ELECTRONIC SUPPLEMENTARY MATERIAL
SEDIMENTS, SEC 2 • PHYSICAL AND BIOGEOCHEMICAL PROCESSES • RESEARCH
ARTICLE
Investigating particle concentration effects of polycyclic aromatic hydrocarbon (PAH)
sorption on sediment considering the freely dissolved concentrations of PAHs
Jianwei Dong • Xinghui Xia • Yawei Zhai
J. W. Dong • X. H. Xia () • Y. W. Zhai
State Key Laboratory of Water Environment Simulation / School of Environment, Beijing
Normal University, Beijing, 100875, P. R. China
() Corresponding author:
Xinghui Xia
Tel.: +86 10 58805314
Fax: +86 10 58805314
e-mail: xiaxh@bnu.edu.cn
1
Contents
1 GC/MS analysis of PAHs
References
Tables
Table S1 Physico-chemical properties of polycyclic aromatic hydrocarbons (PAHs)
Table S2 Effects of SPS concentration on DOC concentration
Figures
Figure S1 The loss of d10-pyrene on LDPE strips vs time
Figure S2 Dissolved pyrene concentration in water phase vs time during sorption experiments
(sediment = 10 g/L)
Figure S3 Sorption quantity of pyrene on Yellow River sediment under different SPS
concentrations in the presence and absence of other PAHs
Figure S4 Pyrene quantity bound with third phase for Yellow River sediment under different SPS
concentrations in the presence and absence of other PAHs
2
1 GC/MS analysis of PAHs
PAHs were analyzed by a gas chromatography-mass spectrometry (GC-MS) system equipped
with an Agilent 5975 C mass-selective detector (MSD) (HP-5 MS, 5% phenyl methyl siloxane 35
m×0.25 mm diameter, and 0.25 μm film thickness). The injection port temperature was
maintained at 280°C. Highly pure Helium (99.9999%) was chosen as the carrier gas, and kept at a
constant flow rate of 1.0 ml min-1. Sample extracts (1.0 µl) were injected in the splitless mode.
The GC oven temperature was held at 80°C for 2 min, then ramped at 15°C min-1 to 230°C and
held for 2 min. The temperature was then programmed to increase to 290°C at 8°C min-1 and held
for 2 min. Ionization was performed in electron impact (EI) mode. The ion source and quadrupole
analyzer temperatures were fixed at 230 and 150°C, respectively. For identification of each target
chemical, full scan mode from 35 to 550 amu was firstly performed and identification based on
both retention time and characteristic ions. The quantification of each individual PAH was
performed using the pre-established method in our previous work (Liu et al. 2010). Calculation of
freely dissolved concentration of PAHs in water phase based on their concentrations and their
deuterated compound concentrations in LDPE was referred to our previous study (Wang et al.
2011).
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References
Adams RG, Lohmann R, Fernandez LA, MacFarlane JK, Gschwend PM (2007) Polyethylene
devices: Passive samplers for measuring dissolved hydrophobic organic compounds in
aquatic environments. Environ Sci technol 41:1317-1323
Liu S, Xia X, Yang L, Shen M, Liu R (2010) Polycyclic aromatic hydrocarbons in urban soils of
different land uses in Beijing, China: Distribution, sources and their correlation with the
city's urbanization history. J Hazard Mater 177:1085-1092
Schwarzenbach RP, Gschwend PM, Imboden DM, Wiley J (2003) Environmental organic
chemistry. 2nd ed. John Wiley & Sons, USA
Wang F, Bu Q, Xia X, Shen M (2011) Contrasting effects of black carbon amendments on PAH
bioaccumulation by Chironomus plumosus larvae in two distinct sediments: Role of water
absorption and particle ingestion. Environ Pollut 159:1905-1913
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Table S1 Physico-chemical properties of polycyclic aromatic hydrocarbons (PAHs)
Molecular
Mi
ρi
Tm
Tb
formula
(g•mol-1)
(g•cm-3)
(°C )
(°C )
Phenanthrene
C14H10
178.2
0.98
101.0
Pyrene
C16H10
202.2
1.27
Chrysene
C18H12
228.3
1.28
Compound name
Log(Pi* Pa-1)
-logCiwsat
-logKiaw
logKiow
Log KPEW
339.0
-1.66
5.20
2.85
4.57
4.3
156.0
403.0
-3.09
6.16
3.32
5.13
5.0
255.0
448.0
-6.22
8.05
4.56
5.81
5.7
-1
Notes：Mi (molar mass), ρi (density), Tm (melting point), Tb (boiling point), Pi* (vapor pressure), CSat
iW (aqueous solubility, mol L ), Kiaw (air-water partition constant),
Kiow (octanol-water partition constant), Kia (acidity constant of some environmentally relevant organic chemicals density (20°C), all other data are given for 25°C),
Sat
fusG / RT
CSat
, (Schwarzenbach et al. 2003); Log KPEW from Adams et al. 2007
iW ( L)  C W (S)  e
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Table S2 Effects of SPS concentration on DOC concentration
DOC concentration (mg L-1)
River sediment
2 g L-1 SPS
5 g L-1 SPS
10 g L-1 SPS
Yellow River
1.343±0.031
1.383±0.043
1.695±0.001
Haihe River
1.770±0.021
2.027±0.064
2.400±0.082
6
The loss of d10-Pyrene on LDPE (%)
120
100
80
60
40
20
0
0
5
10
15
20
25
30
35
Time (d)
The loss of d10-Pyrene on LDPE (%)
70
60
50
40
30
20
10
0
0
5
10
15
20
25
Time (h)
Fig. S1 The loss of d10-pyrene on LDPE strips vs time
7
30
Pyrene concentration in water phase (µg/L)
1
0.8
0.6
0.4
0.2
0
0
100
200
300
400
500
600
700
800
Time (h)
Fig. S2 Dissolved pyrene concentration in water phase vs time during sorption
experiments (sediment = 10 g L-1)
8
Sorption quantity of pyrene on SPS (µg)
14
12
2 g L-1
in the absence of other PAHs
10
in the presence of other PAHs
8
6
4
2
0
0.1
0.2
0.5
1
2
5
10
5
10
5
10
Initial pyrene concentration (µg L -1 )
Sorption quantity of pyrene on SPS (µg)
14
12
5 g L-1
in the absence of other PAHs
10
in the presence of other PAHs
8
6
4
2
0
0.1
0.2
0.5
1
2
Initial pyrene concentration (µg L-1 )
Sorption quantity of pyrene on SPS (µg)
14
10 g L-1
12
in the absence of other PAHs
10
in the presence of other PAHs
8
6
4
2
0
0.1
0.2
0.5
1
2
Initial pyrene concentration (µg L-1 )
Fig. S3 Sorption quantity of pyrene on Yellow River sediment under different
SPS concentrations in the presence and absence of other PAHs
9
Quantity bound with third phase (µg)
8
2 g L-1
7
in the absence of other PAHs
6
in the presence of other PAHs
5
4
3
2
1
0
0.1
0.2
0.5
1
2
5
10
5
10
5
10
Quantity bound with third phase (µg)
Initial pyrene concentration (µg L -1 )
8
7
5 g L-1
in the absence of other PAHs
6
in the presence of other PAHs
5
4
3
2
1
0
0.1
0.2
0.5
1
2
Quantity bound with third phase (µg)
Initial pyrene concentration (µg L-1 )
8
7
10 g L-1
in the absence of other PAHs
6
in the presence of other PAHs
5
4
3
2
1
0
0.1
0.2
0.5
1
2
Initial pyrene concentration (µg
L-1 )
Fig. S4 Pyrene quantity bound with third phase for Yellow River sediment under
different SPS concentrations in the presence and absence of other PAHs
10