The 16 th IASTED International Conference on Modelling and Simulation 2005

SIMPLE MODEL FOR TURBULENT

BROWNIAN COAGULATION OF
POLYDISPERSE AEROSOLS

by
Ana Teresa Celada Murillo
Alejandro Salcido González

Instituto de Investigaciones Eléctricas,

México
 TOPICS

• INTRODUCTION

• MEAN FIELD COAGULATION

MODEL

• RESULTS

• CONCLUSIONS
 INTRODUCTION

AEROSOL
Suspension of fine particles, solid or liquid, in a gas

Nuclei mode
Environmental impacts:
(0.001– 0.1 µm)
• Adverse healt effects
Fine
• Weather changes Accumulation mode
• Degradation of visibility (0.1- 2.5 µm)
• Precursors of acid rain
Coarse ( > 2.5 µm )
 INTRODUCTION

diffusion
nucleation

coagulation

sedimentation
condensation
 COAGULATION
Process by which some of the aerosol particles collide with each
other and they join to form larger particles
Brownian motion (~ 0.001 a 1 µm)
Turbulent motion (~ 1 a 10 µm)
Differential sedimentation ( > 10 µm )

dn k ∞
Smoluchowsky (1917) =1 ∑ β ij ni n j − ∑ β ik n i nk
dt 2
i+ j = k i

• Monodisperse size • Only binary collisions

distribution
• These collisions conserve mass and
• All the particles are volume
spherical
• All collisions produce coagulation
 MEAN FIELD COAGULATION MODEL (MFC)
- Polydisperse size distribution - Only binary collisions, conserve
mass and volume
- Aerosol particles are spherical
- All collisions coagulation

200

150
βκ βk
βj
100
βi
=
50

0
0.001 0.01 0.02 0.03 0.04 0.08 0.16 0.32 0.64 1.28 2.56 5 10

Diameter intervals
MEAN FIELD COAGULATION MODEL (MFC)

• The probability that one collision takes place in the system.

• The probability that such collision involves particles of

particular intervals βi and βj

⎧⎪ ni n j if i = j
Pij = K ( ri , Di , r j , D j ,...) ⎨
⎪⎩ 2n i n j if i ≠ j

• The probability Qijk that such collision produces a particle

in a given interval βk
MEAN FIELD COAGULATION MODEL (MFC)

βk
=
βj
βi

dn k M M
= 1 ∑ Pij Qij k − ∑ P (1 − Q k )
ik ik
dt 2
i, j ≠ k i =1
MEAN FIELD COAGULATION MODEL (MFC)

K B = 4π ( ri + r j ) (Di + D j )

K = K B + KT

1/ 2
⎛ 8π ⎞
KT = ⎜ ⎟ ( ri + r j ) (w a 2 + w c 2 ) * ε c
⎝ 3 ⎠
 RESULTS
Simulation of brownian coagulation

Kim et al., 2003 Rooker and Davies, 1979

• NaCl aerosol • CaCO3 aerosol
• Diameters: 0.050, 0.115 µm • Diameter interval: 0.005 – 0.030 µm
• Duration: 1800 – 3000 s • Duration: 1800 s
• Sample time: 300 – 350 s. • Sample time: 300 - 400 s.
 SIMULATION OF BROWNIAN COAGULATION
Kim et al., 2003

1 0.050 µm 1 0.115 µm

0.8
0.8

0.6

N/No
N/No

0.6

0.4
0.4
0.2

0.2
0
0 400 800 1200 1600
0 1000 2000 3000
TIME (s)
TIME (s)

Experimental data MFC model - Brownian Kernel

 SIMULATION OF BROWNIAN COAGULATION
Rooker and Davies, 1979

C50 C90
1 1

0.9 0.8
N/No

N/No
0.8 0.6

0.7 0.4

0.6 0.2

0 400 800 1200 1600 2000 0 400 800 1200 1600 2000
TIME (s) TIME (s)

Experimental data MFC model - Brownian Kernel

SIMULATION OF TURBULENT BROWNIAN
COAGULATION

Okuyama et al., 1977

• Tobacco smog aerosol
• Constant temperature (25°C) and
pressure.
• Particle diameter: 0.700 µm
• Stirr speed : 600 and 1800 rpm
• Duration: 300 – 500 s
 SIMULATION OF TURBULENT BROWNIAN
COAGULATION

1 600 rpm 1
ε = 30,000 cm2 s-3 1800 rpm
0.8 0.8
ε = 810,000 cm2 s-3

0.6 0.6
N/No

N/No
εc = 1.0
0.4 0.4

0.2 0.2 εc = 3.5

0 0

0 100 200 300 400 500 0 100 200 300

TIME (s) TIME (s)

Experimental data MFC model - Turbulent Kernel by Kruis and Kusters (1997)
 CONCLUSIONS

• The Mean Field Coagulation model (MFC) simulates, in a

simple form, the coagulation of polydispersed aerosols.

• The simulation experiments showed that the MFC model

reproduces satisfactorily the experimental data of pure
brownian and brownian turbulent coagulation.

• The MFC model takes into account the polydisperse nature of

the aerosol. It is simulated with a probability function, Qijk,
that conserves the aerosol volume.
Thank you for your attention
 REFERENCES
• Kim D. S., Park S. H., Song Y. M., Kim D. H., Lee K. W. (2003).
Brownian coagulation of polydisperse aerosols in the transition
regime. Journal of Aerosol Science, Vol. 34(7):859-868.

• Kruis F. E., Kusters K. A. (1997). The collision rate of particles

in turbulent flow. Chem. Eng. Comm., Vol. 158:201-230.

• Okuyama K. Kousaka Y., Kida Yoshinori y Yoshida Tetsuo.

(1977). Turbulent coagulation of aerosols in a stirred tank.
Journal of Chemical Engineering of Japan, Vol. 10(2):142-147.

• Rooker S. J., Davies C. N. (1979). Measurement of the

coagulation rate of a high Knudsen number aerosol with
allowance for wall losses. Journal of Aerosol Science, Vol.
10:139-150.