diff --git a/src/atchem2.f90 b/src/atchem2.f90 index daf2d152f..496921665 100644 --- a/src/atchem2.f90 +++ b/src/atchem2.f90 @@ -225,7 +225,7 @@ end subroutine FCVFUN allocate (detailedRatesSpecies(size( detailedRatesSpeciesName ))) allocate (reacDetailedRatesSpecies(size( detailedRatesSpeciesName ), size( clhs, 2 ))) allocate (prodDetailedRatesSpecies(size( detailedRatesSpeciesName ), size( crhs, 2 ))) - invalid_reaction_frequency_pair = reaction_frequency_pair(-1_NPI, 0_NPI) + invalid_reaction_frequency_pair = reaction_frequency_pair(-1_NPI, 0_NPI, 0.0_DP) reacDetailedRatesSpecies(:,:) = invalid_reaction_frequency_pair prodDetailedRatesSpecies(:,:) = invalid_reaction_frequency_pair allocate (reacDetailedRatesSpeciesLengths(size( detailedRatesSpeciesName ))) @@ -243,8 +243,10 @@ end subroutine FCVFUN ! ! Fill the remaining elements of each row of reac/prodDetailedRatesSpecies with the ! numbers of the reactions in which that species appears as a reactant/product respectively - call findReactionsWithProductOrReactant( detailedRatesSpecies, clhs, reacDetailedRatesSpecies, reacDetailedRatesSpeciesLengths ) - call findReactionsWithProductOrReactant( detailedRatesSpecies, crhs, prodDetailedRatesSpecies, prodDetailedRatesSpeciesLengths ) + call findReactionsWithProductOrReactant( detailedRatesSpecies, clhs, clcoeff, reacDetailedRatesSpecies, & + reacDetailedRatesSpeciesLengths ) + call findReactionsWithProductOrReactant( detailedRatesSpecies, crhs, crcoeff, prodDetailedRatesSpecies, & + prodDetailedRatesSpeciesLengths ) write (*, '(A, I0)') ' Species requiring detailed rate output (number of species found): ', size( detailedRatesSpeciesName ) write (*,*) diff --git a/src/configFunctions.f90 b/src/configFunctions.f90 index b1591f154..abb3536c7 100644 --- a/src/configFunctions.f90 +++ b/src/configFunctions.f90 @@ -83,14 +83,16 @@ end function getIndexWithinList ! At the end of this function, each row of r is associated to one of ! the species in rSpecies. Each element of the row corresponds to a ! reaction in which this species appears as a product or reactant. - ! Each element consists of %reaction holding the reaction number, and + ! Each element consists of %reaction holding the reaction number, ! %frequency holding the number of occurences of that species in that - ! reaction. chs contains the product or reactant information, and + ! reaction, and %stoich holding the sum of the stoichiometric coefficients + ! for that species in that reaction. chs contains the product or reactant information, and ! arrayLen is used to keep track of how many are present in each row. - subroutine findReactionsWithProductOrReactant( rSpecies, chs, r, arrayLen ) + subroutine findReactionsWithProductOrReactant( rSpecies, chs, ccoeff, r, arrayLen ) use types_mod - integer(kind=NPI), intent(in) :: rSpecies(:), chs(:,:) + integer(kind=NPI), intent(in) :: rSpecies(:), chs(:,:) + real(kind=DP), intent(in) :: ccoeff(:) type(reaction_frequency_pair), intent(inout) :: r(:,:) integer(kind=NPI), intent(out) :: arrayLen(:) integer(kind=NPI) :: rCounter, i, j @@ -125,6 +127,7 @@ subroutine findReactionsWithProductOrReactant( rSpecies, chs, r, arrayLen ) end if r(i, rCounter)%reaction = chs(1, j) r(i, rCounter)%frequency = r(i, rCounter)%frequency + 1_NPI + r(i, rCounter)%stoich = r(i, rCounter)%stoich + ccoeff(j) end if end do arrayLen(i) = rCounter diff --git a/src/dataStructures.f90 b/src/dataStructures.f90 index 7cc425078..11e48fbd2 100644 --- a/src/dataStructures.f90 +++ b/src/dataStructures.f90 @@ -43,6 +43,9 @@ module types_mod type reaction_frequency_pair integer(kind=NPI) :: reaction integer(kind=NPI) :: frequency + ! stoich was added in Jan 2025 by Alfred Mayhew to allow proper output of rates for reactions + ! involving non-integer stoichiometry (instead of using frequency) + real(kind=DP) :: stoich end type reaction_frequency_pair interface operator (==) diff --git a/src/outputFunctions.f90 b/src/outputFunctions.f90 index cdfcf6e08..b96930869 100644 --- a/src/outputFunctions.f90 +++ b/src/outputFunctions.f90 @@ -183,10 +183,12 @@ end subroutine outputPhotolysisRates ! reaction, a string representing that reaction. pure function getReaction( speciesNames, reactionNumber ) result ( reaction ) use types_mod - use reaction_structure_mod, only : clhs, crhs + use reaction_structure_mod, only : clhs, crhs, clcoeff, crcoeff use storage_mod, only : maxSpecLength, maxReactionStringLength character(len=maxSpecLength) :: reactants(10), products(10) + character(len=4) :: reactCoeffs(10), prodCoeffs(10) + character(len=4) :: tmpCoeffStr character(len=maxSpecLength), intent(in) :: speciesNames(*) integer(kind=NPI) :: i, numReactants, numProducts integer(kind=NPI), intent(in) :: reactionNumber @@ -200,12 +202,21 @@ pure function getReaction( speciesNames, reactionNumber ) result ( reaction ) if ( clhs(1, i) == reactionNumber ) then numReactants = numReactants + 1 reactants(numReactants) = speciesNames(clhs(2, i)) + + !Store the reaction coefficient (stoichiometry) string for this reactant. If + !the coefficient is 1, then just use an empty string + if ( clcoeff(i) == 1.0 ) then + reactCoeffs(numReactants) = '' + else + write(tmpCoeffStr, '(F4.2)') clcoeff(i) + reactCoeffs(numReactants) = tmpCoeffStr + end if end if end do reactantStr = ' ' do i = 1, numReactants - reactantStr = trim( adjustl( trim( reactantStr ) // trim( reactants(i) ) ) ) + reactantStr = trim( adjustl( trim( reactantStr ) // trim( reactCoeffs(i) ) // trim( reactants(i) ) ) ) if ( i < numReactants ) then reactantStr = trim( reactantStr ) // '+' end if @@ -222,12 +233,21 @@ pure function getReaction( speciesNames, reactionNumber ) result ( reaction ) if ( crhs(1, i) == reactionNumber ) then numProducts = numProducts + 1 products(numProducts) = speciesNames(crhs(2, i)) + + !Store the reaction coefficient (stoichiometry) string for this product. If + !the coefficient is 1, then just use an empty string + if ( crcoeff(i) == 1.0 ) then + prodCoeffs(numProducts) = '' + else + write(tmpCoeffStr, '(F4.2)') crcoeff(i) + prodCoeffs(numProducts) = tmpCoeffStr + end if end if end do productStr = ' ' do i = 1, numProducts - productStr = trim( adjustl( trim( productStr ) // trim( products(i) ) ) ) + productStr = trim( adjustl( trim( productStr ) // trim( prodCoeffs(i) ) // trim( products(i) ) ) ) if ( i < numProducts ) then productStr = trim( productStr ) // '+' end if @@ -295,7 +315,7 @@ subroutine outputRates( rSpecies, r, arrayLen, t, p, flag ) write (output_file_number, '(ES15.6E3, I14, A52, I15, ES15.6E3, A, A)') t, rSpecies(i), & trim( speciesNames(rSpecies(i)) ), & r(i, j)%reaction, & - r(i, j)%frequency * p(r(i, j)%reaction), & + r(i, j)%stoich * p(r(i, j)%reaction), & ' ', trim( reaction ) end if end do diff --git a/tests/model_tests/spec_model_stoich/output/lossRates.output.cmp b/tests/model_tests/spec_model_stoich/output/lossRates.output.cmp index 2145b6ff3..6b78e5329 100644 --- a/tests/model_tests/spec_model_stoich/output/lossRates.output.cmp +++ b/tests/model_tests/spec_model_stoich/output/lossRates.output.cmp @@ -26,7 +26,7 @@ 2.700000E+004 8 OH 119 6.760915E+001 OH+GLYOX=HCOCO 2.700000E+004 8 OH 120 2.513680E-010 NO3CH2CO2H+OH=HCHO+NO2 2.700000E+004 8 OH 121 1.415844E-008 NO3CH2CO3H+OH=NO3CH2CO3 - 2.700000E+004 8 OH 123 4.351636E-007 NO3CH2PAN+OH=HCHO+CO+NO2 + 2.700000E+004 8 OH 123 4.351636E-007 NO3CH2PAN+OH=HCHO+CO+2.00NO2 2.700000E+004 8 OH 125 9.828898E-004 HOCH2CO2H+OH=HCHO+HO2 2.700000E+004 8 OH 126 5.821025E-003 HOCH2CO3H+OH=HOCH2CO3 2.700000E+004 8 OH 128 1.055280E+001 PHAN+OH=HCHO+CO+NO2 @@ -34,8 +34,8 @@ 2.700000E+004 8 OH 146 1.803774E-005 OH+HCOCO3H=HCOCO3 2.700000E+004 9 HO2 20 1.268390E+004 HO2+O3=OH 2.700000E+004 9 HO2 21 6.368545E+003 OH+HO2= - 2.700000E+004 9 HO2 22 3.815485E+002 HO2=H2O2 - 2.700000E+004 9 HO2 23 2.866109E+002 HO2=H2O2 + 2.700000E+004 9 HO2 22 7.630970E+002 2.00HO2=H2O2 + 2.700000E+004 9 HO2 23 5.732218E+002 2.00HO2=H2O2 2.700000E+004 9 HO2 27 6.034519E+006 HO2+NO=OH+NO2 2.700000E+004 9 HO2 28 5.856067E+005 HO2+NO2=HO2NO2 2.700000E+004 9 HO2 30 2.994238E+001 HO2+NO3=OH+NO2 @@ -77,7 +77,7 @@ 3.060000E+004 8 OH 119 2.181039E+002 OH+GLYOX=HCOCO 3.060000E+004 8 OH 120 1.023902E-009 NO3CH2CO2H+OH=HCHO+NO2 3.060000E+004 8 OH 121 5.615221E-008 NO3CH2CO3H+OH=NO3CH2CO3 - 3.060000E+004 8 OH 123 1.258990E-006 NO3CH2PAN+OH=HCHO+CO+NO2 + 3.060000E+004 8 OH 123 1.258990E-006 NO3CH2PAN+OH=HCHO+CO+2.00NO2 3.060000E+004 8 OH 125 4.620817E-003 HOCH2CO2H+OH=HCHO+HO2 3.060000E+004 8 OH 126 2.671011E-002 HOCH2CO3H+OH=HOCH2CO3 3.060000E+004 8 OH 128 3.599271E+001 PHAN+OH=HCHO+CO+NO2 @@ -85,8 +85,8 @@ 3.060000E+004 8 OH 146 1.471978E-004 OH+HCOCO3H=HCOCO3 3.060000E+004 9 HO2 20 1.380297E+004 HO2+O3=OH 3.060000E+004 9 HO2 21 6.512700E+003 OH+HO2= - 3.060000E+004 9 HO2 22 4.425563E+002 HO2=H2O2 - 3.060000E+004 9 HO2 23 3.324386E+002 HO2=H2O2 + 3.060000E+004 9 HO2 22 8.851126E+002 2.00HO2=H2O2 + 3.060000E+004 9 HO2 23 6.648773E+002 2.00HO2=H2O2 3.060000E+004 9 HO2 27 5.726036E+006 HO2+NO=OH+NO2 3.060000E+004 9 HO2 28 5.844159E+005 HO2+NO2=HO2NO2 3.060000E+004 9 HO2 30 3.420724E+001 HO2+NO3=OH+NO2 @@ -128,7 +128,7 @@ 3.420000E+004 8 OH 119 2.684661E+002 OH+GLYOX=HCOCO 3.420000E+004 8 OH 120 1.567411E-009 NO3CH2CO2H+OH=HCHO+NO2 3.420000E+004 8 OH 121 8.389048E-008 NO3CH2CO3H+OH=NO3CH2CO3 - 3.420000E+004 8 OH 123 1.539335E-006 NO3CH2PAN+OH=HCHO+CO+NO2 + 3.420000E+004 8 OH 123 1.539335E-006 NO3CH2PAN+OH=HCHO+CO+2.00NO2 3.420000E+004 8 OH 125 7.349286E-003 HOCH2CO2H+OH=HCHO+HO2 3.420000E+004 8 OH 126 4.151241E-002 HOCH2CO3H+OH=HOCH2CO3 3.420000E+004 8 OH 128 4.648277E+001 PHAN+OH=HCHO+CO+NO2 @@ -136,8 +136,8 @@ 3.420000E+004 8 OH 146 2.761534E-004 OH+HCOCO3H=HCOCO3 3.420000E+004 9 HO2 20 1.214781E+004 HO2+O3=OH 3.420000E+004 9 HO2 21 4.333303E+003 OH+HO2= - 3.420000E+004 9 HO2 22 3.373824E+002 HO2=H2O2 - 3.420000E+004 9 HO2 23 2.534343E+002 HO2=H2O2 + 3.420000E+004 9 HO2 22 6.747648E+002 2.00HO2=H2O2 + 3.420000E+004 9 HO2 23 5.068686E+002 2.00HO2=H2O2 3.420000E+004 9 HO2 27 4.357710E+006 HO2+NO=OH+NO2 3.420000E+004 9 HO2 28 4.885259E+005 HO2+NO2=HO2NO2 3.420000E+004 9 HO2 30 3.279702E+001 HO2+NO3=OH+NO2 @@ -179,7 +179,7 @@ 3.780000E+004 8 OH 119 1.719544E+002 OH+GLYOX=HCOCO 3.780000E+004 8 OH 120 1.200443E-009 NO3CH2CO2H+OH=HCHO+NO2 3.780000E+004 8 OH 121 6.299354E-008 NO3CH2CO3H+OH=NO3CH2CO3 - 3.780000E+004 8 OH 123 1.025164E-006 NO3CH2PAN+OH=HCHO+CO+NO2 + 3.780000E+004 8 OH 123 1.025164E-006 NO3CH2PAN+OH=HCHO+CO+2.00NO2 3.780000E+004 8 OH 125 5.562135E-003 HOCH2CO2H+OH=HCHO+HO2 3.780000E+004 8 OH 126 3.078390E-002 HOCH2CO3H+OH=HOCH2CO3 3.780000E+004 8 OH 128 3.049223E+001 PHAN+OH=HCHO+CO+NO2 @@ -187,8 +187,8 @@ 3.780000E+004 8 OH 146 2.057254E-004 OH+HCOCO3H=HCOCO3 3.780000E+004 9 HO2 20 7.849724E+003 HO2+O3=OH 3.780000E+004 9 HO2 21 1.543211E+003 OH+HO2= - 3.780000E+004 9 HO2 22 1.404535E+002 HO2=H2O2 - 3.780000E+004 9 HO2 23 1.055056E+002 HO2=H2O2 + 3.780000E+004 9 HO2 22 2.809071E+002 2.00HO2=H2O2 + 3.780000E+004 9 HO2 23 2.110113E+002 2.00HO2=H2O2 3.780000E+004 9 HO2 27 2.407465E+006 HO2+NO=OH+NO2 3.780000E+004 9 HO2 28 3.189421E+005 HO2+NO2=HO2NO2 3.780000E+004 9 HO2 30 2.468012E+001 HO2+NO3=OH+NO2 @@ -230,7 +230,7 @@ 4.140000E+004 8 OH 119 4.948703E+001 OH+GLYOX=HCOCO 4.140000E+004 8 OH 120 3.998466E-010 NO3CH2CO2H+OH=HCHO+NO2 4.140000E+004 8 OH 121 2.071036E-008 NO3CH2CO3H+OH=NO3CH2CO3 - 4.140000E+004 8 OH 123 3.060416E-007 NO3CH2PAN+OH=HCHO+CO+NO2 + 4.140000E+004 8 OH 123 3.060416E-007 NO3CH2PAN+OH=HCHO+CO+2.00NO2 4.140000E+004 8 OH 125 1.819136E-003 HOCH2CO2H+OH=HCHO+HO2 4.140000E+004 8 OH 126 9.925377E-003 HOCH2CO3H+OH=HOCH2CO3 4.140000E+004 8 OH 128 8.623094E+000 PHAN+OH=HCHO+CO+NO2 @@ -238,8 +238,8 @@ 4.140000E+004 8 OH 146 6.241976E-005 OH+HCOCO3H=HCOCO3 4.140000E+004 9 HO2 20 3.015445E+003 HO2+O3=OH 4.140000E+004 9 HO2 21 1.785062E+002 OH+HO2= - 4.140000E+004 9 HO2 22 2.114214E+001 HO2=H2O2 - 4.140000E+004 9 HO2 23 1.588152E+001 HO2=H2O2 + 4.140000E+004 9 HO2 22 4.228429E+001 2.00HO2=H2O2 + 4.140000E+004 9 HO2 23 3.176303E+001 2.00HO2=H2O2 4.140000E+004 9 HO2 27 7.243323E+005 HO2+NO=OH+NO2 4.140000E+004 9 HO2 28 1.367746E+005 HO2+NO2=HO2NO2 4.140000E+004 9 HO2 30 1.327225E+001 HO2+NO3=OH+NO2 @@ -281,7 +281,7 @@ 4.500000E+004 8 OH 119 1.975886E+000 OH+GLYOX=HCOCO 4.500000E+004 8 OH 120 1.772072E-011 NO3CH2CO2H+OH=HCHO+NO2 4.500000E+004 8 OH 121 9.138267E-010 NO3CH2CO3H+OH=NO3CH2CO3 - 4.500000E+004 8 OH 123 1.199847E-008 NO3CH2PAN+OH=HCHO+CO+NO2 + 4.500000E+004 8 OH 123 1.199847E-008 NO3CH2PAN+OH=HCHO+CO+2.00NO2 4.500000E+004 8 OH 125 8.026569E-005 HOCH2CO2H+OH=HCHO+HO2 4.500000E+004 8 OH 126 4.358670E-004 HOCH2CO3H+OH=HOCH2CO3 4.500000E+004 8 OH 128 3.244875E-001 PHAN+OH=HCHO+CO+NO2 @@ -289,8 +289,8 @@ 4.500000E+004 8 OH 146 2.665503E-006 OH+HCOCO3H=HCOCO3 4.500000E+004 9 HO2 20 4.137510E+002 HO2+O3=OH 4.500000E+004 9 HO2 21 1.104331E+000 OH+HO2= - 4.500000E+004 9 HO2 22 4.278650E-001 HO2=H2O2 - 4.500000E+004 9 HO2 23 3.214029E-001 HO2=H2O2 + 4.500000E+004 9 HO2 22 8.557300E-001 2.00HO2=H2O2 + 4.500000E+004 9 HO2 23 6.428057E-001 2.00HO2=H2O2 4.500000E+004 9 HO2 27 3.288187E+004 HO2+NO=OH+NO2 4.500000E+004 9 HO2 28 2.543261E+004 HO2+NO2=HO2NO2 4.500000E+004 9 HO2 30 6.852786E+000 HO2+NO3=OH+NO2 @@ -332,7 +332,7 @@ 4.860000E+004 8 OH 119 3.057042E-002 OH+GLYOX=HCOCO 4.860000E+004 8 OH 120 2.804122E-013 NO3CH2CO2H+OH=HCHO+NO2 4.860000E+004 8 OH 121 1.443462E-011 NO3CH2CO3H+OH=NO3CH2CO3 - 4.860000E+004 8 OH 123 3.724181E-010 NO3CH2PAN+OH=HCHO+CO+NO2 + 4.860000E+004 8 OH 123 3.724181E-010 NO3CH2PAN+OH=HCHO+CO+2.00NO2 4.860000E+004 8 OH 125 1.258404E-006 HOCH2CO2H+OH=HCHO+HO2 4.860000E+004 8 OH 126 6.831518E-006 HOCH2CO3H+OH=HOCH2CO3 4.860000E+004 8 OH 128 5.114451E-003 PHAN+OH=HCHO+CO+NO2 @@ -340,8 +340,8 @@ 4.860000E+004 8 OH 146 4.163094E-008 OH+HCOCO3H=HCOCO3 4.860000E+004 9 HO2 20 3.073262E+002 HO2+O3=OH 4.860000E+004 9 HO2 21 1.313926E-002 OH+HO2= - 4.860000E+004 9 HO2 22 2.481974E-001 HO2=H2O2 - 4.860000E+004 9 HO2 23 1.864405E-001 HO2=H2O2 + 4.860000E+004 9 HO2 22 4.963949E-001 2.00HO2=H2O2 + 4.860000E+004 9 HO2 23 3.728810E-001 2.00HO2=H2O2 4.860000E+004 9 HO2 27 2.745674E+000 HO2+NO=OH+NO2 4.860000E+004 9 HO2 28 1.992044E+004 HO2+NO2=HO2NO2 4.860000E+004 9 HO2 30 4.341953E+002 HO2+NO3=OH+NO2 diff --git a/tests/model_tests/spec_model_stoich/output/productionRates.output.cmp b/tests/model_tests/spec_model_stoich/output/productionRates.output.cmp index f43b78724..ebf94c064 100644 --- a/tests/model_tests/spec_model_stoich/output/productionRates.output.cmp +++ b/tests/model_tests/spec_model_stoich/output/productionRates.output.cmp @@ -3,7 +3,7 @@ 2.700000E+004 8 OH 20 1.268390E+004 HO2+O3=OH 2.700000E+004 8 OH 27 6.034519E+006 HO2+NO=OH+NO2 2.700000E+004 8 OH 30 2.994238E+001 HO2+NO3=OH+NO2 - 2.700000E+004 8 OH 41 2.050463E+001 H2O2=OH + 2.700000E+004 8 OH 41 4.100926E+001 H2O2=2.00OH 2.700000E+004 8 OH 45 3.323672E+006 HONO=OH+NO 2.700000E+004 8 OH 46 8.259177E+003 HNO3=OH+NO2 2.700000E+004 8 OH 64 2.532344E+002 CH2OOA=HO2+CO+OH @@ -26,33 +26,33 @@ 2.700000E+004 9 HO2 26 7.421909E+001 OH+NO3=HO2+NO2 2.700000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 2.700000E+004 9 HO2 48 5.847003E+005 HO2NO2=HO2+NO2 - 2.700000E+004 9 HO2 58 1.308701E+004 HCHO=CO+HO2 + 2.700000E+004 9 HO2 58 2.617403E+004 HCHO=CO+2.00HO2 2.700000E+004 9 HO2 60 1.595815E-001 NO3+HCHO=HNO3+CO+HO2 2.700000E+004 9 HO2 61 1.871643E+004 OH+HCHO=HO2+CO 2.700000E+004 9 HO2 64 2.532344E+002 CH2OOA=HO2+CO+OH 2.700000E+004 9 HO2 76 2.465018E-001 ETHENO3O=NO3CH2CHO+HO2 - 2.700000E+004 9 HO2 90 7.282384E+004 HOCH2CH2O=HO2+HCHO + 2.700000E+004 9 HO2 90 7.282384E+004 HOCH2CH2O=HO2+2.00HCHO 2.700000E+004 9 HO2 91 2.835469E+004 HOCH2CH2O=HO2+HOCH2CHO 2.700000E+004 9 HO2 92 2.093588E-003 ETHGLY+OH=HOCH2CHO+HO2 2.700000E+004 9 HO2 94 8.972810E+002 HOCH2CHO+OH=GLYOX+HO2 - 2.700000E+004 9 HO2 96 1.642445E+003 HOCH2CHO=HO2+HCHO+CO + 2.700000E+004 9 HO2 96 3.284891E+003 HOCH2CHO=2.00HO2+HCHO+CO 2.700000E+004 9 HO2 105 9.567375E-002 HCOCH2O=HCHO+CO+HO2 2.700000E+004 9 HO2 106 4.150774E+000 HCOOH+OH=HO2 2.700000E+004 9 HO2 107 1.366482E-001 HOCH2CO3+HO2=HO2+HCHO+OH 2.700000E+004 9 HO2 110 2.561593E+003 HOCH2CO3+NO=NO2+HO2+HCHO 2.700000E+004 9 HO2 112 5.461681E-003 HOCH2CO3+NO3=NO2+HO2+HCHO 2.700000E+004 9 HO2 113 2.316194E-003 HOCH2CO3=HCHO+HO2 - 2.700000E+004 9 HO2 116 3.491961E+001 GLYOX=CO+HO2 + 2.700000E+004 9 HO2 116 6.983923E+001 GLYOX=2.00CO+2.00HO2 2.700000E+004 9 HO2 125 9.828898E-004 HOCH2CO2H+OH=HCHO+HO2 2.700000E+004 9 HO2 127 1.005188E-003 HOCH2CO3H=HCHO+HO2+OH - 2.700000E+004 9 HO2 130 7.853106E+000 HCOCO=CO+HO2 - 2.700000E+004 9 HO2 131 1.419167E+001 HCOCO=CO+HO2 + 2.700000E+004 9 HO2 130 7.853106E+000 HCOCO=2.00CO+HO2 + 2.700000E+004 9 HO2 131 1.419167E+001 HCOCO=2.00CO+HO2 2.700000E+004 9 HO2 136 2.441467E-004 HCOCO3+HO2=HO2+CO+OH 2.700000E+004 9 HO2 137 4.576750E+000 HCOCO3+NO=HO2+CO+NO2 2.700000E+004 9 HO2 138 2.312073E+000 HCOCO3+NO2=HO2+CO+NO3 2.700000E+004 9 HO2 139 9.758284E-006 HCOCO3+NO3=HO2+CO+NO2 2.700000E+004 9 HO2 140 4.138300E-006 HCOCO3=CO+HO2 - 2.700000E+004 9 HO2 142 9.418308E-006 HCOCO2H=HO2+CO + 2.700000E+004 9 HO2 142 1.883662E-005 HCOCO2H=2.00HO2+CO 2.700000E+004 9 HO2 143 4.949233E-006 OH+HCOCO2H=CO+HO2 2.700000E+004 9 HO2 144 1.220292E-006 HCOCO3H=HO2+CO+OH 2.700000E+004 9 HO2 145 4.179435E-006 HCOCO3H=HO2+CO+OH @@ -60,7 +60,7 @@ 3.060000E+004 8 OH 20 1.380297E+004 HO2+O3=OH 3.060000E+004 8 OH 27 5.726036E+006 HO2+NO=OH+NO2 3.060000E+004 8 OH 30 3.420724E+001 HO2+NO3=OH+NO2 - 3.060000E+004 8 OH 41 4.266174E+001 H2O2=OH + 3.060000E+004 8 OH 41 8.532349E+001 H2O2=2.00OH 3.060000E+004 8 OH 45 2.869911E+006 HONO=OH+NO 3.060000E+004 8 OH 46 1.482368E+004 HNO3=OH+NO2 3.060000E+004 8 OH 64 2.195287E+002 CH2OOA=HO2+CO+OH @@ -83,33 +83,33 @@ 3.060000E+004 9 HO2 26 7.475658E+001 OH+NO3=HO2+NO2 3.060000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 3.060000E+004 9 HO2 48 5.845739E+005 HO2NO2=HO2+NO2 - 3.060000E+004 9 HO2 58 1.966925E+004 HCHO=CO+HO2 + 3.060000E+004 9 HO2 58 3.933849E+004 HCHO=CO+2.00HO2 3.060000E+004 9 HO2 60 2.772413E-001 NO3+HCHO=HNO3+CO+HO2 3.060000E+004 9 HO2 61 2.910632E+004 OH+HCHO=HO2+CO 3.060000E+004 9 HO2 64 2.195287E+002 CH2OOA=HO2+CO+OH 3.060000E+004 9 HO2 76 2.241703E-001 ETHENO3O=NO3CH2CHO+HO2 - 3.060000E+004 9 HO2 90 5.868637E+004 HOCH2CH2O=HO2+HCHO + 3.060000E+004 9 HO2 90 5.868637E+004 HOCH2CH2O=HO2+2.00HCHO 3.060000E+004 9 HO2 91 2.285013E+004 HOCH2CH2O=HO2+HOCH2CHO 3.060000E+004 9 HO2 92 3.860583E-003 ETHGLY+OH=HOCH2CHO+HO2 3.060000E+004 9 HO2 94 1.488032E+003 HOCH2CHO+OH=GLYOX+HO2 - 3.060000E+004 9 HO2 96 2.627071E+003 HOCH2CHO=HO2+HCHO+CO + 3.060000E+004 9 HO2 96 5.254142E+003 HOCH2CHO=2.00HO2+HCHO+CO 3.060000E+004 9 HO2 105 1.289137E-001 HCOCH2O=HCHO+CO+HO2 3.060000E+004 9 HO2 106 7.297522E+000 HCOOH+OH=HO2 3.060000E+004 9 HO2 107 2.943922E-001 HOCH2CO3+HO2=HO2+HCHO+OH 3.060000E+004 9 HO2 110 4.514663E+003 HOCH2CO3+NO=NO2+HO2+HCHO 3.060000E+004 9 HO2 112 1.158942E-002 HOCH2CO3+NO3=NO2+HO2+HCHO 3.060000E+004 9 HO2 113 4.340314E-003 HOCH2CO3=HCHO+HO2 - 3.060000E+004 9 HO2 116 1.102072E+002 GLYOX=CO+HO2 + 3.060000E+004 9 HO2 116 2.204144E+002 GLYOX=2.00CO+2.00HO2 3.060000E+004 9 HO2 125 4.620817E-003 HOCH2CO2H+OH=HCHO+HO2 3.060000E+004 9 HO2 127 4.511419E-003 HOCH2CO3H=HCHO+HO2+OH - 3.060000E+004 9 HO2 130 2.595280E+001 HCOCO=CO+HO2 - 3.060000E+004 9 HO2 131 4.690038E+001 HCOCO=CO+HO2 + 3.060000E+004 9 HO2 130 2.595280E+001 HCOCO=2.00CO+HO2 + 3.060000E+004 9 HO2 131 4.690038E+001 HCOCO=2.00CO+HO2 3.060000E+004 9 HO2 136 9.466478E-004 HCOCO3+HO2=HO2+CO+OH 3.060000E+004 9 HO2 137 1.451735E+001 HCOCO3+NO=HO2+CO+NO2 3.060000E+004 9 HO2 138 7.713232E+000 HCOCO3+NO2=HO2+CO+NO3 3.060000E+004 9 HO2 139 3.726696E-005 HCOCO3+NO3=HO2+CO+NO2 3.060000E+004 9 HO2 140 1.395672E-005 HCOCO3=CO+HO2 - 3.060000E+004 9 HO2 142 7.373638E-005 HCOCO2H=HO2+CO + 3.060000E+004 9 HO2 142 1.474728E-004 HCOCO2H=2.00HO2+CO 3.060000E+004 9 HO2 143 3.789619E-005 OH+HCOCO2H=CO+HO2 3.060000E+004 9 HO2 144 9.740301E-006 HCOCO3H=HO2+CO+OH 3.060000E+004 9 HO2 145 3.289530E-005 HCOCO3H=HO2+CO+OH @@ -117,7 +117,7 @@ 3.420000E+004 8 OH 20 1.214781E+004 HO2+O3=OH 3.420000E+004 8 OH 27 4.357710E+006 HO2+NO=OH+NO2 3.420000E+004 8 OH 30 3.279702E+001 HO2+NO3=OH+NO2 - 3.420000E+004 8 OH 41 5.401956E+001 H2O2=OH + 3.420000E+004 8 OH 41 1.080391E+002 H2O2=2.00OH 3.420000E+004 8 OH 45 1.975593E+006 HONO=OH+NO 3.420000E+004 8 OH 46 1.609573E+004 HNO3=OH+NO2 3.420000E+004 8 OH 64 1.938389E+002 CH2OOA=HO2+CO+OH @@ -140,33 +140,33 @@ 3.420000E+004 9 HO2 26 6.255614E+001 OH+NO3=HO2+NO2 3.420000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 3.420000E+004 9 HO2 48 4.897058E+005 HO2NO2=HO2+NO2 - 3.420000E+004 9 HO2 58 1.887263E+004 HCHO=CO+HO2 + 3.420000E+004 9 HO2 58 3.774525E+004 HCHO=CO+2.00HO2 3.420000E+004 9 HO2 60 3.510699E-001 NO3+HCHO=HNO3+CO+HO2 3.420000E+004 9 HO2 61 2.557788E+004 OH+HCHO=HO2+CO 3.420000E+004 9 HO2 64 1.938389E+002 CH2OOA=HO2+CO+OH 3.420000E+004 9 HO2 76 2.158596E-001 ETHENO3O=NO3CH2CHO+HO2 - 3.420000E+004 9 HO2 90 3.999624E+004 HOCH2CH2O=HO2+HCHO + 3.420000E+004 9 HO2 90 3.999624E+004 HOCH2CH2O=HO2+2.00HCHO 3.420000E+004 9 HO2 91 1.557294E+004 HOCH2CH2O=HO2+HOCH2CHO 3.420000E+004 9 HO2 92 3.651645E-003 ETHGLY+OH=HOCH2CHO+HO2 3.420000E+004 9 HO2 94 1.386867E+003 HOCH2CHO+OH=GLYOX+HO2 - 3.420000E+004 9 HO2 96 2.663013E+003 HOCH2CHO=HO2+HCHO+CO + 3.420000E+004 9 HO2 96 5.326026E+003 HOCH2CHO=2.00HO2+HCHO+CO 3.420000E+004 9 HO2 105 1.261851E-001 HCOCH2O=HCHO+CO+HO2 3.420000E+004 9 HO2 106 7.777804E+000 HCOOH+OH=HO2 3.420000E+004 9 HO2 107 2.961294E-001 HOCH2CO3+HO2=HO2+HCHO+OH 3.420000E+004 9 HO2 110 4.533472E+003 HOCH2CO3+NO=NO2+HO2+HCHO 3.420000E+004 9 HO2 112 1.466154E-002 HOCH2CO3+NO3=NO2+HO2+HCHO 3.420000E+004 9 HO2 113 3.879180E-003 HOCH2CO3=HCHO+HO2 - 3.420000E+004 9 HO2 116 1.520079E+002 GLYOX=CO+HO2 + 3.420000E+004 9 HO2 116 3.040159E+002 GLYOX=2.00CO+2.00HO2 3.420000E+004 9 HO2 125 7.349286E-003 HOCH2CO2H+OH=HCHO+HO2 3.420000E+004 9 HO2 127 7.858630E-003 HOCH2CO3H=HCHO+HO2+OH - 3.420000E+004 9 HO2 130 3.089903E+001 HCOCO=CO+HO2 - 3.420000E+004 9 HO2 131 5.583892E+001 HCOCO=CO+HO2 + 3.420000E+004 9 HO2 130 3.089903E+001 HCOCO=2.00CO+HO2 + 3.420000E+004 9 HO2 131 5.583892E+001 HCOCO=2.00CO+HO2 3.420000E+004 9 HO2 136 1.128587E-003 HCOCO3+HO2=HO2+CO+OH 3.420000E+004 9 HO2 137 1.727764E+001 HCOCO3+NO=HO2+CO+NO2 3.420000E+004 9 HO2 138 1.008311E+001 HCOCO3+NO2=HO2+CO+NO3 3.420000E+004 9 HO2 139 5.587699E-005 HCOCO3+NO3=HO2+CO+NO2 3.420000E+004 9 HO2 140 1.478405E-005 HCOCO3=CO+HO2 - 3.420000E+004 9 HO2 142 1.564523E-004 HCOCO2H=HO2+CO + 3.420000E+004 9 HO2 142 3.129047E-004 HCOCO2H=2.00HO2+CO 3.420000E+004 9 HO2 143 6.539129E-005 OH+HCOCO2H=CO+HO2 3.420000E+004 9 HO2 144 2.048108E-005 HCOCO3H=HO2+CO+OH 3.420000E+004 9 HO2 145 6.712154E-005 HCOCO3H=HO2+CO+OH @@ -174,7 +174,7 @@ 3.780000E+004 8 OH 20 7.849724E+003 HO2+O3=OH 3.780000E+004 8 OH 27 2.407465E+006 HO2+NO=OH+NO2 3.780000E+004 8 OH 30 2.468012E+001 HO2+NO3=OH+NO2 - 3.780000E+004 8 OH 41 4.823134E+001 H2O2=OH + 3.780000E+004 8 OH 41 9.646268E+001 H2O2=2.00OH 3.780000E+004 8 OH 45 1.005325E+006 HONO=OH+NO 3.780000E+004 8 OH 46 1.206196E+004 HNO3=OH+NO2 3.780000E+004 8 OH 64 1.777591E+002 CH2OOA=HO2+CO+OH @@ -197,33 +197,33 @@ 3.780000E+004 9 HO2 26 4.026972E+001 OH+NO3=HO2+NO2 3.780000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 3.780000E+004 9 HO2 48 3.208367E+005 HO2NO2=HO2+NO2 - 3.780000E+004 9 HO2 58 1.356659E+004 HCHO=CO+HO2 + 3.780000E+004 9 HO2 58 2.713317E+004 HCHO=CO+2.00HO2 3.780000E+004 9 HO2 60 4.136990E-001 NO3+HCHO=HNO3+CO+HO2 3.780000E+004 9 HO2 61 1.426425E+004 OH+HCHO=HO2+CO 3.780000E+004 9 HO2 64 1.777591E+002 CH2OOA=HO2+CO+OH 3.780000E+004 9 HO2 76 2.301948E-001 ETHENO3O=NO3CH2CHO+HO2 - 3.780000E+004 9 HO2 90 1.932145E+004 HOCH2CH2O=HO2+HCHO + 3.780000E+004 9 HO2 90 1.932145E+004 HOCH2CH2O=HO2+2.00HCHO 3.780000E+004 9 HO2 91 7.522999E+003 HOCH2CH2O=HO2+HOCH2CHO 3.780000E+004 9 HO2 92 2.090937E-003 ETHGLY+OH=HOCH2CHO+HO2 3.780000E+004 9 HO2 94 8.191502E+002 HOCH2CHO+OH=GLYOX+HO2 - 3.780000E+004 9 HO2 96 2.016327E+003 HOCH2CHO=HO2+HCHO+CO + 3.780000E+004 9 HO2 96 4.032654E+003 HOCH2CHO=2.00HO2+HCHO+CO 3.780000E+004 9 HO2 105 1.031766E-001 HCOCH2O=HCHO+CO+HO2 3.780000E+004 9 HO2 106 5.393340E+000 HCOOH+OH=HO2 3.780000E+004 9 HO2 107 1.520589E-001 HOCH2CO3+HO2=HO2+HCHO+OH 3.780000E+004 9 HO2 110 3.089246E+003 HOCH2CO3+NO=NO2+HO2+HCHO 3.780000E+004 9 HO2 112 1.360856E-002 HOCH2CO3+NO3=NO2+HO2+HCHO 3.780000E+004 9 HO2 113 1.844276E-003 HOCH2CO3=HCHO+HO2 - 3.780000E+004 9 HO2 116 1.315865E+002 GLYOX=CO+HO2 + 3.780000E+004 9 HO2 116 2.631729E+002 GLYOX=2.00CO+2.00HO2 3.780000E+004 9 HO2 125 5.562135E-003 HOCH2CO2H+OH=HCHO+HO2 3.780000E+004 9 HO2 127 7.898781E-003 HOCH2CO3H=HCHO+HO2+OH - 3.780000E+004 9 HO2 130 2.066046E+001 HCOCO=CO+HO2 - 3.780000E+004 9 HO2 131 3.733638E+001 HCOCO=CO+HO2 + 3.780000E+004 9 HO2 130 2.066046E+001 HCOCO=2.00CO+HO2 + 3.780000E+004 9 HO2 131 3.733638E+001 HCOCO=2.00CO+HO2 3.780000E+004 9 HO2 136 5.110867E-004 HCOCO3+HO2=HO2+CO+OH 3.780000E+004 9 HO2 137 1.038330E+001 HCOCO3+NO=HO2+CO+NO2 3.780000E+004 9 HO2 138 7.160909E+000 HCOCO3+NO2=HO2+CO+NO3 3.780000E+004 9 HO2 139 4.573990E-005 HCOCO3+NO3=HO2+CO+NO2 3.780000E+004 9 HO2 140 6.198816E-006 HCOCO3=CO+HO2 - 3.780000E+004 9 HO2 142 1.625990E-004 HCOCO2H=HO2+CO + 3.780000E+004 9 HO2 142 3.251979E-004 HCOCO2H=2.00HO2+CO 3.780000E+004 9 HO2 143 4.257501E-005 OH+HCOCO2H=CO+HO2 3.780000E+004 9 HO2 144 2.068036E-005 HCOCO3H=HO2+CO+OH 3.780000E+004 9 HO2 145 6.410005E-005 HCOCO3H=HO2+CO+OH @@ -231,7 +231,7 @@ 4.140000E+004 8 OH 20 3.015445E+003 HO2+O3=OH 4.140000E+004 8 OH 27 7.243323E+005 HO2+NO=OH+NO2 4.140000E+004 8 OH 30 1.327225E+001 HO2+NO3=OH+NO2 - 4.140000E+004 8 OH 41 2.849569E+001 H2O2=OH + 4.140000E+004 8 OH 41 5.699138E+001 H2O2=2.00OH 4.140000E+004 8 OH 45 2.940651E+005 HONO=OH+NO 4.140000E+004 8 OH 46 5.360096E+003 HNO3=OH+NO2 4.140000E+004 8 OH 64 1.689435E+002 CH2OOA=HO2+CO+OH @@ -254,33 +254,33 @@ 4.140000E+004 9 HO2 26 1.664132E+001 OH+NO3=HO2+NO2 4.140000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 4.140000E+004 9 HO2 48 1.384423E+005 HO2NO2=HO2+NO2 - 4.140000E+004 9 HO2 58 6.514964E+003 HCHO=CO+HO2 + 4.140000E+004 9 HO2 58 1.302993E+004 HCHO=CO+2.00HO2 4.140000E+004 9 HO2 60 5.514377E-001 NO3+HCHO=HNO3+CO+HO2 4.140000E+004 9 HO2 61 4.089703E+003 OH+HCHO=HO2+CO 4.140000E+004 9 HO2 64 1.689435E+002 CH2OOA=HO2+CO+OH 4.140000E+004 9 HO2 76 3.058898E-001 ETHENO3O=NO3CH2CHO+HO2 - 4.140000E+004 9 HO2 90 5.326825E+003 HOCH2CH2O=HO2+HCHO + 4.140000E+004 9 HO2 90 5.326825E+003 HOCH2CH2O=HO2+2.00HCHO 4.140000E+004 9 HO2 91 2.074053E+003 HOCH2CH2O=HO2+HOCH2CHO 4.140000E+004 9 HO2 92 6.116853E-004 ETHGLY+OH=HOCH2CHO+HO2 4.140000E+004 9 HO2 94 2.472418E+002 HOCH2CHO+OH=GLYOX+HO2 - 4.140000E+004 9 HO2 96 1.014236E+003 HOCH2CHO=HO2+HCHO+CO + 4.140000E+004 9 HO2 96 2.028472E+003 HOCH2CHO=2.00HO2+HCHO+CO 4.140000E+004 9 HO2 105 6.208454E-002 HCOCH2O=HCHO+CO+HO2 4.140000E+004 9 HO2 106 1.917208E+000 HCOOH+OH=HO2 4.140000E+004 9 HO2 107 3.517449E-002 HOCH2CO3+HO2=HO2+HCHO+OH 4.140000E+004 9 HO2 110 1.428335E+003 HOCH2CO3+NO=NO2+HO2+HCHO 4.140000E+004 9 HO2 112 1.124629E-002 HOCH2CO3+NO3=NO2+HO2+HCHO 4.140000E+004 9 HO2 113 4.184190E-004 HOCH2CO3=HCHO+HO2 - 4.140000E+004 9 HO2 116 6.969201E+001 GLYOX=CO+HO2 + 4.140000E+004 9 HO2 116 1.393840E+002 GLYOX=2.00CO+2.00HO2 4.140000E+004 9 HO2 125 1.819136E-003 HOCH2CO2H+OH=HCHO+HO2 4.140000E+004 9 HO2 127 4.757096E-003 HOCH2CO3H=HCHO+HO2+OH - 4.140000E+004 9 HO2 130 6.135713E+000 HCOCO=CO+HO2 - 4.140000E+004 9 HO2 131 1.108810E+001 HCOCO=CO+HO2 + 4.140000E+004 9 HO2 130 6.135713E+000 HCOCO=2.00CO+HO2 + 4.140000E+004 9 HO2 131 1.108810E+001 HCOCO=2.00CO+HO2 4.140000E+004 9 HO2 136 6.274122E-005 HCOCO3+HO2=HO2+CO+OH 4.140000E+004 9 HO2 137 2.547741E+000 HCOCO3+NO=HO2+CO+NO2 4.140000E+004 9 HO2 138 2.504400E+000 HCOCO3+NO2=HO2+CO+NO3 4.140000E+004 9 HO2 139 2.006016E-005 HCOCO3+NO3=HO2+CO+NO2 4.140000E+004 9 HO2 140 7.463396E-007 HCOCO3=CO+HO2 - 4.140000E+004 9 HO2 142 1.023091E-004 HCOCO2H=HO2+CO + 4.140000E+004 9 HO2 142 2.046182E-004 HCOCO2H=2.00HO2+CO 4.140000E+004 9 HO2 143 1.058223E-005 OH+HCOCO2H=CO+HO2 4.140000E+004 9 HO2 144 1.172062E-005 HCOCO3H=HO2+CO+OH 4.140000E+004 9 HO2 145 3.241247E-005 HCOCO3H=HO2+CO+OH @@ -288,7 +288,7 @@ 4.500000E+004 8 OH 20 4.137510E+002 HO2+O3=OH 4.500000E+004 8 OH 27 3.288187E+004 HO2+NO=OH+NO2 4.500000E+004 8 OH 30 6.852786E+000 HO2+NO3=OH+NO2 - 4.500000E+004 8 OH 41 3.748952E+000 H2O2=OH + 4.500000E+004 8 OH 41 7.497903E+000 H2O2=2.00OH 4.500000E+004 8 OH 45 2.016773E+004 HONO=OH+NO 4.500000E+004 8 OH 46 3.461632E+002 HNO3=OH+NO2 4.500000E+004 8 OH 64 1.612858E+002 CH2OOA=HO2+CO+OH @@ -311,33 +311,33 @@ 4.500000E+004 9 HO2 26 2.626629E+000 OH+NO3=HO2+NO2 4.500000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 4.500000E+004 9 HO2 48 2.599987E+004 HO2NO2=HO2+NO2 - 4.500000E+004 9 HO2 58 5.363079E+002 HCHO=CO+HO2 + 4.500000E+004 9 HO2 58 1.072616E+003 HCHO=CO+2.00HO2 4.500000E+004 9 HO2 60 1.952745E+000 NO3+HCHO=HNO3+CO+HO2 4.500000E+004 9 HO2 61 1.735258E+002 OH+HCHO=HO2+CO 4.500000E+004 9 HO2 64 1.612858E+002 CH2OOA=HO2+CO+OH 4.500000E+004 9 HO2 76 1.082220E+000 ETHENO3O=NO3CH2CHO+HO2 - 4.500000E+004 9 HO2 90 2.483535E+002 HOCH2CH2O=HO2+HCHO + 4.500000E+004 9 HO2 90 2.483535E+002 HOCH2CH2O=HO2+2.00HCHO 4.500000E+004 9 HO2 91 9.669894E+001 HOCH2CH2O=HO2+HOCH2CHO 4.500000E+004 9 HO2 92 2.637669E-005 ETHGLY+OH=HOCH2CHO+HO2 4.500000E+004 9 HO2 94 1.072816E+001 HOCH2CHO+OH=GLYOX+HO2 - 4.500000E+004 9 HO2 96 8.776740E+001 HOCH2CHO=HO2+HCHO+CO + 4.500000E+004 9 HO2 96 1.755348E+002 HOCH2CHO=2.00HO2+HCHO+CO 4.500000E+004 9 HO2 105 7.715840E-003 HCOCH2O=HCHO+CO+HO2 4.500000E+004 9 HO2 106 9.636251E-002 HCOOH+OH=HO2 4.500000E+004 9 HO2 107 3.580825E-003 HOCH2CO3+HO2=HO2+HCHO+OH 4.500000E+004 9 HO2 110 3.261718E+002 HOCH2CO3+NO=NO2+HO2+HCHO 4.500000E+004 9 HO2 112 2.920987E-002 HOCH2CO3+NO3=NO2+HO2+HCHO 4.500000E+004 9 HO2 113 5.386647E-005 HOCH2CO3=HCHO+HO2 - 4.500000E+004 9 HO2 116 7.416116E+000 GLYOX=CO+HO2 + 4.500000E+004 9 HO2 116 1.483223E+001 GLYOX=2.00CO+2.00HO2 4.500000E+004 9 HO2 125 8.026569E-005 HOCH2CO2H+OH=HCHO+HO2 4.500000E+004 9 HO2 127 6.269991E-004 HOCH2CO3H=HCHO+HO2+OH - 4.500000E+004 9 HO2 130 2.398647E-001 HCOCO=CO+HO2 - 4.500000E+004 9 HO2 131 4.334695E-001 HCOCO=CO+HO2 + 4.500000E+004 9 HO2 130 2.398647E-001 HCOCO=2.00CO+HO2 + 4.500000E+004 9 HO2 131 4.334695E-001 HCOCO=2.00CO+HO2 4.500000E+004 9 HO2 136 4.588513E-007 HCOCO3+HO2=HO2+CO+OH 4.500000E+004 9 HO2 137 4.179606E-002 HCOCO3+NO=HO2+CO+NO2 4.500000E+004 9 HO2 138 1.682870E-001 HCOCO3+NO2=HO2+CO+NO3 4.500000E+004 9 HO2 139 3.742989E-006 HCOCO3+NO3=HO2+CO+NO2 4.500000E+004 9 HO2 140 6.902516E-009 HCOCO3=CO+HO2 - 4.500000E+004 9 HO2 142 2.641835E-005 HCOCO2H=HO2+CO + 4.500000E+004 9 HO2 142 5.283670E-005 HCOCO2H=2.00HO2+CO 4.500000E+004 9 HO2 143 3.828657E-007 OH+HCOCO2H=CO+HO2 4.500000E+004 9 HO2 144 1.502193E-006 HCOCO3H=HO2+CO+OH 4.500000E+004 9 HO2 145 2.760325E-006 HCOCO3H=HO2+CO+OH @@ -345,7 +345,7 @@ 4.860000E+004 8 OH 20 3.073262E+002 HO2+O3=OH 4.860000E+004 8 OH 27 2.745674E+000 HO2+NO=OH+NO2 4.860000E+004 8 OH 30 4.341953E+002 HO2+NO3=OH+NO2 - 4.860000E+004 8 OH 41 0.000000E+000 H2O2=OH + 4.860000E+004 8 OH 41 0.000000E+000 H2O2=2.00OH 4.860000E+004 8 OH 45 0.000000E+000 HONO=OH+NO 4.860000E+004 8 OH 46 0.000000E+000 HNO3=OH+NO2 4.860000E+004 8 OH 64 1.568221E+002 CH2OOA=HO2+CO+OH @@ -368,33 +368,33 @@ 4.860000E+004 9 HO2 26 3.413481E+000 OH+NO3=HO2+NO2 4.860000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 4.860000E+004 9 HO2 48 1.983155E+004 HO2NO2=HO2+NO2 - 4.860000E+004 9 HO2 58 0.000000E+000 HCHO=CO+HO2 + 4.860000E+004 9 HO2 58 0.000000E+000 HCHO=CO+2.00HO2 4.860000E+004 9 HO2 60 1.633764E+002 NO3+HCHO=HNO3+CO+HO2 4.860000E+004 9 HO2 61 2.726222E+000 OH+HCHO=HO2+CO 4.860000E+004 9 HO2 64 1.568221E+002 CH2OOA=HO2+CO+OH 4.860000E+004 9 HO2 76 6.642920E+001 ETHENO3O=NO3CH2CHO+HO2 - 4.860000E+004 9 HO2 90 3.328281E+000 HOCH2CH2O=HO2+HCHO + 4.860000E+004 9 HO2 90 3.328281E+000 HOCH2CH2O=HO2+2.00HCHO 4.860000E+004 9 HO2 91 1.295899E+000 HOCH2CH2O=HO2+HOCH2CHO 4.860000E+004 9 HO2 92 4.129952E-007 ETHGLY+OH=HOCH2CHO+HO2 4.860000E+004 9 HO2 94 1.673441E-001 HOCH2CHO+OH=GLYOX+HO2 - 4.860000E+004 9 HO2 96 0.000000E+000 HOCH2CHO=HO2+HCHO+CO + 4.860000E+004 9 HO2 96 0.000000E+000 HOCH2CHO=2.00HO2+HCHO+CO 4.860000E+004 9 HO2 105 7.489078E-081 HCOCH2O=HCHO+CO+HO2 4.860000E+004 9 HO2 106 1.701159E-003 HCOOH+OH=HO2 4.860000E+004 9 HO2 107 3.624850E-003 HOCH2CO3+HO2=HO2+HCHO+OH 4.860000E+004 9 HO2 110 4.752861E-002 HOCH2CO3+NO=NO2+HO2+HCHO 4.860000E+004 9 HO2 112 3.229713E+000 HOCH2CO3+NO3=NO2+HO2+HCHO 4.860000E+004 9 HO2 113 1.268122E-003 HOCH2CO3=HCHO+HO2 - 4.860000E+004 9 HO2 116 0.000000E+000 GLYOX=CO+HO2 + 4.860000E+004 9 HO2 116 0.000000E+000 GLYOX=2.00CO+2.00HO2 4.860000E+004 9 HO2 125 1.258404E-006 HOCH2CO2H+OH=HCHO+HO2 4.860000E+004 9 HO2 127 0.000000E+000 HOCH2CO3H=HCHO+HO2+OH - 4.860000E+004 9 HO2 130 8.124631E-001 HCOCO=CO+HO2 - 4.860000E+004 9 HO2 131 1.468236E+000 HCOCO=CO+HO2 + 4.860000E+004 9 HO2 130 8.124631E-001 HCOCO=2.00CO+HO2 + 4.860000E+004 9 HO2 131 1.468236E+000 HCOCO=2.00CO+HO2 4.860000E+004 9 HO2 136 1.434324E-006 HCOCO3+HO2=HO2+CO+OH 4.860000E+004 9 HO2 137 1.880670E-005 HCOCO3+NO=HO2+CO+NO2 4.860000E+004 9 HO2 138 7.103025E-001 HCOCO3+NO2=HO2+CO+NO3 4.860000E+004 9 HO2 139 1.277972E-003 HCOCO3+NO3=HO2+CO+NO2 4.860000E+004 9 HO2 140 5.017859E-007 HCOCO3=CO+HO2 - 4.860000E+004 9 HO2 142 0.000000E+000 HCOCO2H=HO2+CO + 4.860000E+004 9 HO2 142 0.000000E+000 HCOCO2H=2.00HO2+CO 4.860000E+004 9 HO2 143 5.901848E-009 OH+HCOCO2H=CO+HO2 4.860000E+004 9 HO2 144 0.000000E+000 HCOCO3H=HO2+CO+OH 4.860000E+004 9 HO2 145 0.000000E+000 HCOCO3H=HO2+CO+OH diff --git a/tests/unit_tests/config_test.f90 b/tests/unit_tests/config_test.f90 index ca34d8eaf..1455ed02b 100644 --- a/tests/unit_tests/config_test.f90 +++ b/tests/unit_tests/config_test.f90 @@ -59,6 +59,7 @@ subroutine test_findReactionsWithProductOrReactant use config_functions_mod, only : findReactionsWithProductOrReactant integer(kind=NPI) :: speciesList(3), chs(2, 7), lens(3), i, j, lenAnswer(3) + real(kind=DP) :: ccoeff(7) type(reaction_frequency_pair) :: r(3, 10), rAnswer(3, 10) do i = 1, size( r, 1 ) @@ -95,7 +96,7 @@ subroutine test_findReactionsWithProductOrReactant rAnswer(3,1)%reaction = 2_NPI rAnswer(3,1)%frequency = 1_NPI - call findReactionsWithProductOrReactant(speciesList,chs,r,lens) + call findReactionsWithProductOrReactant(speciesList,chs,ccoeff,r,lens) do i = 1_NPI, size( lenAnswer ) call assert_true( lenAnswer(i) == lens(i), "test_findReactionsWithProductOrReactant length" ) enddo