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Predicting secondary aerosol formation from:. the amount of gas phase reaction of a given compound called D ROG (reactive organic gas). D ROG --> S a i product C i. D ROG. Product C i. concentration. Product C i = C gas i +C part i. time.
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Predicting secondary aerosol formation from: • the amount of gas phase reaction of a given compound called DROG (reactive organic gas) DROG --> Sai product Ci DROG Product Ci concentration Product Ci = Cgas i +Cpart i time
Jay Odum,ES&T, vol 30, p2580, 1996, started with a Gas/Particle partitioning model and tried to estimate aerosol yields based DROG, the change in reactive organic conc. • Kp i= 760 RTx10-6 fom /{Mw gi PoLi} • Kp i / fom= Kom i • Kom i = Cpart /{Cgas fom xTSP} • Kom i = Cpart /{Cgas Mo} where • fom xTSP = MoMo is the organic aerosol mass conc in mg/m3 • Historically researchers have thought in terms of aerosol yields, Y, from a given reactive hydrocarbon.
Y = DMo/ DROG 1DMo= formed aerosol mass • Kom i = Cpart /{CgasMo}2 • a DROG= product Ci 3a = proportionally const • product Ci= Cpart i+ Cgas i4 • YiDROG = Cpart i5substituting product Ci in eq 4 into eq 3 and DROG from eq 3 into eq.5 • Yi(Cpart i+ Cgas i)/ai= Cpart I 6substituting Cpart i in eq 6 into eq 2 • Kom i = Yi(Cpart i+ Cgas i)/ {aiCgasMo}8 • aiKom i = Yi(Cpart i+ Cgas i)/{CgasMo}9
aiKom, i = Yi(Cpart i+ Cgas i)/{CgasMo} 10 • Kom, i = Cpart i /{Cgas i Mo}2 rearranging eq 10 • aiKom, i = Yi(Kom, i + 1/Mo} ) 11solving for Yi What if Mo is small or Kom is high? for the entire aerosol yield Odum found that just two terms could approximate aerosol forming in a smog chamber
Jay used pairs of Mo(measured aerosol) and Y (Yields) from his chamber aerosol experiments • How do we get yields?? • He then numerically solved for a1,a2, Kom,1 and Kom,2to fithis yield and measured aerosol dataa- pinene- NOx experiments by Odum Y Mo (mg/m3)1 0.012 1 2 0.028 7 3 0.059 22 4 0.067 34 5 0.078 38 6 0.122 83 7 0.125 94