + ( 0.700)*r(222) ! COOH + OH = & + ( 0.256)*r(224) ! ROOH + OH = & + ( 0.160)*r(226) ! R6PX + OH = & + ( 0.861)*r(228) ! RAPX + OH = & + r(232) ! GLY + OH = & + r(235) ! MGLY + OH = & + r(238) ! CRES + OH = & + r(240) ! NPHE + OH = & + r(243) ! BALD + OH = & + r(246) ! AFG1 + OH = & + r(249) ! AFG2 + OH = & + r(252) ! AFG3 + OH = & + r(254) ! MACR + OH = & + r(259) ! MVK + OH = & + r(263) ! IPRD + OH = & + r(267) ! PRD2 + OH = & + r(269) ! RNO3 + OH = & + r(271) ! GLYD + OH = & + r(274) ! ACRO + OH = & + r(279) ! CO3H + OH = & + r(281) ! RO3H + OH = & + r(513) ! CH4 + OH = & + r(514) ! ETHE + OH = & + r(518) ! PRPE + OH = & + r(522) ! BD13 + OH = & + r(526) ! ISOP + OH = & + r(530) ! APIN + OH = & + ( 0.300)*r(534) ! ACYE + OH = & + ( 0.884)*r(536) ! BENZ + OH = & + ( 0.688)*r(537) ! TOLU + OH = & + ( 0.761)*r(538) ! MXYL + OH = & + ( 0.802)*r(539) ! OXYL + OH = & + ( 0.722)*r(540) ! PXYL + OH = & + ( 0.770)*r(541) ! B124 + OH = & + r(542) ! ETOH + OH = & + r(543) ! ALK1 + OH = & + r(544) ! ALK2 + OH = & + r(545) ! ALK3 + OH = & + r(546) ! ALK4 + OH = & + r(547) ! ALK5 + OH = & + r(548) ! OLE1 + OH = & + r(552) ! OLE2 + OH = & + ( 0.798)*r(556) ! ARO1 + OH = & + ( 0.822)*r(557) ! ARO2 + OH = & + r(558) ! TERP + OH = & + r(562) ! SESQ + 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( 29) ! 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(526) ! 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(206) ! HCHO + OH = & + r(208) ! CCHO + OH = & + r(211) ! RCHO + OH = & + r(214) ! ACET + OH = & + r(216) ! MEK + OH = & + r(218) ! MEOH + OH = & + r(514) ! ETHE + OH = & + r(518) ! PRPE + OH = & + r(522) ! BD13 + OH = & + r(526) ! ISOP + OH = & + r(530) ! APIN + OH = & + ( 0.300)*r(534) ! ACYE + OH = & + ( 0.884)*r(536) ! BENZ + OH = & + ( 0.688)*r(537) ! TOLU + OH = & + ( 0.761)*r(538) ! MXYL + OH = & + ( 0.802)*r(539) ! OXYL + OH = & + ( 0.722)*r(540) ! PXYL + OH = & + ( 0.770)*r(541) ! B124 + OH = & + r(542) ! ETOH + OH = & + r(543) ! ALK1 + OH = & + r(544) ! ALK2 + OH = & + r(545) ! ALK3 + OH = & + r(546) ! ALK4 + OH = & + r(547) ! ALK5 + OH = & + r(548) ! OLE1 + OH = & + r(552) ! OLE2 + OH = & + ( 0.798)*r(556) ! ARO1 + OH = & + ( 0.822)*r(557) ! ARO2 + OH = & + r(558) ! TERP + OH = & + r(562) ! SESQ + 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(514) ! ETHE + OH = & + r(518) ! PRPE + OH = & + r(522) ! BD13 + OH = & + r(548) ! OLE1 + OH = & + r(552) ! OLE2 + 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) = & + ( 0.884)*r(536) ! BENZ + OH = & + ( 0.688)*r(537) ! TOLU + OH = & + ( 0.761)*r(538) ! MXYL + OH = & + ( 0.802)*r(539) ! OXYL + OH = & + ( 0.722)*r(540) ! PXYL + OH = & + ( 0.770)*r(541) ! B124 + OH = & + ( 0.798)*r(556) ! ARO1 + OH = & + ( 0.822)*r(557) ! ARO2 + 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(543) ! ALK1 + OH = & + r(544) ! ALK2 + OH = & + r(545) ! ALK3 + OH = & + r(546) ! ALK4 + OH = & + r(547) ! ALK5 + 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( 46) ! MEO2 + NO = & + r( 48) ! MEO2 + HO2 = & + r( 49) ! MEO2 + NO3 = & + r( 50) ! MEO2 + MEO2 = & + ( 2.000)*r( 51) ! MEO2 + MEO2 = & + ( 0.750)*r( 55) ! RO2C + MEO2 = & + ( 0.750)*r( 60) ! RO2X + MEO2 = & + r( 69) ! MCO3 + MEO2 = & + r( 79) ! RCO3 + MEO2 = & + r( 90) ! BZC3 + MEO2 = & + ( 0.400)*r( 98) ! MPAN = & + r( 99) ! MAC3 + NO = & + r(101) ! MAC3 + NO3 = & + ( 2.000)*r(102) ! MAC3 + MEO2 = & + r(103) ! MAC3 + RO2C = & + r(104) ! MAC3 + RO2X = & + r(105) ! MAC3 + MCO3 = & + r(106) ! MAC3 + RCO3 = & + r(107) ! MAC3 + BZC3 = & + ( 2.000)*r(108) ! MAC3 + MAC3 = & + r(218) ! MEOH + OH = & + ( 0.300)*r(222) ! COOH + OH = & + r(223) ! COOH = & + r(231) ! GLY = & + ( 0.100)*r(255) ! MACR + O3 = & + ( 0.340)*r(258) ! MACR = & + ( 0.050)*r(260) ! MVK + O3 = & + ( 0.124)*r(264) ! IPRD + O3 = & + ( 0.300)*r(266) ! IPRD = & + ( 0.002)*r(267) ! PRD2 + OH = & + ( 0.074)*r(270) ! RNO3 = & + r(272) ! GLYD = & + ( 0.500)*r(275) ! ACRO + O3 = & + ( 0.340)*r(278) ! ACRO = & + r(283) ! XHCH + NO = & + r(285) ! XHCH + NO3 = & + ( 0.500)*r(286) ! XHCH + MEO2 = & + ( 0.500)*r(287) ! XHCH + RO2C = & + ( 0.500)*r(288) ! XHCH + RO2X = & + r(289) ! XHCH + MCO3 = & + r(290) ! XHCH + RCO3 = & + r(291) ! XHCH + BZC3 = & + r(292) ! XHCH + MAC3 = & + r(515) ! ETHE + O3 = & + ( 0.500)*r(519) ! PRPE + O3 = & + ( 0.500)*r(523) ! BD13 + O3 = & + ( 0.400)*r(527) ! ISOP + O3 = & + ( 0.500)*r(549) ! OLE1 + O3 = & + ( 0.131)*r(553) ! OLE2 + O3 = & + ( 0.127)*r(559) ! TERP + O3 = & + ( 0.127)*r(563) ! SESQ + 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) = & + r(515) ! ETHE + O3 = & + ( 0.500)*r(519) ! PRPE + O3 = & + ( 0.500)*r(523) ! BD13 + O3 = & + ( 0.500)*r(549) ! OLE1 + O3 = & + ( 0.131)*r(553) ! OLE2 + O3 = 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( 26) ! OH + NO3 = & + r( 29) ! OH + CO = & + r( 30) ! OH + O3 = & + r( 42) ! H2O2 + OH = & + r( 44) ! OH + SO2 = & + r( 45) ! OH + H2 = & + r( 46) ! MEO2 + NO = & + r( 49) ! MEO2 + NO3 = & + ( 2.000)*r( 51) ! MEO2 + MEO2 = & + ( 0.500)*r( 55) ! RO2C + MEO2 = & + ( 0.500)*r( 60) ! RO2X + MEO2 = & + ( 0.900)*r( 69) ! MCO3 + MEO2 = & + r( 79) ! RCO3 + MEO2 = & + r( 90) ! BZC3 + MEO2 = & + r(102) ! MAC3 + MEO2 = & + r(114) ! XHO2 + NO = & + r(116) ! XHO2 + NO3 = & + ( 0.500)*r(117) ! XHO2 + MEO2 = & + ( 0.500)*r(118) ! XHO2 + RO2C = & + ( 0.500)*r(119) ! XHO2 + RO2X = & + r(120) ! XHO2 + MCO3 = & + r(121) ! XHO2 + RCO3 = & + r(122) ! XHO2 + BZC3 = & + r(123) ! XHO2 + MAC3 = & + ( 2.000)*r(204) ! HCHO = & + r(206) ! HCHO + OH = & + r(207) ! HCHO + NO3 = & + r(209) ! CCHO = & + r(212) ! RCHO = & + r(218) ! MEOH + OH = & + r(219) ! FACD + OH = & + r(223) ! COOH = & + r(225) ! ROOH = & + ( 0.142)*r(227) ! R6PX = & + ( 0.148)*r(228) ! RAPX + OH = & + r(229) ! RAPX = & + ( 2.000)*r(230) ! GLY = & + ( 0.630)*r(232) ! GLY + OH = & + ( 0.630)*r(233) ! GLY + NO3 = & + r(234) ! MGLY = & + ( 0.522)*r(247) ! AFG1 + O3 = & + ( 1.023)*r(248) ! AFG1 = & + ( 0.522)*r(250) ! AFG2 + O3 = & + ( 0.554)*r(253) ! AFG3 + O3 = & + ( 0.108)*r(255) ! MACR + O3 = & + ( 0.670)*r(258) ! MACR = & + ( 0.064)*r(260) ! MVK + O3 = & + ( 0.400)*r(264) ! IPRD + O3 = & + ( 1.233)*r(266) ! IPRD = & + ( 0.472)*r(267) ! PRD2 + OH = & + ( 0.189)*r(269) ! RNO3 + OH = & + ( 0.344)*r(270) ! RNO3 = & + ( 2.000)*r(272) ! GLYD = & + ( 0.830)*r(275) ! ACRO + O3 = & + ( 1.066)*r(278) ! ACRO = & + r(485) ! ZRN3 + NO3 = & + ( 0.500)*r(486) ! ZRN3 + MEO2 = & + ( 0.500)*r(487) ! ZRN3 + RO2C = & + ( 0.500)*r(488) ! ZRN3 + RO2X = & + r(489) ! ZRN3 + MCO3 = & + r(490) ! ZRN3 + RCO3 = & + r(491) ! ZRN3 + BZC3 = & + r(492) ! ZRN3 + MAC3 = & + ( 0.160)*r(515) ! ETHE + O3 = & + ( 0.800)*r(517) ! ETHE + O3P = & + ( 0.165)*r(519) ! PRPE + O3 = & + ( 0.080)*r(523) ! BD13 + O3 = & + ( 0.250)*r(525) ! BD13 + O3P = & + ( 0.066)*r(527) ! ISOP + O3 = & + ( 0.009)*r(531) ! APIN + O3 = & + ( 0.300)*r(534) ! ACYE + OH = & + ( 1.500)*r(535) ! ACYE + O3 = & + ( 0.570)*r(536) ! BENZ + OH = & + ( 0.181)*r(537) ! TOLU + OH = & + ( 0.159)*r(538) ! MXYL + OH = & + ( 0.161)*r(539) ! OXYL + OH = & + ( 0.159)*r(540) ! PXYL + OH = & + ( 0.022)*r(541) ! B124 + OH = & + ( 0.950)*r(542) ! ETOH + OH = & + ( 0.095)*r(549) ! OLE1 + O3 = & + ( 0.094)*r(553) ! OLE2 + O3 = & + ( 0.123)*r(556) ! ARO1 + OH = & + ( 0.077)*r(557) ! ARO2 + OH = & + ( 0.078)*r(559) ! TERP + O3 = & + ( 0.078)*r(563) ! SESQ + O3 = 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) = & + ( 0.522)*r(247) ! AFG1 + O3 = & + ( 0.522)*r(250) ! AFG2 + O3 = & + ( 0.554)*r(253) ! AFG3 + O3 = & + ( 0.108)*r(255) ! MACR + O3 = & + ( 0.064)*r(260) ! MVK + O3 = & + ( 0.400)*r(264) ! IPRD + O3 = & + ( 0.830)*r(275) ! ACRO + O3 = & + ( 0.160)*r(515) ! ETHE + O3 = & + ( 0.165)*r(519) ! PRPE + O3 = & + ( 0.080)*r(523) ! BD13 + O3 = & + ( 0.066)*r(527) ! ISOP + O3 = & + ( 0.009)*r(531) ! APIN + O3 = & + ( 1.500)*r(535) ! ACYE + O3 = & + ( 0.095)*r(549) ! OLE1 + O3 = & + ( 0.094)*r(553) ! OLE2 + O3 = & + ( 0.078)*r(559) ! TERP + O3 = & + ( 0.078)*r(563) ! SESQ + 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) = & + ( 2.000)*r(204) ! HCHO = & + r(209) ! CCHO = & + r(212) ! RCHO = & + r(223) ! COOH = & + r(225) ! ROOH = & + ( 0.142)*r(227) ! R6PX = & + r(229) ! RAPX = & + ( 2.000)*r(230) ! GLY = & + r(234) ! MGLY = & + ( 1.023)*r(248) ! AFG1 = & + ( 0.670)*r(258) ! MACR = & + ( 1.233)*r(266) ! IPRD = & + ( 0.344)*r(270) ! RNO3 = & + ( 2.000)*r(272) ! GLYD = & + ( 1.066)*r(278) ! ACRO = 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(204) ! HCHO = 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) ! O3P + NO2 = & + r( 8) ! O3 + NO2 = & + r( 12) ! N2O5 = & + r( 27) ! OH + HNO3 = & + ( 0.390)*r( 34) ! PNA = & + ( 0.400)*r( 65) ! PAN = & + ( 0.400)*r( 75) ! PAN2 = & + ( 0.400)*r( 86) ! PBZN = & + ( 0.400)*r( 98) ! MPAN = 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( 12) ! 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( 9) ! NO + NO3 = & + r( 11) ! NO2 + NO3 = & + r( 15) ! NO2 + NO3 = & + r( 16) ! NO3 = & + r( 17) ! NO3 = & + r( 26) ! OH + NO3 = & + r( 39) ! NO3 + HO2 = & + ( 2.000)*r( 40) ! NO3 + NO3 = & + r( 49) ! MEO2 + NO3 = & + r( 54) ! RO2C + NO3 = & + r( 59) ! RO2X + NO3 = & + r( 68) ! MCO3 + NO3 = & + r( 78) ! RCO3 + NO3 = & + r( 89) ! BZC3 + NO3 = & + r(101) ! MAC3 + NO3 = & + r(207) ! HCHO + NO3 = & + r(210) ! CCHO + NO3 = & + r(213) ! RCHO + NO3 = & + r(233) ! GLY + NO3 = & + r(236) ! MGLY + NO3 = & + r(239) ! CRES + NO3 = & + r(245) ! BALD + NO3 = & + r(256) ! MACR + NO3 = & + r(265) ! IPRD + NO3 = & + r(273) ! GLYD + NO3 = & + r(276) ! ACRO + NO3 = & + r(516) ! ETHE + NO3 = & + r(520) ! PRPE + NO3 = & + r(524) ! BD13 + NO3 = & + r(528) ! ISOP + NO3 = & + r(532) ! APIN + NO3 = & + r(550) ! OLE1 + NO3 = & + r(554) ! OLE2 + NO3 = & + r(560) ! TERP + NO3 = & + r(564) ! SESQ + 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( 11) ! NO2 + NO3 = 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( 57) ! RO2X + NO = & + r(135) ! XNO2 + HO2 = & + ( 0.500)*r(137) ! XNO2 + MEO2 = & + ( 0.500)*r(138) ! XNO2 + RO2C = & + ( 0.500)*r(139) ! XNO2 + RO2X = & + ( 0.500)*r(256) ! MACR + NO3 = & + ( 0.278)*r(265) ! IPRD + NO3 = & + ( 0.002)*r(276) ! ACRO + NO3 = & + r(444) ! XRN3 + HO2 = & + ( 0.500)*r(446) ! XRN3 + MEO2 = & + ( 0.500)*r(447) ! XRN3 + RO2C = & + ( 0.500)*r(448) ! XRN3 + RO2X = & + r(516) ! ETHE + NO3 = & + r(520) ! PRPE + NO3 = & + ( 0.525)*r(524) ! BD13 + NO3 = & + ( 0.813)*r(528) ! ISOP + NO3 = & + ( 0.301)*r(532) ! APIN + NO3 = & + ( 0.226)*r(550) ! OLE1 + NO3 = & + ( 0.254)*r(554) ! OLE2 + NO3 = & + ( 0.485)*r(560) ! TERP + NO3 = & + ( 0.485)*r(564) ! SESQ + NO3 = & + r(109) ! TBUO + NO2 = & + r(443) ! XRN3 + NO = & + r(445) ! XRN3 + NO3 = & + ( 0.500)*r(446) ! XRN3 + MEO2 = & + ( 0.500)*r(447) ! XRN3 + RO2C = & + ( 0.500)*r(448) ! XRN3 + RO2X = & + r(449) ! XRN3 + MCO3 = & + r(450) ! XRN3 + RCO3 = & + r(451) ! XRN3 + BZC3 = & + r(452) ! XRN3 + MAC3 = & + r(483) ! ZRN3 + NO = & + r(111) ! BZO + NO2 = ON_prod = PA(nn) c c --- RNO3 production c nn = nn + 1 ptname(nn) = 'RNO3_prod' cpadesc(nn) = 'Total production of the species RNO3' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r(109) ! TBUO + NO2 = & + r(443) ! XRN3 + NO = & + r(445) ! XRN3 + NO3 = & + ( 0.500)*r(446) ! XRN3 + MEO2 = & + ( 0.500)*r(447) ! XRN3 + RO2C = & + ( 0.500)*r(448) ! XRN3 + RO2X = & + r(449) ! XRN3 + MCO3 = & + r(450) ! XRN3 + RCO3 = & + r(451) ! XRN3 + BZC3 = & + r(452) ! XRN3 + MAC3 = & + r(483) ! ZRN3 + NO = c c --- XN production c nn = nn + 1 ptname(nn) = 'XN_prod' cpadesc(nn) = 'Total production of the species XN' cpaunit(nn) = 'ppb hr-1' PA(nn) = & + r( 57) ! RO2X + NO = & + r(135) ! XNO2 + HO2 = & + ( 0.500)*r(137) ! XNO2 + MEO2 = & + ( 0.500)*r(138) ! XNO2 + RO2C = & + ( 0.500)*r(139) ! XNO2 + RO2X = & + r(240) ! NPHE + OH = & + r(242) ! NPHE = & + ( 0.500)*r(256) ! MACR + NO3 = & + ( 0.278)*r(265) ! IPRD + NO3 = & + ( 0.174)*r(269) ! RNO3 + OH = & + ( 0.002)*r(276) ! ACRO + NO3 = & + r(444) ! XRN3 + HO2 = & + ( 0.500)*r(446) ! XRN3 + MEO2 = & + ( 0.500)*r(447) ! XRN3 + RO2C = & + ( 0.500)*r(448) ! XRN3 + RO2X = & + r(516) ! ETHE + NO3 = & + r(520) ! PRPE + NO3 = & + ( 0.525)*r(524) ! BD13 + NO3 = & + ( 0.813)*r(528) ! ISOP + NO3 = & + ( 0.301)*r(532) ! APIN + NO3 = & + ( 0.226)*r(550) ! OLE1 + NO3 = & + ( 0.254)*r(554) ! OLE2 + NO3 = & + ( 0.485)*r(560) ! TERP + NO3 = & + ( 0.485)*r(564) ! SESQ + 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( 13) ! N2O5 + H2O = & + ( 2.000)*r( 14) ! N2O5 + H2O + H2O = & + r( 25) ! OH + NO2 = & + ( 0.200)*r( 39) ! NO3 + HO2 = & + r(207) ! HCHO + NO3 = & + r(210) ! CCHO + NO3 = & + r(213) ! RCHO + NO3 = & + r(233) ! GLY + NO3 = & + r(236) ! MGLY + NO3 = & + r(239) ! CRES + NO3 = & + r(245) ! BALD + NO3 = & + ( 0.500)*r(256) ! MACR + NO3 = & + ( 0.150)*r(265) ! IPRD + NO3 = & + r(273) ! GLYD + NO3 = & + ( 0.967)*r(276) ! ACRO + NO3 = 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( 13) ! N2O5 + H2O = & + ( 2.000)*r( 14) ! 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( 28) ! HNO3 = & + ( 0.019)*r(269) ! RNO3 + OH = & + r(270) ! RNO3 = 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( 63) ! MCO3 + NO2 = & + r( 73) ! RCO3 + NO2 = & + r( 84) ! BZC3 + NO2 = & + r( 96) ! MAC3 + NO2 = & - r( 64) ! PAN = & - r( 65) ! PAN = & - r( 74) ! PAN2 = & - r( 75) ! PAN2 = & - r( 85) ! PBZN = & - r( 86) ! PBZN = & - r( 97) ! MPAN = & - r( 98) ! MPAN = 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(207) ! HCHO + NO3 = & + r(210) ! CCHO + NO3 = & + r(213) ! RCHO + NO3 = & + r(516) ! ETHE + NO3 = & + r(520) ! PRPE + NO3 = & + r(524) ! BD13 + NO3 = & + r(528) ! ISOP + NO3 = & + r(532) ! APIN + NO3 = & + r(550) ! OLE1 + NO3 = & + r(554) ! OLE2 + NO3 = & + r(560) ! TERP + NO3 = & + r(564) ! SESQ + 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