============ Process Analysis Control Module Output Report ============ Created 4:13:43 EDT May 28, 2021 cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc Integrated Process Rate Section No requests for IPR outputs were included in the command file. cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc Integrated Reaction Rate Section The following section gives a symbolic representation of how the PARTIAL IRR outputs are calculated given the commands that were included in the command file. The report includes pseudocode showing how individual integrated reactions rates are combined to produce the requested output. In the pseudocode that follows IRR< x > = the integrated reaction rate for the reaction with label x as defined in the chemical mechanism IRROUT( n ) = the nth integrated reaction rate output that was requested cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc Summary of Input IRR Commands for OUTPUT : pH2O2 cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc The IRR_OUTPUT command was specified as follows: IRROUT( 1) = PROD [H2O2] cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc The referenced operators are defined as follows: c..Production of H2O2 PROD( 1) = & + IRR< R17> ! OH+OH=H2O2 & + IRR< R19> ! HO2+HO2=H2O2 & + IRR< R20> ! HO2+HO2+H2O=H2O2 & + 0.0400 * IRR< R143> ! OLE+O3=.295*ALD2+.555*FORM+.27*ALDX ! +.15*XO2H+.15*RO2+.334*OH+.08*HO2 ! +.378*CO+.075*GLY+.075*MGLY ! +.09*FACD+.13*AACD+.04*H2O2 ! -.79*PAR & + 0.0800 * IRR< R147> ! IOLE+O3=.732*ALD2+.442*ALDX+.128*FORM ! +.245*CO+.5*OH+.3*XO2H+.3*RO2 ! +.24*GLY+.06*MGLY+.29*PAR+.08*AAC ! +.08*H2O2 & + IRR< HG3> ! HG+H2O2=HGIIGA+H2O2 cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc Pseudocode for OUTPUT : pH2O2 cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc IRROUT( 1) = PROD( 1) cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc Summary of Input IRR Commands for OUTPUT : ± cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc The IRR_OUTPUT command was specified as follows: IRROUT( 2) = PROD [HNO3] cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc The referenced operators are defined as follows: c..Production of HNO3 PROD( 1) = & + 2.0000 * IRR< R39> ! N2O5+H2O=2*HNO3 & + IRR< R45> ! NO2+OH=HNO3 & + IRR< R100> ! FORM+NO3=HNO3+HO2+CO & + IRR< R107> ! ALD2+NO3=C2O3+HNO3 & + IRR< R111> ! ALDX+NO3=CXO3+HNO3 & + IRR< R115> ! GLYD+NO3=HNO3+C2O3 & + IRR< R118> ! GLY+NO3=HNO3+1.5*CO+.5*XO2+.5*RO2+HO2 & + IRR< R120> ! MGLY+NO3=HNO3+C2O3+XO2+RO2 & + 0.7170 * IRR< R160> ! ISPD+NO3=.717*HNO3+.142*NTR2+.142*NO2 ! +.142*XO2+.142*XO2H+.113*GLYD ! +.113*MGLY+.717*PAR+.717*CXO3 ! +.284*RO2 & + IRR< R164> ! HPLD+NO3=HNO3+ISPD & + IRR< R191> ! CRES+NO3=.3*CRO+HNO3+.48*XO2+.12*XO2H ! +.24*GLY+.24*MGLY+.48*OPO3+.1*XO2 ! +.7*RO2 & + IRR< R195> ! CRON+NO3=NTR2+.5*CRO+HNO3 & + IRR< R204> ! OPEN+NO3=OPO3+HNO3 & + IRR< R206> ! CAT1+NO3=CRO+HNO3 & + IRR ! CLNO3=HOCL+HNO3 & + IRR ! NTR2=HNO3 & + IRR ! N2O5=HNO3+H2NO3P & + IRR ! N2O5=HNO3+H2NO3P & + IRR ! H2NO3P=HNO3 & + IRR ! H2NO3P=HNO3 & + 0.5000 * IRR ! NO2=.5*HONO+.5*HNO3 cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc Pseudocode for OUTPUT : ± cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc IRROUT( 2) = PROD( 1) ========= End of Process Analysis Control Module Output Report =========