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EC number: 271-756-9 | CAS number: 68607-24-9
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 16 July - 24 October 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- batch equilibrium method
- Media:
- other: soil, sediment and sewage sludge
- Radiolabelling:
- yes
- Test temperature:
- 20 +/- 2°C
- Analytical monitoring:
- yes
- Details on sampling:
- Determination of adsorption equilibrium (kinetics experiment):
- Concentration: 1 mg/L
- Sampling interval: 3, 6, 24 and 48 h (adsorption), 3, 6, 24 and 48 h (desorption)
Determination of isotherms:
- Concentrations: 0.01 - 0.05 - 0.2 - 0.5 - 1 mg/L
- Sampling interval: 24 h (adsorption) and 24 h (desorption) for soils; 42 h (adsorption) and 6 h (desorption) for sediment and sludge - Details on matrix:
- CRANFIELD 164 SOIL
COLLECTION AND STORAGE
- Geographic location: Farditch Farm, Chelmorton, Buxton, United Kingdom (OS map reference SK 1050269133)
- Storage conditions: refrigerated after receipt; ambient temperature after sieving/air drying
- Storage length: maximum 9 months
- Soil preparation: sieved (2 mm) and air dried
PROPERTIES
- Soil texture
- % sand: 20
- % silt: 52
- % clay: 28
- Horizon: 10-20 cm
- Soil classification system: silty clay loam (USDA)
- pH: 6.0
- Organic carbon (%): 3.7
- CEC (meq/100 g): 22.8
- Water holding capacity (%): 65.7
CRANFIELD 277 SOIL
COLLECTION AND STORAGE
- Geographic location: Posher Farm, Upton, Leamington Spa, Warwickshire, United Kingdom (OS map reference SP 3706562304)
- Storage conditions: Ambient temperature after receipt
- Storage length: maximum 9 months
- Soil preparation: sieved (2 mm) and air dried
PROPERTIES
- Soil texture
- % sand: 19
- % silt: 24
- % clay: 57
- Horizon: 0-20 cm
- Soil classification system: clay (USDA)
- pH: 7.4
- Organic carbon (%): 2.7
- CEC (meq/100 g): 22.4
- Water holding capacity (%): 66.6
CRANFIELD 299 SOIL
COLLECTION AND STORAGE
- Geographic location: Stoke Hill Farm, Erlestoke, Wiltshire, United Kingdom (OS map reference ST 9518952867)
- Storage conditions: Ambient temperature after receipt
- Storage length: maximum 9 months
- Soil preparation: sieved (2 mm) and air dried
PROPERTIES
- Soil texture
- % sand: 28
- % silt: 46
- % clay: 28
- Horizon: 3-20 cm
- Soil classification system: loam (USDA)
- pH: 7.6
- Organic carbon (%): 2.9
- CEC (meq/100 g): 14.9
- Water holding capacity (%): 62.1
SW SEDIMENT
- Location: Schoonrewoerdse Wiel, Leerdam, The Netherlands
- Details on collection: sediment was sampled from the upper layer (0-10 cm) from the middle of the pond (depth 8 m)
- Storage conditions: refrigerated after receipt; ambient temperature after sieving/air drying
- Textural classification (i.e. %sand/silt/clay): 44/31/25
- pH: 7.6
- Organic carbon (%): 6.2
- CEC (meq/100 g): 21.7
TILBURG SLUDGE
- Type of sludge: Mix of domestic and industrial waste water
- Source of sludge: Sewage treatment plant RWZI Tilburg-Noord, Tilburg, The Netherlands
- Oxygen status: aerobic
- Details on preparation: The sludge was allowed to settle at ambient temperature. The water layer was separated as much as possible from the precipitated sludge and discarded. The sludge was centrifuged (700 g, 5 min) and the supernatant was decanted. The sludge was frozen at -80°C and subjected to freeze-drying. After freeze-drying, the sludge was sieved over a 2 mm sieve and dried overnight in an oven at 103°C.
- Storage conditions: ambient temperature
- Textural classification (i.e. %sand/silt/clay): 2/39/59
- pH: 6.6
- Organic carbon (%): 37.5
- CEC (meq/100 g): 96.2 - Details on test conditions:
- - Type, size and further details on reaction vessel: 100 mL Erlenmeyer flasks
- Solution: 0.01 M CaCl2 solution (1.47 g calcium chloride dehydrate/L Milli-Q water)
- Amount of soil/sediment/sludge and water per treatment: 0.45 g soil/sediment/sludge and 45 mL and 0.01 M CaCl2 solution
- Soil/sediment/sludge-water ratio: 1:100
- Number of reaction vessels/concentration: 2
- Measuring equipment: LSC
- Are the residues from the adsorption phase used for desorption: yes - Computational methods:
- The Freundlich adsorption and desorption isotherm parameters were calculated by fitting the Freundlich isotherm to the data. Optimisations were performed using the program ModelMaker (AP Benson, Wallingford, Oxfordshire, UK).
- Type:
- Koc
- Value:
- > 950 - < 516 000
- Type:
- log Koc
- Value:
- > 3 - < 5.7
- Adsorption and desorption constants:
- See tables below
- Recovery of test material:
- At the end of the adsorption phase more than 97% of the applied activity was recovered; at the end of the desorption phase more than 94% of the applied activity was recovered .
- Concentration of test substance at end of adsorption equilibration period:
- Adsorption equilibrium was reached within 6 hours for soil and after 48 hours for sediment and sludge. The amount of C22-Trimethylammonium Chloride adsorbed to sediment and sludge was ca. 80% whereas >95% was adsorbed to soil.
- Concentration of test substance at end of desorption equilibration period:
- Desorption equilibrium was reached within 6 hours for each test system. Less than 15% desorbed
- Validity criteria fulfilled:
- yes
- Conclusions:
- C22-Trimethylammonium Chloride adsorption isotherms could be described by the Freundlich equation. KF, ocads values were 19.8 x 103 L/kg (Cranfield 164 soil), 516 x 103 L/kg (Cranfield 277 soil), 52.8 x 103 L/kg (Cranfield 299 soil), 17.4 x 103 L/kg (SW sediment) and 0.95 x 103 L/kg (Tilburg sludge).
Reference
C22-Trimethylammonium Chlorideadsorption and desorption isotherms could be described by the Freundlich equation. Freundlich isotherm parameters are summarised in the tables below.
Freundlich adsorption isotherm parameters forC22-Trimethylammonium Chloride
Test system |
KFads(L/kg) |
KF,ocads(L/kg) |
1/n |
r2 |
data points |
Cranfield 164 soil |
0.73 x 103 |
19.8 x 103 |
0.79 |
0.929 |
10 |
Cranfield 277 soil |
13.9 x 103 |
516 x 103 |
1.09 |
0.956 |
10 |
Cranfield 299 soil |
1.53 x 103 |
52.8 x 103 |
0.82 |
0.976 |
10 |
SW sediment |
1.08 x 103 |
17.4 x 103 |
0.95 |
0.991 |
10 |
Tilburg sludge |
0.36 x 103 |
0.95 x 103 |
1.03 |
0.938 |
9 |
Freundlich desorption isotherm parameters forC22-Trimethylammonium Chloride
Test system |
KFdes(L/kg) |
KF,ocdes(L/kg) |
1/n |
r2 |
data points |
Cranfield 164 soil |
6.61 x 103 |
179 x 103 |
1.04 |
0.858 |
10 |
Cranfield 277 soil |
2.41 x 103 |
89.3 x 103 |
0.85 |
0.971 |
10 |
Cranfield 299 soil |
13.8 x 103 |
476 x 103 |
1.04 |
0.874 |
10 |
SW sediment |
3.10 x 103 |
50.0 x 103 |
1.08 |
0.886 |
10 |
Tilburg sludge |
4.04 x 103 |
10.8 x 103 |
1.05 |
0.951 |
10 |
Description of key information
C22-Trimethylammonium Chloride adsorption isotherms could be described by the Freundlich equation. KF, ocads values were 19.8 x 103 L/kg (Cranfield 164 soil), 516 x 103 L/kg (Cranfield 277 soil), 52.8 x 103 L/kg (Cranfield 299 soil), 17.4 x 103 L/kg (SW sediment) and 0.95 x 103 L/kg (Tilburg sludge).
Key value for chemical safety assessment
Other adsorption coefficients
- Type:
- log Kp (solids-water in soil)
- Value in L/kg:
- 3.657
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in sediment)
- Value in L/kg:
- 3.165
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in suspended matter)
- Value in L/kg:
- 1.914
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in raw sewage sludge)
- Value in L/kg:
- 2.393
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in settled sewage sludge)
- Value in L/kg:
- 2.393
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in activated sewage sludge)
- Value in L/kg:
- 2.431
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in effluent sewage sludge)
- Value in L/kg:
- 2.431
- at the temperature of:
- 20 °C
Additional information
[14C]-C22 ATQ Adsorption Desorption test according OECD 106
Cationic surfactants do not only sorb via van der Waal forces but also by ionic interactions (e.g ion pair formation, cation exchange). So far no mechanistic model exists to estimate the sorption behaviour of these substances. Therefore measurements are warranted to address the sorption to solid phases reliably. Sorption was measured in three different soils, one sediment and one secondary sludge. The Freundlich isotherms for the different matrices are non-linear (1/n < 1). As the lowest tested concentration is used for the exposure assessment Table 5.4-1 below lists the Kd and Koc at that concentration which allows to judge the sorption behaviour without a calculation excerise using the Freundlich isotherm.
Table 5.4 Sorption behaviour of [14C]-C22 ATQ to different solid matrices
SOIL |
|
% OC |
|
% Clay |
|
CEC |
Kd (L/kg) |
|
Koc (L/kg) |
Cranfield 164 |
|
3.7 |
|
28 |
|
22.8 |
2028 |
|
|
|
|
3.7 |
|
28 |
|
22.8 |
1856 |
|
|
Cranfield 277 |
|
2.7 |
|
57 |
|
8.3 |
12326 |
|
|
|
|
2.7 |
|
37 |
|
8.3 |
17013 |
|
|
Cranfield 299 |
|
2.9 |
|
26 |
|
14.9 |
3670 |
|
|
|
|
2.9 |
|
26 |
|
14.9 |
5295 |
|
|
mean |
|
3.1 |
|
34 |
|
15.3 |
7031 |
|
226807 |
median |
|
2.9 |
|
28 |
|
14.9 |
4483 |
|
154569 |
SEDIMENT |
|
|
|
|
|
|
|
|
|
SW |
|
11.1 |
|
35 |
|
47.3 |
1178 |
|
|
|
|
11.1 |
|
35 |
|
47.3 |
2449 |
|
|
mean |
|
11.1 |
|
35 |
|
47.3 |
1814 |
|
29250 |
SLUDGE |
|
|
|
|
|
|
|
|
|
secondary (activated) |
|
39.0 |
|
64 |
|
129 |
267 |
|
|
|
|
39.0 |
|
64 |
|
129 |
281 |
|
|
mean |
|
39.0 |
|
64 |
|
129 |
274 |
|
731 |
The Koc values from the OECD 106 study were used in the Environmental exposure assessment of C20/22 ATQ carried out with the EUSES model. As EUSES assigns certain percentages of organic carbon (OC) to the different compartments, Kd values for EUSES were calculate from the available Koc as given in the table 5.4-2
Table 5.4-2 Recalculation of Sorption constants for C22 ATQ to values which can be used in the EUSES Exposure assessment
|
OECD106 results at 10 µg/L |
EUSES STANDARD VALUES %OC and Kd related to Koc |
|||
SOIL |
|
|
|
|
|
|
% OC |
Koc (L/kg) average |
% OC |
Kd (L/kg) EUSES |
EUSES Term for |
Cranfield 164 |
3.7 |
52486 |
|
|
|
Cranfield 277 |
2.7 |
543315 |
|
|
|
Cranfield 299 |
2.9 |
309138 |
|
|
|
mean |
3.1 |
226807 |
2 |
4536 |
SOIL |
SEDIMENT |
|
|
|
|
|
SW |
11.1 |
29258 |
5 |
1463 |
SEDIMENT |
SLUDGE |
|
|
|
|
|
secondary (activated) |
39.9 |
731 |
37 |
270 |
ACTIV. SLUDGE |
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