Monte Carlo simulations of homogeneous nucleation and particle growth in the presence of background particles

Figures & data

Table 1. Values used for the simulation describing typical aerosol properties of a quasi-unary model, described by (Olenius and Riipinen, 2017).

Symbol	Designated property	Value
m1	Molecular mass	1.62 × 10^–25 kg
ps	Vapor pressure	5 × 10^–11 Pa
T	Temperature	280 K
vM	Molecular volume	1.085 × 10^–28 m^−3
γ	Surface tension	0.05 N m^–1
ρp	Particle density	1500 kg m^–3

Fig. 1. The supersaturation surplus $S-S_{\infty }$ for an initial supersaturation of $S_0={10}^5$ and $S_{\infty }=1$. The vertical lines designate the simulation times of 1 min and 1 hr, a total simulation time of 24 hr is presented.

Fig. 2. The nucleation rates for the three discussed nucleation theories for an initial supersaturation of $S_0={10}^5$. The vertical lines represent the simulation times of 1 min and 1 hr, a total simulation time of 24 hr is presented.

Fig. 3. The number concentration in dependency of the used nucleation theories are shown. The vertical lines represent the simulation times of 1 min and 1 hr, a total simulation time of 24 hr is presented.

Fig. 4. The PSDs resulting from the three different nucleation theories after a simulation time of 1 min for $S_0={10}^5$.

Fig. 5. The PSDs resulting from the three different nucleation theories after a simulation time of 1 hr for $S_0={10}^5$.

Fig. 6. The PSDs resulting from the three different nucleation theories after a simulation time of 24 hr for $S_0={10}^5$.

Fig. 7. The relative deviation of the total volume $V_{\text{tot}}$ [defined in Equation (11)] from the initial total volume $V_0$.

Fig. 8. The supersaturation in dependency of its initial value $S_0$ for the Girshick nucleation theory. The vertical lines represent the simulation times of 1 min and 1 hr, a total simulation time of 24 hr is presented.

Fig. 9. The number concentration in dependency of the initial supersaturation value $S_0$ for the Girshick nucleation theory. The vertical lines represent the simulation times of 1 min and 1 hr, a total simulation time of 24 hr is presented.

Olenius, T. and Riipinen, I. 2017. Molecular-resolution simulations of new particle formation. Evaluation of common assumptions made in describing nucleation in aerosol dynamics models. Aerosol Sci. Technol. 51, 397–408. doi:10.1080/02786826.2016.1262530.

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