Supplement of Aerosol water parameterisation: a single ... · 1 S1 Examples { Semi-volatile compounds 2 The following three sub-sections provide detailed examples for semi-volatile
This document is posted to help you gain knowledge. Please leave a comment to let me know what you think about it! Share it to your friends and learn new things together.
Figure S3: Extension of Figure 4 (main text): The bulk comparison of the total aerosolwater mass, mw,mix [kg/m3(air)] obtained by Eq. (22) for EQSAM4clim, is shown forvarious single and mixed solutions. The dry concentration of each compound is fixed to1 [µmol/m3(air)] at T = 298.15 K. Results of EQSAM4clim (red crosses) and ISOR-ROPIA II (green squares) are shown for RH = 50 − 97 [%] (large panels) and for theRH = 95 − 99.5 [%] (small panel). The results of E-AIM (web version) (blue circles) areincluded for comparison. The mixed solution RHD has been obtained for EQSAM4climfrom Eq. (13–22) and are based on measured MDRH values for ISORROPIA II. Themutual deliquescence range of EQSAM4clim and ISORROPIA II (described in Sec. 2.6)differ from those of AIM (web version: http : //www.aim.env.uea.ac.uk/aim/aim.php).Each panel is shown in the following for better reading.
Figure S4 extends the Fig. 5 (main text) to bi-sulfate and sulfuric acid. Both, the307
gaseous uptake of NH3 and HNO3 on saturated solutions and the weak dissociation of,308
e.g., H2SO4 and HSO−4 , are not considered for EQSAM4clim (see Sec. S2). Therefore309
differences occur for bi-sulfate, sulfate and water in the concentration range of ammonia,310
i.e., within 2 − 4 [µg/m3(air)]. At lower ammonia concentrations, where the sulfates are311
less neutralized, the bi-sulfate concentration increases and the sulfate concentration ac-312
cordingly decreases, until only free sulfuric acid exists. Note that the differences between313
EQSAM4clim and ISORROPIA II are for ammonia concentrations below 2 [µg/m3(air)]314
only a matter of naming definition – the version of ISORROPIA II used considers all315
unneutralized sulfate simply as sulfate, an output variable sulfuric acid does not exist,316
since sulfuric acid has such a low vapor pressure that it practically only exists in the317
aerosol phase. EQSAM4clim has an option to treat it either way.318
15
Total Ammonia [µg/m3]
Tota
l con
cent
ratio
n (li
quid
+sol
id) [
µg/m
3 ] NO3-
SO42
Water
NH4+
0
2
4
6
8
10
12
14
0 2 4 6 8 10
0
2
4
6
8
10
12
14
0 2 4 6 8 10
0
5
10
15
20
25
0 2 4 6 8 10
0
2
4
6
8
10
12
14
0 2 4 6 8 10
0
2
4
6
8
10
12
14
0 2 4 6 8 10
0
2
4
6
8
10
12
14
0 2 4 6 8 10
HSO4-
H2SO4
EQSAM4climISORROPIA2
0
2
4
6
8
10
12
14
0 2 4 6 8 10
EQSAM4climISORROPIA2
Figure S4: Extension of Figure 5 (main text): Mixed solution composition of NH4NO3
and (NH4)2SO4 as a function of total ammonia at T = 298.15 [K] and RH = 70 [%],as defined in SP2006 for their Figure 10.23. [TS] = [TN ] = 10 [µg/m3(air)] showingEQSAM4clim (red crosses) and ISORROPIA II (green squares). Each panel is shown inthe following for better reading.
16
[µg
/m3]
NH4+
0
2
4
6
8
10
12
14
0 2 4 6 8 10
Total Ammonia [µg/m3]
EQSAM4clim
ISORROPIA2
Figure S4.1: Panel 1 of Figure S4 (Supplement).
[µg
/m3]
NO3-
0
2
4
6
8
10
12
14
0 2 4 6 8 10
Total Ammonia [µg/m3]
EQSAM4clim
ISORROPIA2
Figure S4.2: Panel 2 of Figure S4 (Supplement).
17
[µg
/m3]
SO42-
0
2
4
6
8
10
12
14
0 2 4 6 8 10
Total Ammonia [µg/m3]
EQSAM4clim
ISORROPIA2
Figure S4.3: Panel 3 of Figure S4 (Supplement).
[µg
/m3]
HSO4-
0
2
4
6
8
10
12
14
0 2 4 6 8 10
Total Ammonia [µg/m3]
EQSAM4clim
ISORROPIA2
Figure S4.4: Panel 4 of Figure S4 (Supplement).
18
[µg
/m3]
H2SO4
0
2
4
6
8
10
12
14
0 2 4 6 8 10
Total Ammonia [µg/m3]
EQSAM4clim
ISORROPIA2
Figure S4.5: Panel 5 of Figure S4 (Supplement).
[µg
/m3]
Water
0
5
10
15
20
25
0 2 4 6 8 10
Total Ammonia [µg/m3]
EQSAM4clim
ISORROPIA2
Figure S4.6: Panel 6 of Figure S4 (Supplement).
19
S3.3 Variable solute concentrations (20 cases)319
Extension of Figure 6 and 7 to 20 aerosol composition cases. Cases 1–5 refer to the sulfate320
very rich regime, cases 6–10 to sulfate rich, and 11–20 to sulfate neutral and poor regimes321
(see Sec. 2.2). The concentrations of all aerosol components only depend on fixed molar322
ratios with respect to the total sulfate concentration, which is fixed to 20 [µg/m3(air)]323
for all 20 cases. The ratios are shown in Table 3 of Xu et al. (2009). Note that some of324
the cases are the same as in the model inter-comparison of Zhang et al. (2000), so that325
a direct comparison can be made to a wider range of equilibrium models, including AIM326
(the case number in the parenthesis in Table 3 of Xu et al., 2009, refers to the cases in327
the study by Zhang et al., 2000). Here, Figures S5–S7 show the corresponding results328
of EQSAM4clim, ISORROPIA II and EQUISOLV II for these 20 cases as a function of329
RH: 10, 20, 30, 40, 50, 60, 70, 80, 90, 95 [%]. The aerosol composition is calculated for each330
model from the gas-liquid-solid equilibrium partitioning, assuming deliquescence.331
Figure S5 shows for the cases 1-20 (from left to right and top to bottom), the bulk332
aerosol water mass as a function of RH at T = 298.15 [K]. Fig. S6 shows the corresponding333
solid particulate matter (cases 11-20 in panels 1-10), panels 11-20 show the corresponding334
total dry particulate matter (PM), i.e., the sum of the liquid and solid aerosol mass335
(without aerosol water). Panels 1-10 of Fig. S7 show the total aerosol nitrate, while the336
panels 11-20 the aerosol ammonium concentration (both show cases 11-20).337
0
20
40
60
80
100
120
140
160
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case01
0
20
40
60
80
100
120
140
160
180
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case02
0
20
40
60
80
100
120
140
160
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case03
0
20
40
60
80
100
120
140
160
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case04
0
20
40
60
80
100
120
140
160
180
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case05
0
20
40
60
80
100
120
140
160
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case06
0
20
40
60
80
100
120
140
160
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case07
0
20
40
60
80
100
120
140
160
180
200
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case08
0
20
40
60
80
100
120
140
160
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case09
0
20
40
60
80
100
120
140
160
180
200
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case10
0
50
100
150
200
250
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case11
0
50
100
150
200
250
300
350
400
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case12
0
20
40
60
80
100
120
140
160
180
200
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case13
0
50
100
150
200
250
300
350
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case14
0
50
100
150
200
250
300
350
400
450
500
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case15
0
20
40
60
80
100
120
140
160
180
200
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case16
0
50
100
150
200
250
300
350
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case17
0
50
100
150
200
250
300
350
400
450
500
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case18
0
50
100
150
200
250
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case19
0
50
100
150
200
250
300
350
400
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case20
bulk
mas
s [µg
/m3 (
air)]
RH [%]
Aerosol water mass - case 01-20
Figure S5: Extension of Figure 6 (main text): Bulk aerosol water mass as a function of RHfor various sulfate molar ratios, fixed for the entire RH range (at constant T = 298.15 K).Only the dry concentration ratio varies from case to case to match the domains of Table 2.The 20 aerosol composition cases refer to Table 3 of Xu et al. (2009). A subset of fourpanels is shown in the following for better reading.
20
0
20
40
60
80
100
120
140
160
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case01
0
20
40
60
80
100
120
140
160
180
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case02
0
20
40
60
80
100
120
140
160
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case03
0
20
40
60
80
100
120
140
160
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case04
RH [%]
Aerosol water mass - case 01-04
bulk
mas
s [µ
g/m
3 (
air)
]
Figure S5.1: Case 1-4 of Figure S5 (Supplement).
0
20
40
60
80
100
120
140
160
180
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case05
0
20
40
60
80
100
120
140
160
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case06
0
20
40
60
80
100
120
140
160
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case07
0
20
40
60
80
100
120
140
160
180
200
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case08
RH [%]
Aerosol water mass - case 05-08
bulk
mas
s [µ
g/m
3 (
air)
]
Figure S5.2: Case 5-8 of Figure S5 (Supplement).
21
0
20
40
60
80
100
120
140
160
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case09
0
20
40
60
80
100
120
140
160
180
200
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case10
0
50
100
150
200
250
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case11
0
50
100
150
200
250
300
350
400
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case12
RH [%]
Aerosol water mass - case 09-12
bulk
mas
s [µ
g/m
3 (
air)
]
Figure S5.3: Case 9-12 of Figure S5 (Supplement).
0
20
40
60
80
100
120
140
160
180
200
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case13
0
50
100
150
200
250
300
350
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case14
0
50
100
150
200
250
300
350
400
450
500
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case15
0
20
40
60
80
100
120
140
160
180
200
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case16
RH [%]
Aerosol water mass - case 13-16
bulk
mas
s [µ
g/m
3 (
air)
]
Figure S5.4: Case 13-16 of Figure S5 (Supplement).
22
0
50
100
150
200
250
300
350
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case17
0
50
100
150
200
250
300
350
400
450
500
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case18
0
50
100
150
200
250
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case19
0
50
100
150
200
250
300
350
400
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case20
RH [%]
Aerosol water mass - case 17-20
bulk
mas
s [µ
g/m
3 (
air)
]
Figure S5.5: Case 17-20 of Figure S5 (Supplement).
0
5
10
15
20
25
30
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case11
0
5
10
15
20
25
30
35
40
45
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case12
0
5
10
15
20
25
30
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case13
0
5
10
15
20
25
30
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case14
0
5
10
15
20
25
30
35
40
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case15
0
5
10
15
20
25
30
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case16
0
5
10
15
20
25
30
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case17
0
5
10
15
20
25
30
35
40
45
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case18
0
5
10
15
20
25
30
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case19
0
5
10
15
20
25
30
35
40
45
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case20
26
28
30
32
34
36
38
40
42
44
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case11
35
40
45
50
55
60
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case12
27
28
29
30
31
32
33
34
35
36
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case13
25
30
35
40
45
50
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case14
35
40
45
50
55
60
65
70
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case15
27
28
29
30
31
32
33
34
35
36
37
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case16
25
30
35
40
45
50
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case17
35
40
45
50
55
60
65
70
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case18
26
28
30
32
34
36
38
40
42
44
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case19
40
45
50
55
60
65
70
75
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case20
solid
s [µg
/m3 ]
aq+s
[µg/
m3 ]
RH [%]
Particulate (bulk) mass - case 11-20
Figure S6: Extension of Figure 7 (main text): Total solid PM and liquid+solid PM.
23
0
5
10
15
20
25
30
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case11
0
5
10
15
20
25
30
35
40
45
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case12
26
28
30
32
34
36
38
40
42
44
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case11
35
40
45
50
55
60
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case12
soli
ds
[µg/m
3]
aq+
s [µ
g/m
3]
RH [%]
Particulate (bulk) mass - case 11-12
Figure S6.1: Case 11-12 of Figure S6 (Supplement).
0
5
10
15
20
25
30
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case13
0
5
10
15
20
25
30
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case14
27
28
29
30
31
32
33
34
35
36
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case13
25
30
35
40
45
50
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case14
RH [%]
Particulate (bulk) mass - case 13-14
soli
ds
[µg/m
3]
aq+
s [µ
g/m
3]
Figure S6.2: Case 13-14 of Figure S6 (Supplement).
24
0
5
10
15
20
25
30
35
40
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case15
0
5
10
15
20
25
30
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case16
35
40
45
50
55
60
65
70
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case15
27
28
29
30
31
32
33
34
35
36
37
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case16
RH [%]
Particulate (bulk) mass - case 15-16
soli
ds
[µg/m
3]
aq+
s [µ
g/m
3]
Figure S6.3: Case 15-16 of Figure S6 (Supplement).
0
5
10
15
20
25
30
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case17
0
5
10
15
20
25
30
35
40
45
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case18
25
30
35
40
45
50
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case17
35
40
45
50
55
60
65
70
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case18
RH [%]
Particulate (bulk) mass - case 17-18
soli
ds
[µg/m
3]
aq+
s [µ
g/m
3]
Figure S6.4: Case 17-18 of Figure S6 (Supplement).
25
0
5
10
15
20
25
30
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case19
0
5
10
15
20
25
30
35
40
45
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case20
26
28
30
32
34
36
38
40
42
44
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case19
40
45
50
55
60
65
70
75
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case20
RH [%]
Particulate (bulk) mass - case 19-20
soli
ds
[µg/m
3]
aq+
s [µ
g/m
3]
Figure S6.5: Case 19-20 of Figure S6 (Supplement).
0
2
4
6
8
10
12
14
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case11
8
10
12
14
16
18
20
22
24
26
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case12
0
1
2
3
4
5
6
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case13
0
2
4
6
8
10
12
14
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case14
2
4
6
8
10
12
14
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case15
0
1
2
3
4
5
6
7
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case16
0
2
4
6
8
10
12
14
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case17
2
3
4
5
6
7
8
9
10
11
12
13
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case18
0
2
4
6
8
10
12
14
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case19
5
10
15
20
25
30
35
40
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case20
7
7.5
8
8.5
9
9.5
10
10.5
11
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case11
10
10.5
11
11.5
12
12.5
13
13.5
14
14.5
15
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case12
5.4
5.6
5.8
6
6.2
6.4
6.6
6.8
7
7.2
7.4
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case13
5
6
7
8
9
10
11
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case14
2
3
4
5
6
7
8
9
10
11
12
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case15
5
5.5
6
6.5
7
7.5
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case16
5
6
7
8
9
10
11
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case17
2
3
4
5
6
7
8
9
10
11
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case18
6.5
7
7.5
8
8.5
9
9.5
10
10.5
11
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case19
10
10.5
11
11.5
12
12.5
13
13.5
14
14.5
15
10 20 30 40 50 60 70 80 90 100
EQSAM4clim ISORROPIA2 EQUISOLV2 - case20
NO3- [µg/m3 ]
NH4+ [µg/m3 ]
RH [%]
Nitrate and ammonium mass - case 11-20
Figure S7: Extension of Figure 7 (main text): Bulk aerosol nitrate and ammonium.
26
0
2
4
6
8
10
12
14
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case11
8
10
12
14
16
18
20
22
24
26
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case12
7
7.5
8
8.5
9
9.5
10
10.5
11
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case11
10
10.5
11
11.5
12
12.5
13
13.5
14
14.5
15
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case12
NO3-(a
q+
s) [
µg/m
3]
NH4+(a
q+
s) [
µg/m
3]
RH [%]
Nitrate and ammonium mass - case 11-12
Figure S7.2: Case 11-12 of Figure S7 (Supplement).
0
1
2
3
4
5
6
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case13
0
2
4
6
8
10
12
14
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case14
5.4
5.6
5.8
6
6.2
6.4
6.6
6.8
7
7.2
7.4
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case13
5
6
7
8
9
10
11
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case14
NO3-(a
q+
s) [
µg/m
3]
NH4+(a
q+
s) [
µg/m
3]
RH [%]
Nitrate and ammonium mass - case 13-14
Figure S7.3: Case 13-14 of Figure S7 (Supplement).
27
2
4
6
8
10
12
14
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case15
0
1
2
3
4
5
6
7
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case16
2
3
4
5
6
7
8
9
10
11
12
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case15
5
5.5
6
6.5
7
7.5
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case16
NO3-(a
q+
s) [
µg/m
3]
NH4+(a
q+
s) [
µg/m
3]
RH [%]
Nitrate and ammonium mass - case 15-16
Figure S7.4: Case 15-16 of Figure S7 (Supplement).
0
2
4
6
8
10
12
14
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case17
2
3
4
5
6
7
8
9
10
11
12
13
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case18
5
6
7
8
9
10
11
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case17
2
3
4
5
6
7
8
9
10
11
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case18
NO3-(a
q+
s) [
µg/m
3]
NH4+(a
q+
s) [
µg/m
3]
RH [%]
Nitrate and ammonium mass - case 17-18
Figure S7.5: Case 17-18 of Figure S7 (Supplement).
28
0
2
4
6
8
10
12
14
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case19
5
10
15
20
25
30
35
40
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case20
6.5
7
7.5
8
8.5
9
9.5
10
10.5
11
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case19
10
10.5
11
11.5
12
12.5
13
13.5
14
14.5
15
10 20 30 40 50 60 70 80 90 100
EQSAM4clim
ISORROPIA2
EQUISOLV2 - case20
NO3-(a
q+
s) [
µg/m
3]
NH4+(a
q+
s) [
µg/m
3]
RH [%]
Nitrate and ammonium mass - case 19-20
Figure S7.6: Case 19-20 of Figure S7 (Supplement).
S3.4 Field observations – MINOS campaign338
Extension of Figure 8 and 9 of Sec. 3.4. Figures S8 and Figure S9 show the gas-liquid-solid339
partitioning results of EQSAM4clim (red crosses) and ISORROPIA II (green squares).340
The equilibrium computations are based on lumped cation and anion concentrations,341
which were observed during MINOS in the aerosol fine and coarse mode, respectively.342
Fig. S8, panels (1-20), show the model results for the aerosol fine mode (from left to343
right, top to bottom): total aerosol water mass [µg/m3(air)], total particulate (aque-344
ous+solid) matter (PM) [µg/m3(air)], total solid PM [µg/m3(air)], total (aqueous+solid)345
PM [µmol/m3(air)], and in [nmol/m3(air)] the (lumped) ion concentrations of: ammo-346
Minos observation period (28.07. - 22.08.2001)Figure S8: Extension of Figure 8 (main text): Aerosol water, total particulate matter andtotal solids [µg/m3(air)], the corresponding residual gases [µmol/m3(air)], and variousions for the fine mode. EQSAM4clim (red crosses), ISORROPIA II (green squares). Asubset of four panels is shown in the following for better reading.