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$B:9$70z$$$?(B)$B$r(B$B?^#2(B$B$K<($7$?!#(B
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[11]$B$HGH?t$*$h$SAjBP5[<}6/EY$H$b$KNI$$(B
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$BF@$i$l$?!#(B
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III.$B#4(B. OH$B%i%8%+%k$NG;EY%l%Y%k$H$=$N29EY0MB8@-(B
25$B!n0J>e$N29EY$G$O!"(BOH$B%i%8%+%kG;EY$O(B10^{-7}ppm$B%l%Y%k$K$J$jF@$k$3$H$*$h$S29EY>e>:$H$H$b$K(B
$B:GBgG;EY$b$+$J$j9b$/$J$k$3$H$,<($5$l$?!#
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[9]$B$+$i8w2=3XH?1~$*$h$S(B
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III. $B7k2L$*$h$S9M;!(B
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ki
CH3C(O)O2NO2 $B!!(B $B"*(B CH3C(O)O2 + NO2 (i)
k-i
CH3C(O)O2 + NO2 $B"*(B CH3C(O)O2NO2 (-i)
kii
CH3C(O)O2 + NO $B"*(B CH3C(O)O + NO2 (ii)
CH3C(O)O + O2 $B"*(B CH3O2 + CO2 (iii)
CH3O2 + NO $B"*!!(B CH3O + NO2 (vi)
CH3O + O2 $B"*(B HCHO + HO2 (v)
HO2 + NO $B"*!!(B OH + NO2 (vi)
OH + NO $B"*!!(B HONO (vii)
$B!!(B OH + NO2 $B"*(B HONO2 $B!!(B (viii)
$B$7$?$,$C$F!"(BPAN 1$BJ,;R$NJ,2r$G(B3$B!A(B4$BJ,;R$N(BNO$B$,(BNO2$B$K;@2=$5$l$k!#(B
$B$3$3$G!"(B
$B!!(B -d[PAN]/dt$B!a(Bki[PAN]$B!](Bk-i[CH3C(O)O2][NO2] $B!!(B (I)
[CH3C(O)O2]$B$K$D$$$FDj>o>uBV6a;w$rE,MQ$9$k$H!"(B
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$B$H$J$j!"(BCH3C(O)O2$B$NDj>oG;EY$,
[CH3C(O)O2]$B!a(Bki[PAN]/(k-i[NO2]+kii[NO]) (II)
(I),(II)$B$h$j(B
$B!!(B -d[PAN]/dt$B!a(Bkikii[NO][PAN]/(k-i[NO2]+kii[NO])
$B$7$?$,$C$F!"(Bkikii[NO]/(k-i[NO2]+kii[NO])$B$,(BPAN$B$N8+$+$1$N0l.$5L\$NCM$H$J$k!#(BNO$B$,(BPAN$B$KBP$7$FBg2a>j$N(B
$B>r7o2<$G(BPAN$B$NJ,2rB.EY$r5a$a$l$P!"$9$J$o$A(Bk-i[NO2]$B"c(Bkii[NO]$B$,@.N)$9$kH?1~=i4|$N0l@~ItJ,$N79$-$+$i(Bki$B$NCM$r;;=P$9$k$3$H$,$G$-$k!#(B
$B!!$3$N$h$&$K$7$F
$BI=(B 1 PAN$B$N3F29EY$K$*$1$k0l
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$BH?1~29EY(B($B!n(B) ki(min-1)
$B(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(B
12 0.0033
12 0.0030
22 0.0177
22 0.0162
30 0.0548
30 0.0637
35 0.119
35 0.106
$B(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(!(B
$BI=$NCM$+$i3h@-2=%(%M%k%.!<$r;;=P$9$k$H(B27$B!^(B2kcal/mol$B$H$J$j!"(BCox$B$i$,Js9p$7$F$$$kCM(B
(24.9kcal/mol)
[3]$B$H
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$BB%?J$5$l!"%W%m%Z%s$H(BNO$B$N=iG;EYHf(B[C3H6]0/[NO]0$B$r(B0$B$+$i(B0.8$B$^$GA}2C$5$;$k$H!"(BPAN 1$BJ,;R$NJ,2r$K(B
$BH<$C$F;@2=$5$l$k(BNO$BJ,;R$N?t(B($B"$(B[NO]/$B"$(B[PAN])$B$,%W%m%Z%s$N6&B8$7$J$$;~$N(B3.7$B$+$i(B6$B$r1[$($k$^$G!"(B
$BD>@~E*$KA}2C$9$k$3$H$J$i$S$K(BPAN 1$BJ,;R$NJ,2r$KH<$C$F;@2=$5$l$k%W%m%Z%sJ,;R$N?t(B
$B!J"$(B[C3H6]/$B"$(B[PAN])$B$,(B0$B$+$i(B1.2$B$^$GHfNc$7$FA}2C$9$k$3$H$,!"9qN)4D6-8&5f=j$N%0%k!<%W$,3+H/$7$?(B
$B%W%m%Z%s(B-NOx-Air$B7O$NBg5$2=3XH?1~%b%G%k$r=$@5$7$?H?1~%b%G%k$K$h$k%7%_%e%l!<%7%g%s$N7k2L$+$i(B
$B3N$+$a$i$l$k$H$H$b$K
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$BC10L$O!"0l
' PAN DECOMPOSITION
NO + NO + O2 --> NO2 + NO2 ;r=6.7E-10 (1)
NO + NO3 --> NO2 + NO2 ;r=2.8E4 (2)
NO + OH --> HONO ;r=1.7E4 (3)
NO + HO2 --> OH + NO2 ;r=1.2E4 (4)
NO2 + NO3 --> N2O5 ;r=2.8E3 (5)
NO2 + NO3 --> NO + NO2 + O2 ;r=0.62 (6)
NO2 + OH --> HNO3 ;r=1.6E4 (7)
NO2 + HO2 --> HO2NO2 ;r=1.7E3 (8)
HO2NO2 --> HO2 + NO2 ;r=7.8 (9)
HONO + OH --> NO2 + H2O ;r=9.6E3 (10)
HNO3 + OH --> NO3 + H2O ;r=1.9E2 (11)
N2O5 --> NO2 +NO3 ;r=2.2E1 (12)
HO2 + HO2 --> H2O2 + O2 ;r=3.6E3 (13)
HO2 + HO2 + H2O --> H2O2 + O2 + H2O ;r=1.2E-1 (14)
H2O2 + OH --> HO2 + H2O ;r=1.2E3 (15)
CO + OH + (O2) --> HO2 + CO2 ;r=4.4E2 (16)
NO2 --> NO2W ;r=6.6E-4 (17)
NO2 --> HONO ;r=3.9E-5 (18)
NO2 + H2O --> HONO ;r=1.0E-8 (19)
N2O5 + H2O --> HNO3 + HNO3 ;r=6.5E-6 (20)
HNO3 --> HNO3W ;r=4.8E-3 (21)
CH3O2 + NO --> CH3O + NO2 ;r=1.2E4 (22)
CH3O2 + NO2 --> CH3O2NO2 ;r=1.9E4 (23)
CH3O2NO2 --> CH3O2 + NO2 ;r=6.0E2 (24)
CH3O2 + HO2 --> CH3OOH + O2 ;r=4.2E3 (25)
CH3O2 + CH3O2 --> CH3O + CH3O + O2 ;r=2.3E2 (26)
CH3O2 + CH3O2 --> CH3OH + HCHO + O2 ;r=3.9E2 (27)
CH3O2 + CH3O2 --> CH3OOCH3 + O2 ;r=4.4E1 (28)
CH3O + NO --> CH3ONO ;r=2.6E4 (29)
CH3O + NO --> HCHO + HNO ;r=4.4E3 (30)
CH3O + NO2 --> CH3ONO2 ;r=2.0E4 (31)
CH3O + NO2 --> HCHO + HONO ;r=3.5E3 (32)
CH3O + O2 --> HCHO + HO2 ;r=1.9 (33)
HCO + O2 --> HO2 + CO ;r=8.1E3 (34)
CH3C(O)O2 + NO + (O2) --> CH3O2 + CO2 + NO2 ;r=4.4E3 (35)
CH3C(O)O2 + NO2 --> PAN ;r=2.9E3 (36)
PAN --> CH3C(O)O2 + NO2 ;r=5.7E-2 (37)
CH3C(O)O2 + HO2 --> CH3C(O)O2H + O2 ;r=4.4E3 (38)
C3H6 + OH + (O2) --> CH3CH(O2)CH2OH ;r=2.3E4 (39)
C3H6 + OH + (O2) --> CH3CH(OH)CH2O2 ;r=1.2E4 (40)
CH3CH(O2)CH2OH + NO --> CH3CH(O)CH2OH + NO2 ;r=2.8E4 (41)
CH3CH(O2)CH2OH + NO --> CH3CH(ONO2)CH2OH ;r=1.5E3 (42)
CH3CH(OH)CH2O2 + NO --> CH3CH(OH)CH2O + NO2 ;r=2.8E4 (43)
CH3CH(OH)CH2O2 + NO --> CH3CH(OH)CH2ONO2 ;r=1.5E3 (44)
CH3CH(O)CH2OH + (O2) --> CH3CHO + HCHO + HO2 ;r=3.6E8 (45)
CH3CH(OH)CH2O + (O2) --> CH3CHO + HO2 + HCHO ;r=3.6E7 (46)
CH3CH(O)CH2OH + O2 --> CH3C(O)CH2OH + HO2 ;r=1.7 (47)
CH3CH(OH)CH2O + O2 --> CH3CH(OH)CHO + HO2 $B!!(B $B!!(B ;r=1.7 (48)
CH3CH(O2)CH2OH + HO2 --> CH3CH(O2H)CH2OH + O2 $B!!!!(B ;r=4.2E3 (49)
CH3CH(OH)CH2O2 + HO2 --> CH3CH(OH)CH2O2H + O2 $B!!!!(B ;r=4.2E3 (50)
CH3C(O)CH2OH + OH + (O2) --> CH3C(O)CHO + HO2 + H2O $B!!!!(B;r=1.0E4 (51)
CH3CH(OH)CHO + OH + (O2) --> CH3C(O)CHO + HO2 + H2O$B!!!!(B ;r=1.9E4 (52)
CH3CH(OH)CHO + OH + (O2) --> CH3CH(OH)C(O)O2 + H2O $B!!!!(B;r=2.3E4 (53)
CH3CH(OH)C(O)O2 + NO + (O2) --> CH3CHO + HO2 + CO2 + NO2 ;r=4.4E3 (54)
CH3CH(OH)C(O)O2 + NO2 --> CH3CH(OH)C(O)O2NO2 $B!!!!(B;r=2.9E3 (55)
CH3CH(OH)C(O)O2NO2 --> CH3CH(OH)C(O)O2 + NO2 $B!!!!(B ;r=8.4E-2 (56)
CH3CH(OH)C(O)O2 + HO2 --> CH3CH(OH)C(O)O2H + O2 $B!!!!(B;r=4.4E3 (57)
CH3C(O)CHO + OH + (O2) --> CH3C(O)O2 + CO + H2O $B!!!!(B ;r=2.3E4 (58)
C3H6 + NO3 + (O2) --> CH3CH(O2)CH2ONO2 $B!!!!!!(B ;r=8.0 (59)
C3H6 + NO3 + (O2) --> CH3CH(ONO2)CH2O2 $B!!!!(B;r=3.9 (60)
CH3CH(O2)CH2ONO2 + NO --> CH3CH(O)CH2ONO2 + NO2 $B!!!!(B ;r=2.8E4 (61)
CH3CH(O2)CH2ONO2 + NO --> CH3CH(ONO2)CH2ONO2 ;r=1.2E4 (62)
CH3CH(ONO2)CH2O2 + NO --> CH3CH(ONO2)CH2O + NO2 ;r=2.8E4 (63)
CH3CH(ONO2)CH2O2 + NO --> CH3CH(ONO2)CH2ONO2 ;r=1.2E4 (64)
CH3CH(O2)CH2ONO2 + HO2 --> CH3CH(OOH)CH2ONO2 + O2 ;r=4.2E3 (65)
CH3CH(ONO2)CH2O2 + HO2 --> CH3CH(ONO2)CH2OOH + O2 ;r=4.2E3 (66)
CH3CH(O)CH2ONO2 + NO2 --> CH3CH(ONO2)CH2ONO2 ;r=2.0E4 (67)
CH3CH(ONO2)CH2O + NO2 --> CH3CH(ONO2)CH2ONO2 ;r=2.0E4 (68)
CH3CH(O)CH2ONO2 + O2 --> CH3C(O)CH2ONO2 + HO2 ;r=4.4 (69)
CH3CH(ONO2)CH2O + O2 --> CH3CH(ONO2)CHO + HO2 ;r=4.4 (70)
CH3CH(O)CH2ONO2 --> CH3CHO + HCHO + NO2 ;r=1.8E7 (71)
CH3CH(ONO2)CH2O --> CH3CHO + HCHO + NO2 ;r=1.8E6 (72)
HCHO + OH --> HCO + H2O ;r=1.4E4 (73)
CH3CHO + OH + (O2) --> CH3C(O)O2 + H2O ;r=2.3E4 (74)
HCHO + NO3 --> HCO + HNO3 ;r=2.6 (75)
CH3CHO + NO3 + (O2) --> CH3C(O)O2 + HNO3 ;r=2.9 (76)
$B>e5-H?1~%b%G%k$NCf$G!"H?1~(B(16),(35),(39),(40)$BEy$N867OCf$K(B(O2)$B$N9`$,$"$k$N$O!"$=$l$>$l(B
$B#2J,;RH?1~$,?J9T$7$?8e!"0z$-B3$$$F(BO$B#2J,;R$H5^B.$KH?1~$7$F@8@.7O$K<($5$l$k2=3X
$B$=$N7k2L!"A0Js$HF1MM$K"$(B[NO]/$B"$(B[PAN]$B$O(B[C3H6]0/[NO]0$BHf$NA}2C$H$H$b$KD>@~E*$KA}2C$7!"(B
$BN> $B"$(B[NO]/$B"$(B[PAN]$B!a(B3.7 + 3.5([C3H6]0/[NO]0)
$B$5$i$K!""$(B[C3H6]/$B"$(B[PAN]$B$H(B[C3H6]0/[NO]0$B$N4V$K$b!"
$B"$(B[C3H6]/$B"$(B[PAN]$B!a(B1.67([C3H6]0/[NO]0)
$B0J>e$N7k2L$O!"A0Js(B[4]$B$N9bG;EY>r7o2<$N>l9g$HF1MM$K!"(B
$BBg5$$K6a$$DcG;EY>r7o2<$K$*$$$F$b(BPAN$B$N(B
$BJ,2r$KH<$&(BNO$B$*$h$S%W%m%Z%s$N;@2=$,B%?J$5$l!"$=$NDxEY$O(B[C3H6]0/[NO]0$BHf$K$N$_0MB8$7!"(B
$B29EY$K0MB8$7$J$$$3$H$r<($7$F$$$k!#$7$?$,$C$F!";@2=$5$l$k(BNO$BNL$*$h$S%W%m%Z%sNL$O!"(B
$B>e<0$h$jF1$8(B[C3H6]0/[NO]0$BHf$K$*$$$F$O(BPAN$B$NJ,2rNL$=$N$b$N$K;YG[$5$l$k$3$H$r0UL#$7$F(B
$B$*$j!"Bg5$29EY$,9b$$Dx!"(BPAN$B$NJ,2rB.EY$,9b$/$J$C$F(BNO$B$*$h$S%W%m%Z%s$N;@2=$,B%?J$5$l$k$N$K(B
$BBP$7$F!"Dc29EY$G$O(BPAN$B$O0BDj$H$J$j!"(BNO2$B$N%j%6!<%P!<$H$7$F1s3VCO$^$GIw$K$h$jM"Aw$5$l$k$H(B
$BM=A[$5$l$k!#(B
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