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2022 - Emission and GasParticle Partitioning Characteristics of Nicotine in Aerosols For Electronic Cigarettes
2022 - Emission and GasParticle Partitioning Characteristics of Nicotine in Aerosols For Electronic Cigarettes
2022 - Emission and GasParticle Partitioning Characteristics of Nicotine in Aerosols For Electronic Cigarettes
org/crt Article
891 https://doi.org/10.1021/acs.chemrestox.2c00076
Chem. Res. Toxicol. 2022, 35, 890−897
Chemical Research in Toxicology pubs.acs.org/crt Article
ij MW Pi ,w MWi Pi , ∞ yzz
m vap, i = hm, iAheat jjjj zz
j Rg T R g T∞ zz
k {
i
−
(6)
where mvap,i (kg/s) is the vaporization rate of component i, hm,i (m/s)
is the convective mass-transfer coefficient of component i, MWi (kg/
mol) is the molar mass of component i, Rg [8.314 J/(mol·K)] is the
universal gas constant, Pi,w (Pa) is the partial pressure of component i
at the temperature of T, and Pi,∞ (0 Pa) is the partial pressure of
component i in the ambient air.
The partial pressure of component i at the temperature of T can be
obtained by Dalton’s law of partial pressure, as given in eq 7. Wherein,
the vapor pressures of PG and VG at different temperatures can be
calculated through Antoine equations provided by the National
Institute of Standards and Technology.29,30
Pi ,w = xiPi ,s (7)
where xi is the mole fraction of component i of the e-liquid in the
heating section and Pi,s (Pa) is the vapor pressure of component i at
the temperature of T.
The method of calculating the convective heat-transfer coefficient
for the cross flow over a circular cylinder was provided from
Churchill−Bernstein correlation.31 Based on the analogy theory, the
formula about the convective mass-transfer coefficient for the cross
ÄÅ É
flow over a circular cylinder can also be obtained.31
5/8Ñ4/5
0.62Re1/2Pr1/3 ÅÅÅÅ ij Re yz ÑÑÑÑ
Nu = 0.3 + Ä
ÅÅ ÉÑ1/4 ÅÅÅ1 + jj 282 000 zz ÑÑÑ
ÅÅ1 + 0.4 2/3 ÑÑÑ ÅÅÇ k { ÑÑÖ
ÅÅ ÑÑ
ÅÅÇ ( )
Pr ÑÑÖ
ÅÄ É
(8)
5/8Ñ4/5
0.62Re1/2Sc1/3 ÅÅÅÅ ij Re yz ÑÑÑÑ
Sh = 0.3 + Ä ÉÑ1/4 ÅÅÅ j
j z
z ÑÑ
ÅÅ
ÅÅ1 + 0.4 2/3 ÑÑÑ ÅÅÇ k 282 000 { ÑÑÑÖ
Figure 2. Schematic diagram of the atomization unit for a typical
ÅÅ ÑÑ
electronic cigarette. (A) Physical model. (B) Geometric structure and 1 +
ÅÅÇ ( ) ÑÑÖ
coordinate system. (Note: The red area represents the heating
Sc (9)
section, i.e., the winding position of the coil.)
where Nu (dimensionless) is the Nusselt number, Re (dimensionless)
is the Reynolds number, Pr (dimensionless) is the Prandtl number, Sh
(dimensionless) is the Sherwood number, and Sc (dimensionless) is
where C (kJ/°C) is the heat capacity of the heating section of the the Schmidt number. The expressions of the dimensionless numbers
wick, T (°C) is the average temperature of the heating section, t (s) is in eqs 8 and 9 are summarized in Table S1.
the heating time (i.e., puffing time), We (W) is the heating power of The total vaporization rates of e-liquids in the evaporation stage are
the coil, Qconv (W) is the thermal convection caused by the puffing equal to the sum of the evaporation rates for each component i.
behavior, Qcond (W) is the thermal conduction loss through both sides
of the heating section, Qlat (W) is the latent heat consumed by the m vap = ∑ mvap, i (10)
phase transition (i.e., vaporization) of e-liquids, and Qliq (W) is the
sensible heat contributing to the temperature rise of the heating When the average temperatures of the heating section reach the
section. boiling points of e-liquids, the vaporization rates of e-liquids can be
The expressions of the items in eq 1 are shown. calculated by the energy conservation equation.
Q conv = hAheat (T − T∞) (2) dM vap We − (Q conv + Q cond + Q liq)
ji i D y T − T∞ zyz
= m vap =
k 2 { Ltra z{
2
k
Q cond where Mvap (kg) is the total vaporization amounts of e-liquids during
(3) the puffing process.
Q lat = m vapΔhf,liq In the evaporation or boiling state, the vaporization rate of nicotine
(4) can be predicted by the following formula.
Q liq = m vapc p,liq,o(T − T∞) (5) m vap,nic = m vapαl,nicb (12)
2
where h [W/(m K)] is the convective heat-transfer coefficient, Aheat where mvap,nic (kg) is the vaporization rate of nicotine, αl,nic is the mass
(m2) is the surface area of the heating section, T∞ (°C) is the fraction of nicotine in the e-liquid, and b is the correction factor for
temperature of the puffing air (i.e., ambient temperature), λtra [W/(m the nicotine emission. A previous study shown that the nicotine
K)] is the thermal conductivity of the wick, Dw (m) is the diameter of emissions simulated by the lumped-parameter model were about 2
the wick, Ltra (m) is the length of the transportation section of the times the measured results.13 The value of b is 0.5 here.
wick, mvap (kg/s) is the vaporization rate of e-liquids, Δhf,liq (J/kg) is It is assumed that e-liquids are ideal solutions. The temperature-
the specific latent heat of e-liquids, and cp,liq,o [J/(kg K)] is the specific constituent phase diagram of the nonazeotropic mixed solutions
heat capacity of the fresh e-liquid transported from the tank. composed of PG and VG could be obtained based on Raoult’s law
When the transient temperature of an e-liquid is lower than its and Dalton’s law of partial pressures, as shown in Figure 3. According
boiling point, the e-liquid is in the evaporation state. The convective to the phase diagram, the initial boiling temperatures and the slipping
evaporation rates of each solvent i can be obtained by the following processes of the boiling points for the nonazeotropic solutions under
formula. different PG/VG composition conditions could be simulated.
892 https://doi.org/10.1021/acs.chemrestox.2c00076
Chem. Res. Toxicol. 2022, 35, 890−897
Chemical Research in Toxicology pubs.acs.org/crt Article
894 https://doi.org/10.1021/acs.chemrestox.2c00076
Chem. Res. Toxicol. 2022, 35, 890−897
Chemical Research in Toxicology pubs.acs.org/crt Article
phase. As a result, lower proportions of nicotine exist in the Introduction to the dimensionless numbers in the model
particulate matters. and compositions of e-liquids and the puffing top-
At a relatively low heating power (i.e., 8 W), the mass ography adopted in the simulation (PDF)
■
fraction of particle-phase nicotine in aerosols generated from E
e-liquids (0% PG + 100% VG) was obviously lower than that
from the other four kinds of e-liquids. When an appropriate AUTHOR INFORMATION
amount of volatile PG is added into E e-liquid (i.e., pure VG), Corresponding Author
the overall volatility of the mixed solution can be significantly Naiping Gao − School of Mechanical Engineering, Tongji
improved due to the significant differences in the saturation University, Shanghai 201804, China; Phone: 86-
pressures between PG and VG. Under the condition of a 13817847420; Email: gaonaiping@tongji.edu.cn; Fax: 86-
relatively low heating power, the aerosol mass concentrations 21-65983867
generated from pure VG-based e-liquids (i.e., E e-liquid) are
significantly lower than that from the other four e-liquids. It Authors
may not be conducive to the formation of aerosol particles Jinlu Wu − School of Mechanical Engineering, Tongji
through the condensation of vapor. For instance, the aerosol University, Shanghai 201804, China; orcid.org/0000-
mass concentrations generated from A, B, C, D, and E e-liquids 0002-8139-4704
at 8 W were 2.04 × 108, 1.87 × 108, 1.65 × 108, 1.33 × 108, and Yihan Gao − Shanghai New Tobacco Product Research
7.82 × 107 μg/m3, respectively. In addition, the nicotine Institute, Shanghai 201315, China
content in vapor produced from a pure VG-based e-liquid (i.e., Dian Li − China Tobacco Guangxi Industrial Co., Ltd.,
E e-liquid) is relatively low. A lower mass concentration of Nanning 530001, China
nicotine in vapor and a decrease in the number of aerosol Complete contact information is available at:
particles are not beneficial for the accumulation of nicotine in https://pubs.acs.org/10.1021/acs.chemrestox.2c00076
the droplets. Therefore, the mass fraction of particle-phase
nicotine in aerosols produced from E e-liquid at a lower Notes
heating power (i.e., 8 W) was obviously less than that from the The authors declare no competing financial interest.
■
other four e-liquids.
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Chem. Res. Toxicol. 2022, 35, 890−897