!---------------------------------------------------------------------------- ! CHAMBER DEPENDENT REACTIONS, WITHOUT ADJUSTABLE RADICAL SOURCE ! ! Version 11/96a ! ! Last Updated by WPC 11/18/96 ! ! Similar to standard SAPRC-90 version except that option to ! represent both radical source and NOx offgasing as HONO offgasing ! is added. ! ! Default: No wall effects ! ! Files Required: ! ! NOXAIR.RXN ! ! Coefficients and Rate Constants Used to Define Chamber Effects: ! ! RS-I ... (Coefficient.) Intersept of the "radical ! source" regression of OH input rate vs NO2. ! Ratio of Radical input rate to NO2 photolysis ! rate when NO2 not present. Default = 0. ! ! RS-I1, RS-I2, RS-I3 ... Values of RS-I at 290, 300, 310 ! ! RN-I ... (Coefficient.) Ratio of HONO input rate ! to NO2 photolysis rate. ! ! RN-I1, RN-I2, RN-I3 ... Values of RN-I at 290, 300, 310 ! ! RS-S ... (Coefficent.) Slope of the "radical source" ! regression of the ratio of OH input rate to ! the NO2 photolysis rate vs NO2. Default = 0. ! ! HONO-F ... Ratio of initial HONO to initial NO2. Default ! = 0. ! ! E-NO2/K1 ... Ratio of NO2 offgasing rate to the NO2 ! photolysis rate. Default = 0. ! ! E-ALD/K1 ... Ratio of HCHO offgasing rate to the NO2 ! photolysis rate. Default = 0. ! ! EHONO/K1 ... Ratio of HONO offgasing rate to the NO2 ! photolysis rate. Default = 0. ! ! HCHO-W ... HCHO on wall, offgased (active specie). ! (option disabled) ! ! O3W ... Ozone wall loss rate constant. ! ! HPW ... H2O2 wall loss rate constant. ! ! N25I ... Intercept of regression of N2O5 wall loss ! rate. Unimolecular loss of N2O5 to the ! walls in the absense of H2O. ! ! N25S ... Slope of regression of N2O5 wall loss ! rate. Bimolecular rate constant for ! N2O5 + H2O -> loss of N2O5 to wall. ! ! NAW ... Unimolecular rate constant for HNO3 going ! to the walls. Doesn't affect any of the ! chemistry except the HNO3 concentration. ! ! NO2W ... Unimolecular rate constant for NO2 ! wall hydrolysis and loss. ! ! YHONO ... Yield of HONO in the unimolecular reaction ! (or hydrolysis) of NO2 on the walls. Default ! = 0. ! ! XSHC ... "Excess" hydrocarbon reactivity (units of ! min-1). [HC] x k(OH+HC) for "contaminant" ! organics. Unimolecular rate constant ! converting HO to HO2. ! ! Buildup Species Used for Accounting Purposes: ! ! NOX-WALL ... NOx absorbed on walls. Used in part to keep ! track of N-balance. Can be negative if wall ! off-gasing occurs at a greater rate than NOx ! going to wall. ! ! XC ... "Lost Carbon". Used for the purpose of ! keeping track of carbon balance. In this case, ! it is reduced to make up the carbon formed if ! HCHO offgasing occurs. ! ! Dark Reactions. ! .RXN O3W) 0.0 ;O3 = HPW) 0.0 ;HO2H = N25I) 0.0 ;N2O5 = #2 NOX-WALL N25S) 0.0 ;N2O5 + H2O = #2 NOX-WALL NAW) 0.0 ;HNO3 = NOX-WALL NO2W) 0.0 ;NO2 = #YHONO HONO + #1-YHONO NOX-WALL NONO2W) 0.0 ;NO + NO2 + H2O = #2 HONO .COE YHONO 0.0 ! ! This code defines NOX-WALL as the sink for Nitrogen which does not ! appear as HONO when NO2 goes to the walls. ! .INS INIT '1-YHONO' = 1.0-'YHONO' ! ! Light Reactions .COE RS-I 0.0 RS-S 0.0 RS-I1 0.0 RS-I2 0.0 RS-I3 0.0 RS-I4 0.0 ! RN-I 0.0 RN-I1 0.0 RN-I2 0.0 RN-I3 0.0 RN-I4 0.0 .VTEMP 4 290.0, 300.0, 310.0, 320.0 .VTCO T290 1.0 0.0 0.0 0.0 T300 0.0 1.0 0.0 0.0 T310 0.0 0.0 1.0 0.0 T320 0.0 0.0 0.0 1.0 .RXN ! RSS) PF=NO2 ;NO2 + HV + #RS-S = #.5 HONO + #.5 NOX-WALL ! RS) 0.0 ;HV + #NO2 = HO. RSI) PF=NO2 ;HV + #RS-I = HO. RSI1) PF=NO2 ;HV + #T290 + #RS-I1 = HO. RSI2) PF=NO2 ;HV + #T300 + #RS-I2 = HO. RSI3) PF=NO2 ;HV + #T310 + #RS-I3 = HO. RSI4) PF=NO2 ;HV + #T320 + #RS-I4 = HO. ! RN) 0.0 ;HV + #NO2 = HONO + #-1 NOX-WALL RNI) PF=NO2 ;HV + #RN-I = HONO + #-1 NOX-WALL RNI1) PF=NO2 ;HV + #T290 + #RN-I1 = HONO + #-1 NOX-WALL RNI2) PF=NO2 ;HV + #T300 + #RN-I2 = HONO + #-1 NOX-WALL RNI3) PF=NO2 ;HV + #T310 + #RN-I3 = HONO + #-1 NOX-WALL RNI4) PF=NO2 ;HV + #T320 + #RN-I4 = HONO + #-1 NOX-WALL ! ! Wall Off-Gasing .COE E-NO2/K1 0.0 E1NO2/K1 0.0 E2NO2/K1 0.0 E3NO2/K1 0.0 E4NO2/K1 0.0 ! E-ALD/K1 0.0 EHONO/K1 0.0 .RXN ONO2) PF=NO2 ;HV + #E-NO2/K1 = NO2 + #-1 NOX-WALL 1NO2) PF=NO2 ;HV + #T290 + #E1NO2/K1 = NO2 + #-1 NOX-WALL 2NO2) PF=NO2 ;HV + #T300 + #E2NO2/K1 = NO2 + #-1 NOX-WALL 3NO2) PF=NO2 ;HV + #T310 + #E3NO2/K1 = NO2 + #-1 NOX-WALL 4NO2) PF=NO2 ;HV + #T320 + #E4NO2/K1 = NO2 + #-1 NOX-WALL ! OALD) PF=NO2 ;HV + #E-ALD/K1 = HCHO + #-1 XC OHON) PF=NO2 ;HV + #EHONO/K1 = HONO + #-1 NOX-WALL ! ! Define initial HONO as fraction of initial NO2, or as absolute HONO .COE HONO-F 0.0 HONO-I 0.0 ! ! This code multiplies the initial concentration of NO2 by HONO-F ! and adds it to the initial concentration of HONO. Subtracted ! from initial NO2 (HONO interference on NOx analyzer). ! .INS INIT "C HONO" = "C HONO" + 'HONO-I' + ("C NO2"*'HONO-F') "C NO2" = "C NO2" - ('HONO-I' + ("C NO2"*'HONO-F')) ! ! Background HC contaminants. ! .RXN XSHC) 0.0 ;HO. = HO2. ! ! Radical Wall Loss ! OHW) 0.0 ;HO. = HO2W) 0.0 ;HO2. = CO2W) 0.0 ;C-O2. = ROW2) 0.0 ;RO2-R. = ! ! END OF FILE .