Supporting information

for

Using gridded multimedia model to simulate spatial fate of

Benzo[α]pyrene on regional scale

Shijie Liu a,b, Yonglong Lu a,* , Tieyu Wang a, Shuangwei Xie a,b, Kevin C. Jones c,

Andrew J. Sweetman c

a State Key Laboratory of Urban and Regional Ecology, Research Center for Eco-

Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China

b University of Chinese Academy of Sciences, Beijing 100049, China

c Lancaster Environment Centre, Lancaster University, Lancaster LA1 4YQ, UK

* Corresponding author. Tel.: + 86 10 62917903; fax: + 86 10 62918177. E-mail addresses: yllu@rcees.ac.cn

Caption:

Table SI1: Mass balance equations of the model Table SI2: Comparison of model outputs with measured concentrations

Table SI3: Comparison of forecasts and fitted distributions of BaP emission rate, concentration in air and soil in region 37 Fig. SI1: Rivers and hydrometric stations selected in Bohai coastal region for water flux matrix construction Fig. SI2: Modeled concentrations of BaP in vegetation (a), freshwater biota (b) and marine biota (c) in Bohai coastal region.Fig. SI3: Flux of BaP in each sub-region entering the sea in Bohai coastal regionFig. SI4: Percentage of BaP removed by advection and degradation processesFig. SI5: Percentage of BaP removed by various degradation processes in each sub-regionFig. SI6: Estimate distribution of BaP emission rate (a), concentration in air (b) and concentration in soil (c) in segment 37.

Table SI1. Mass balance equations of the model

Steady-state Mass Balance Equations(1) Air f(1)·DT(1)=E(1)+f(2)·D(2,1)+f(3)·D(3,1)+f(4)·D(4,1)+f(5)·D(5,1)(2) Vegetation f(2)·DT(2)=E(2)+f(1)·D(1,2)+f(5)·D(5,2)(3) Fresh Water f(3)·DT(3)=E(3)+f(1)·D(1,3)+f(5)·D(5,3)+f(6)·D(6,3)(4) Coastal Water f(4)·DT(4)=E(4)+f(1)·D(1,4)+f(3)·D(3,4)(5) Soil f(5)·DT(5)=E(5)+f(1)·D(1,5)+f(2)·D(2,5)(6) Sediment f(6)·DT(6)=E(6)+f(3)·D(3,6)f(x), Fugacity of chemical in compartment x, Pa; E(x), Emission rate to compartment x, mol/h; D(x,y), D value for inter-compartmental transfer of chemical from compartment x to

compartment y, mol/Pa·h; DT(x), Total D value for removal of chemical from compartment x, including advection and degradation, mol/Pa·h

Table SI2. Comparison of model outputs with measured concentrations Regio

nNo.

Region n YearMeasure

d (Median)

ModelOutput Reference

Air (ng/m3)

26 Tianjin urban area 6 2008 3.40 1.90 Shi et al. (2010)Water (ng/L)

17 Baiyangdian lake 10 2008 11.79 1.23 Liu et al. (2010)

48 Xihe river, Shenyang 10 2009 8.67a 2.25 Zheng et al. (2010)Soil (ng/g)

25 Beijing233 2008 44.4 6.12 Peng et al. (2011)

27 North Bohai Bay 4 2008 10.61 11.79 Jiao (2009)

28 North Bohai Bay 5 2008 7.85 5.76 Jiao (2009)

31 North Bohai Bay 1 2008 6.88 3.75 Jiao (2009)

32 North Bohai Bay 1 2008 11.38 3.77 Jiao (2009)

37 North Bohai Bay 5 2008 15.82 3.60 Jiao (2009)

38 North Bohai Bay 1 2008 8.53 3.31 Jiao (2009)38 Liaohe river estuarine 31 2009 14.5a 3.31 Wang et al. (2011)

39 North Bohai Bay 3 2008 19.65 9.13 Jiao (2009)

46 North Bohai Bay 4 2008 10.98 5.45 Jiao (2009)Sediment (ng/g)

17 Baiyangdian lake 10 2008 13.93 8.37 Liu et al. (2010)

27 North Bohai Bay 5 2008 14.77 27.77 Jiao (2009)

28 North Bohai Bay 7 2008 11.13 17.81 Jiao (2009)

31 North Bohai Bay 1 2008 10.66 9.13 Jiao (2009)

32 North Bohai Bay 1 2008 8.88 4.92 Jiao (2009)

37 North Bohai Bay 5 2008 24.14 8.81 Jiao (2009)

38 Daliao river estuary 40 2007 16.77a 14.47 Men et al. (2009)

38 North Bohai Bay 2 2008 37.33 14.47 Jiao (2009)

39 North Bohai Bay 3 2008 30.12 23.45 Jiao (2009)

46 North Bohai Bay 4 2008 24.46 18.64 Jiao (2009)a: mean value

Table SI3. Comparison of forecasts and fitted distributions of BaP emission rate, concentration in air and soil in region 37

Mean S.D

Skewnes

s Kurtosis CV

Emission rate Fit: lognormal 2833.97 1317.25 1.63 8.05 0.46

Forecast values 2834.08 1318.27 1.63 8.03 0.47

BaP concentration in air Fit: lognormal 0.91 0.41 1.27 6.00 0.46

Forecast values 0.91 0.42 1.32 6.24 0.46

BaP concentration in soil Fit: lognormal 1.89 2.89 8.17 229.60 1.53

Forecast values 1.87 2.65 4.93 44.64 1.52

Fig.SI1. Rivers and hydrometric stations selected in Bohai coastal region for water flux matrix construction

Fig. SI2. Modeled concentrations of BaP in vegetation (a), freshwater biota (b) and marine biota (c) in Bohai coastal region.

Fig. SI3. Flux of BaP in each sub-region entering the sea in Bohai coastal region

Fig. SI4. Percentage of BaP removed by advection and degradation processes

Fig. SI5. Percentage of BaP removed by various degradation processes in each sub-region

Fig. SI6. Estimate distribution of BaP emission rate (a), concentration in air (b) and concentration in soil (c) in segment 37.

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