Tio2 Photocatalytic Degradation of 4-Chlorobiphenyl As Affected by Solvents and Surfactants

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soils, sec 2 • global change, environ risk assess, sustainable land use • research article

TiO2 photocatalytic degradation of 4-chlorobiphenyl as affected by solvents and surfactants

Xiangdong Zhu • Dongmei Zhou • Longcang • Yujun Wang

Received: 7 November 2011 / Accepted: 20 December 2011

Responsible editor: Huijun Zhao

X. D. Zhu • D. M. Zhou () • L. Cang • Y. J. Wang

Key Laboratory of Soil Environment and Pollution Remediation, Institute of Soil Science, Chinese Academy of Sciences, Nanjing 210008, P. R. China

e-mail:

X. D. Zhu

Graduate School of Chinese Academy of Sciences, Beijing 100049, P. R. China

() Corresponding author:

Tel: 86-25-86881180

Fax: 86-25-86881000

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Kinetic parameters for photocatalytic degradationof PCB3with initial concentrations of PCB3and Brij35/Tween80 (Table S1), the degradation intermediates identified from GC-EI-MS (Tables S2 and S3), charges of atoms and bond lengths of the PCB3 based on the AM1 level (Table S4), and the structure of 4-chlorobiphenyl (Fig. S1) as well as the GC-MS-EI spectrum of degradation products of PCB3 (Figs. S2) are included.

Table S1

Kinetic parameters for photocatalytic degradation of PCB3 with different PCB3, Brij35 and Tween80 at room temperature (TiO2: 100 mg L-1, UV: 500W).

C0 / k(min-1) / t1/2 (min) / R2
PCB3(mg L-1) / 0.5 / 0.0392± 0.0013 / 17.68 ±0.57 / 0.99
1 / 0.0256 ± 0.0001 / 27.08 ±0.07 / 0.97
2 / 0.0210 ± 0.0006 / 33.01 ±0.89 / 0.96
4 / 0.0172 ± 0.0001 / 40.30 ±0.17 / 0.99
Brij35(×CMC) / 0 / 0.0242 ± 0.0011 / 28.64 ±1.33 / 0.99
0.5 / 0.0211 ± 0.0001 / 32.85 ±0.22 / 0.99
1 / 0.0196 ± 0.0009 / 35.37 ±1.65 / 0.99
10 / 0.0198 ± 0.0015 / 35.01 ±2.65 / 0.99
50 / 0.0407 ± 0.0011 / 17.03 ±0.47 / 0.99
100 / 0.0614 ± 0.0038 / 11.29 ±0.70 / 0.97
Tween80 (×CMC) / 0.5 / 0.0191 ± 0.0006 / 36.29 ±1.08 / 0.99
1 / 0.0198 ± 0.0005 / 35.01 ±0.88 / 0.99
10 / 0.0129 ± 0.0006 / 53.74±2.36 / 0.99
50 / 0.0058 ± 0.0007 / 119.5 ±14.68 / 0.92
100 / 0.0040 ± 0.0019 / 173.3 ±96.04 / 0.86

Table S2

GC-MS-EI retention times (Rt), spectrum characteristics and possible structures (main products) from photocatalytic degradation of PCB3 after 30 minirradiation.

Intermediate / Rt (min) / EI-MS spectrum (m/z) (abundance %) / Possible structure
A / 10.69 / 43(32), 91(75), 119(100), 118(29) /
B / 11.38 / 154(100) /
C / 14.84 / 115(32), 141(51), 169(100) /
D / 15.15 / 41(59), 167(32), 202(100) /
E / 15.27 / 41(75), 167(62), 202(100), 204(32) /
F / 15.88 / 139(31), 168(100), 218(98), 219(33) /
G / 16.16 / 139(26), 204(100) /
H / 16.25 / 170(67), 204(100), 206(33) /
I / 16.29 / 170(100) /
J / 18.40 / 204(100), 206(34) /
K / 18.52 / 152(44), 215(100) /

Table S3

GC-MS-EI retention times (Rt), spectrum characteristics and possible structures (main products) from photocatalytic degradation of PCB3 after 90 minirradiation.

Intermediate / Rt (min) / EI-MS spectrum (m/z) (abundance %) / Possible structure
a / 6.71 / 77(72), 105(100) /
b / 6.97 / 43(100), 121(42) /
c / 10.69 / 43(33), 119(100) /
d / 11.37 / 152(26), 154(100) /
e / 14.21 / 152(28), 170(100) /
f / 16.15 / 56(36), 131(33), 203(45), 204(100) /
g / 16.25 / 169(42), 204(100), 206(33) /
h / 16.28 / 170(100) /
i / 18.41 / 204(100), 206(29) /
j / 18.52 / 152(48), 215(100), 217(36) /

Table S4

The calculated charges of atoms and bond lengths of the PCB3 based on the AM1 level (chemoffice2004, mopac).

Atoms / Charge / Bond / Bond length (optimal)
C1 / -0.20536 / C2-Cl13 / 1.719
C2 / -0.11571 / C-C / 1.420
C3 / -0.20523 / C-H / 1.100
C4 / -0.19756
C5 / -0.07920
C6 / -0.19655
C7 / -0.09586
C8 / -0.21106
C9 / -0.23534
C10 / -0.22355
C11 / -0.23594
C12 / -0.20964
Cl13 / -0.03988

Fig. S1. The structure of 4-chlorobiphenyl

Fig.S2.GC-MS-EI spectrum of photocatalytic degradation products of PCB3 after 30 min (above) and 90 min (below) irradiation.