It has been well established that the SARS-CoV-2 virus responsible for the Covid-19 pandemic transmits via respiratory droplets that are exhaled during talking, coughing, or sneezing.
11. World Health Organization, “Modes of transmission of virus causing Covid-19: Implications for IPC precaution recommendations: Scientific brief, 27 March 2020,” Technical Report, World Health Organization, 2020. Each act of expiration corresponds to different droplet sizes and myriad trajectories for the droplets embedded in the corresponding jets. Wells
2,32. W. Wells, “On air-borne infection: Study II. Droplets and droplet nuclei,” Am. J. Epidemiol. 20, 611–618 (1934). https://doi.org/10.1093/oxfordjournals.aje.a1180973. W. F. Wells, in Airborne Contagion and Air Hygiene. An Ecological Study of Droplet Infections (JAMA, 1955), Vol. 159, p. 90. https://doi.org/10.1001/jama.1955.02960180092033 was the first to investigate the role of respiratory droplets in respiratory disease transmission. Expelled respiratory droplets from an average human being contain dissolved salt with a mass fraction of about 0.01 as well as various proteins and pathogens in varying concentrations.
4,54. Y. Chartier and C. Pessoa-Silva, Natural Ventilation for Infection Control in Health-Care Settings (World Health Organization, 2009).5. X. Xie, Y. Li, A. Chwang, P. Ho, and W. Seto, “How far droplets can move in indoor environments—Revisiting the wells evaporation-falling curve,” Indoor air 17, 211–225 (2007). https://doi.org/10.1111/j.1600-0668.2007.00469.x In this paper, to model the outbreaks, we extensively use the evaporation and settling dynamics of NaCl–water droplets as a surrogate model of the infectious droplets. Stilianakis and Drossinos
6,76. N. I. Stilianakis and Y. Drossinos, “Dynamics of infectious disease transmission by inhalable respiratory droplets,” J. R. Soc., Interface 7, 1355–1366 (2010). https://doi.org/10.1098/rsif.2010.00267. M. Robinson, N. I. Stilianakis, and Y. Drossinos, “Spatial dynamics of airborne infectious diseases,” J. Theor. Biol. 297, 116–126 (2012). https://doi.org/10.1016/j.jtbi.2011.12.015 included respiratory droplets in their epidemiological models. However, they neglected the droplet evaporation dynamics and assumed that characteristic post-evaporation droplet diameters are half of the pre-evaporation droplet diameters based on Nicas
et al.88. M. Nicas, W. W. Nazaroff, and A. Hubbard, “Toward understanding the risk of secondary airborne infection: Emission of respirable pathogens,” J. Occup. Environ. Hyg. 2, 143–154 (2005). https://doi.org/10.1080/15459620590918466 In the context of the present Covid-19 pandemic, while the role of droplet nuclei and corresponding “aerosol transmission” route are not clear,
11. World Health Organization, “Modes of transmission of virus causing Covid-19: Implications for IPC precaution recommendations: Scientific brief, 27 March 2020,” Technical Report, World Health Organization, 2020. it is widely accepted that respiratory droplets are definitely a dominant vector in transmitting the SARS-CoV-2 virus. This merits a detailed investigation of the evaporation dynamics of respiratory droplets and development of a pandemic model that is explicitly dependent on the respiratory droplet characteristics. As such, the evaporation mechanism of respiratory droplets are laced with complexities stemming from droplet aerodynamics, initial droplet cooling, heat transfer, mass transfer of the solvent and solute, respectively, and finally, crystallization of the solute—a phenomenon known as efflorescence. All these are strongly affected by ambient conditions in which the droplet evaporates. These urgently necessitate a model based on first principles, which connects the detailed evaporation dynamics of respiratory droplets with the pandemic evolution equations. In this paper, a model for the infection rate constant based on collision theory incorporates the evaporation physics of respiratory droplets,
ab initio.
The droplet evaporation model thus developed is first validated with new experimental results obtained from droplets observed to evaporate in an acoustic levitator. While very interesting insights can be obtained from sessile droplet evaporation,
9–139. R. D. Deegan, O. Bakajin, T. F. Dupont, G. Huber, S. R. Nagel, and T. A. Witten, “Capillary flow as the cause of ring stains from dried liquid drops,” Nature 389, 827–829 (1997). https://doi.org/10.1038/3982710. J. M. Stauber, S. K. Wilson, B. R. Duffy, and K. Sefiane, “On the lifetimes of evaporating droplets with related initial and receding contact angles,” Phys. Fluids 27, 122101 (2015). https://doi.org/10.1063/1.493523211. M. Ranjbaran and A. K. Datta, “Retention and infiltration of bacteria on a plant leaf driven by surface water evaporation,” Phys. Fluids 31, 112106 (2019). https://doi.org/10.1063/1.512612712. P. Kabi, S. Basu, A. Sanyal, and S. Chaudhuri, “Precision stacking of nanoparticle laden sessile droplets to control solute deposit morphology,” Appl. Phys. Lett. 106, 063101 (2015). https://doi.org/10.1063/1.490794513. A. Shaikeea, S. Basu, S. Hatte, and L. Bansal, “Insights into vapor-mediated interactions in a nanocolloidal droplet system: Evaporation dynamics and affects on self-assembly topologies on macro- to microscales,” Langmuir 32, 10334–10343 (2016). https://doi.org/10.1021/acs.langmuir.6b03024 after an expiratory event, the floating droplet evaporates in the absence of surface contact. Thus, the levitated droplets are similar to the droplets in atmosphere
14–1614. W. A. Sirignano, Fluid Dynamics and Transport of Droplet and Sprays (Cambridge University Press, 2010).15. P. Weiss, D. W. Meyer, and P. Jenny, “Evaporating droplets in turbulence studied with statistically stationary homogeneous direct numerical simulation,” Phys. Fluids 30, 083304 (2018). https://doi.org/10.1063/1.504727016. L. Bourouiba, E. Dehandschoewercker, and J. W. Bush, “Violent expiratory events: On coughing and sneezing,” J. Fluid Mech. 745, 537–563 (2014). https://doi.org/10.1017/jfm.2014.88 compared to their sessile counterpart. Furthermore, the desiccation dynamics necessitates a contact-less environment for the droplet. Alongside a droplet evaporation model, a chemical kinetics based reaction mechanism model is developed with final rate equations similar to that yielded by the SIR (Susceptible, Infectious, Recovered) model.
1717. W. O. Kermack and A. G. McKendrick, “A contribution to the mathematical theory of epidemics,” Proc. R. Soc. London, Ser. A 115, 700–721 (1927). https://doi.org/10.1098/rspa.1927.0118 In general, the resemblance of the equations modeling kinetics to those of population dynamics is well known. However, the rigorous framework (analytical as well as computational) of chemical reaction mechanisms that can at present handle few thousands of species and tens of thousands of elementary reactions seems particularly attractive.
1818. C. K. Law, Combustion Physics (Cambridge University Press, 2006). This could be utilized toward adding further granularity in the pandemic model, if required large mechanisms can be reduced systematically with mechanism reduction techniques.
1919. T. Lu and C. K. Law, “A directed relation graph method for mechanism reduction,” Proc. Combust. Inst. 30, 1333–1341 (2005). https://doi.org/10.1016/j.proci.2004.08.145 Furthermore, it can be integrated into advection-diffusion-reaction equations, and their moments could be solved using appropriate moment-closure methods.
20,2120. N. Peters, Turbulent Combustion, Cambridge Monographs on Mechanics (Cambridge University Press, 2000).21. S. De, A. K. Agarwal, S. Chaudhuri, and S. Sen, Modeling and Simulation of Turbulent Combustion (Springer, 2018). However, for any reaction mechanism, the key inputs are the parameters for the reaction rate constant. In our case, one rate constant is shown to be a strong function of the droplet lifetime. Therefore, next, the droplet lifetime is evaluated over a wide range of conditions relevant to the ongoing Covid-19 pandemic, and the growth rate exponents (eigenvalues) are presented. The results do not suggest that factors not considered in this paper play a secondary role in determining the outbreak spread. Rather, this paper aims to establish the mathematical connection between the pandemic and the respiratory droplet dynamics using a well defined framework rooted in physical sciences. This paper is arranged as follows: first, we provide details of the experiments used to obtain the evaporation characteristics of the water and salt solution droplets. This is followed by the reaction mechanism model that yields the equations for the growth rate and the infection rate constant of the outbreaks. This infection rate constant provides the connection and motivation for modeling the droplet evaporation time scales. Next, to evaluate the rate constant, detailed modeling of the droplet evaporation is presented. This is followed by results and discussions. Finally, we summarize the approach and findings in Sec. .
III. A REACTION MECHANISM TO MODEL THE PANDEMIC
In this section, we model the infection spread rate using the collision theory of reaction rates, well known in chemical kinetics.
1818. C. K. Law, Combustion Physics (Cambridge University Press, 2006). The connection between droplets and the outbreak will be established later. In this model, we adopt the following nomenclature:
P represents a Covid-19 positive person infecting a healthy person(s) susceptible to infection. The healthy person is denoted by
H (who is initially Covid-19 negative), and
R represents a person who has recovered from Covid-19 infection and hence assumed to be immune from further infection, while
X represents a person who dies due to Covid-19 infection. We consider one-dimensional head on collisions, and the schematic of a collision volume is shown in
Fig. 2. Here, one healthy person denoted by
H with the effective diameter
σH is approached by a Covid-19 positive person
P of the same effective diameter with an average relative velocity
.
σH can be considered as the diameter of the hemispherical volume of air that is drawn by
H during each act of inhalation, which comes out to be approximately 0.124 m.
It is widely believed that Covid-19 spreads by respiratory droplets
2424. CDC, How coronavirus spreads, https://www.cdc.gov/coronavirus/2019-ncov/prevent-getting-sick/how-covid-sprea, 2020; accessed March 29, 2020. resulting from breathing, coughing, sneezing, or talking. Thus, we assume that a volume in front of
P is surrounded by a cloud of infectious droplets exhaled by
P. The droplet cloud is denoted by
D, and the maximum cloud diameter is given by
σD. Clearly,
σD should be determined by the smaller of evaporation or settling time of the droplets ejected by
P, the horizontal component of the velocity with which the droplets traverse, as well as the dispersion characteristics. In each such cloud, we assume that there are numerous droplets containing the active Covid-19 virus. The velocity of this droplet cloud relative to
H is given by
. In such a scenario, we assume that in a unit volume, there are
nP infected persons and
nH healthy persons. For a collision to be possible, the maximum separation distance between the centers of
D (the droplet cloud) and
H is given by
The collision volume—the volume of the cylinder within which a collision between the droplet cloud of
P and air collection volume of
H should lie for the collision to occur in a unit time—is given by
. Thus, the number of collisions between
H and the droplet cloud
D of
P, per unit time per unit volume, that will trigger infections, is given by
where
nP and
nH represent the number of
P and
H, respectively. Now, given that each collision between
P (basically, its droplet cloud
D) and
H results in conversion of the healthy individual to the infected individual, we can write
Now, we can define [
P] =
nP/
ntotal and [
H] =
nH/
ntotal, whereas
ntotal is the total number of people those who are capable of transmitting the infection, as well as accepting the infection per unit volume, in that given volume. This implies
where
Here,
ω is the reaction rate. Furthermore, if we assume that the mortality rate is about 3% for the ongoing Covid-19 pandemic, we can convert the kinetics of infection spread to a complete reaction mechanism given by the following:
It is to be recognized that H does not become P immediately on contact with the droplet cloud. The virus must proliferate for a finite time after contact to render a person infectious. A person who has just come in contact with the virus and does not have the capability to infect others yet is denoted by P*. k1, k2, and k3 are the rate constants of reactions [R1], [R2], and [R3], respectively. All rate constants must have dimensions of [T]−1 (inverse of time). Clearly, k1 > k3 for the rapid outbreak to occur. It is to be recognized that this framework implies that k1, the rate constant of the second order elementary reaction [R1] resulting from collisions between the droplet cloud from an infectious individual and healthy individual, is purely controlled by physical effects. The rate constants k2 and k3 of the other two first order elementary reactions [R2] and [R3] are essentially decay rates emerging from the time by which the respective concentrations reach e−1 levels of the initial concentration for the respective reactions. Thus, k2 and k3 are purely determined by interaction between the virus and the human body. We know that the approximate recovery time from the Covid-19 disease is about 14 days. Thus, we can assume k3 = 1/14 day−1. We also assume the latency period (not incubation period) to be 1 day; hence, k2 = 1 day−1. Given the importance of k1 in determining the outbreak characteristics, we will refer to k1 as the infection rate constant. The major contribution of this work is imparting a rigorous physical interpretation to k1 and calculating it.
Using Eq.
(4), we can write the system of ODEs for
d[
P]/
dt and
d[
P*]/
dt as
In this paper, we are interested in modeling the initial phases of the outbreaks where [
H] ≫ [
P]. Hence, we can safely assume [
H] ≈ [
H]
0, i.e., the concentration of healthy people remains approximately constant during the early phase of the outbreak and is equal to the initial concentration, which is very close to unity at
t = 0, i.e., at the onset of the outbreak. The time of the beginning of the outbreak denoted by
t = 0 for a particular location can be assumed to be the day when the number of Covid-19 positive persons equaled 10. [
P]
0 is [
P] at
t = 0. Then, [
P] can be solved as an eigenvalue problem and is given by
C1 and
C2 are constants to be determined from the eigenvectors and the initial conditions [
P]
0 and
.
λ1,2 are the eigenvalues. These can be termed growth parameters and are given by
By Eq.
(5),
. As mentioned before,
k2 = 1 day
−1 and
k3 = 1/14 day
−1, which yields
. If
k2 → ∞, i.e., a healthy person becomes infectious immediately on contact with an infectious person,
λ1 →
k1 −
k3.
Clearly, this model does not yet account for the preventive measures such as “social distancing,” “quarantining” after contact tracing, and population wide usage of masks. We will call this “social enforcement.” However, it can be included by accounting for the time variation in [
H]. Social enforcement measures reduce the concentration of healthy, susceptible individuals from [
H0] to [
HSE] where the concentration of healthy population susceptible to infection after implementing strict social distancing (at time
t =
tSE) [
HSE] < [
H0]. In the case of social enforcement, [
P] will be given by
Here, [
P] = [
P]
SE at
t =
tSE and
λ1,SE,
λ2,SE are the eigenvalues from Eq.
(6) with [
H] = [
HSE].
k1, the infection rate constant, remains to be completely determined. It is to be recognized that two of the key inputs of
k1 are
σDH and
VDH since
by Eq.
(5). As already mentioned,
σH is the diameter of the hemisphere from which breathable air is inhaled.
σD is the diameter of the droplet cloud. The aerodynamics of the respiratory droplets needs to be analyzed to evaluate these quantities.
IV. MODELING AERODYNAMICS OF RESPIRATORY DROPLETS
The droplets ejected during respiratory events, such as sneezing and coughing, co-follow the volume of air exhaled during the event. Studies have confirmed that due to entrainment, the exhaled air volume grows in diameter, while its kinetic energy decays with time. Specifically, Bourouiba
et al.1616. L. Bourouiba, E. Dehandschoewercker, and J. W. Bush, “Violent expiratory events: On coughing and sneezing,” J. Fluid Mech. 745, 537–563 (2014). https://doi.org/10.1017/jfm.2014.88 showed that initially, for a short duration, the droplets evolve inside a turbulent jet, while in later stages, the jet transitions to a puff. Recognizing that the ejected droplets during the respiratory event is surrounded by this dynamically evolving air volume and that the motion of the droplets will be strongly coupled due to the aerodynamic drag, we first model the surrounding air in two parts using the analytical results of the turbulent jet and puff, respectively. The axial location, axial velocity, and radial spread of a transient turbulent jet and puff can be expressed, respectively, as
25,2625. N. Abani and R. D. Reitz, “Unsteady turbulent round jets and vortex motion,” Phys. Fluids 19, 125102 (2007). https://doi.org/10.1063/1.282191026. B. Cushman-Roisin, Environmental Fluid Mechanics (John Wiley & Sons, Inc., 2008).and
where subscripts
j and
pf denote the jet and puff, respectively.
R0 and
U0 are the radius and axial velocities at a distance
x0.
K is a characteristic constant for the turbulent jet and is reported to be 0.457.
2525. N. Abani and R. D. Reitz, “Unsteady turbulent round jets and vortex motion,” Phys. Fluids 19, 125102 (2007). https://doi.org/10.1063/1.2821910 At the inception of the respiratory event (
t = 0), the jet is assumed to have a velocity
Uj,0 = 10 m/s and a radius
Rj,0 = 14 mm—the average radius of human mouth. The characteristic constants for a puff are
a ≈ 2.25 and
m = (
xp,0a)/(3
Rp,0).
2626. B. Cushman-Roisin, Environmental Fluid Mechanics (John Wiley & Sons, Inc., 2008). Since the continuous ejection of air from the mouth lasts only for the duration of a single respiratory event, the jet behavior persists only for this period and beyond which the puff behavior is observed. The average duration of such events is roughly 1 s.
2727. Z. Han, W. Weng, and Q. Huang, “Characterizations of particle size distribution of the droplets exhaled by sneeze,” J. R. Soc., Interface 10, 20130560 (2013). https://doi.org/10.1098/rsif.2013.0560 Hence, the velocity and the radial spread of the air surrounding the exhaled droplets will be
The horizontal displacement (
Xp) of the exhaled droplet and its instantaneous velocity (
Up) due to the drag can be solved with
1414. W. A. Sirignano, Fluid Dynamics and Transport of Droplet and Sprays (Cambridge University Press, 2010).where
Rs is instantaneous radius of the droplet,
ρv and
ρl are gas phase and liquid phase densities,
μg is gas phase dynamic viscosity, and
CD is the drag coefficient, which can be taken as 24/
Rep for the gas phase Reynolds number,
Rep = (2
ρv|
Ug −
Up|
Rs)/
μg < 30.
1414. W. A. Sirignano, Fluid Dynamics and Transport of Droplet and Sprays (Cambridge University Press, 2010). As it will be stated later,
Rep for the respiratory droplets were found to be mostly less than 0.1.
By solving Eqs.
(10)–(13) over the droplet lifetime,
τ, the axial distance traveled by the droplets,
Xp, can be evaluated. The average velocity of the droplet cloud relative to
P is
VD,P =
Xp/
τ. The diameter of the droplet cloud ejected by
P can be approximated as twice the radial spread of the exhaled air,
σD = 2
Rg(
t =
τ). It is to be recognized that while the above equations are analytically tractable, given the complexities of the associated turbulent jet/puff, a detailed description of the motion of the droplets necessitates time resolved Computational Fluid Dynamics (CFD) simulations in three dimensions. This has been recently reported in Ref.
2828. T. Dbouk and D. Drikakis, “On coughing and airborne droplet transmission to humans,” Phys. Fluids 32, 053310 (2020). https://doi.org/10.1063/5.0011960, which simulated dispersion of water droplets using a fully coupled Eulerian–Lagrangian technique including the wind effects. In this paper, we worked with salt solution droplets, accounting for salt crystallization, but did not include wind effects to retain analytical tractability. Nevertheless, the results presented in Subsection are qualitatively consistent with the CFD results.
Due to evaporation or settling, the droplet is present only for a short time
τ after it has been ejected. Therefore, the steady state
k1 can be defined as
Just like in collision theory, not all molecules are energetic enough to effect reactions; in our case, the droplet cloud is not always present. The last fraction (
τ/
tc) is the probability that the droplet cloud with the average diameter
σD is present.
tc is the average time period between two vigorous expiratory events.
VDH = (
VD,P +
VP) +
VH. We can assume
VP =
VH. It is thus apparent that
τ appears in
σDH,
VDH, and in the last fraction in Eq.
(14), thereby emerging as a critical parameter of the entire pandemic dynamics. Hence,
τ merits a detailed physical understanding. Given the composition of the respiratory droplets, modeling
τ is highly non-trivial and is taken up in Sec. .
V. MODELING RESPIRATORY DROPLET EVAPORATION
It is well documented in the literature that an average human exhales droplets (consisting of water, salt, proteins, and virus/bacteria) in the range of 1
µm–2000
µm.
5,29,305. X. Xie, Y. Li, A. Chwang, P. Ho, and W. Seto, “How far droplets can move in indoor environments—Revisiting the wells evaporation-falling curve,” Indoor air 17, 211–225 (2007). https://doi.org/10.1111/j.1600-0668.2007.00469.x29. J. Duguid, “The numbers and the sites of origin of the droplets expelled during expiratory activities,” Edinburgh Med. J. 52, 385 (1945).30. X. Xie, Y. Li, H. Sun, and L. Liu, “Exhaled droplets due to talking and coughing,” J. R. Soc., Interface 6, S703–S714 (2009). https://doi.org/10.1098/rsif.2009.0388.focus In this section, we offer a detailed exposition of the evaporation dynamics of such droplets as ejected during the course of breathing, talking, sneezing, or coughing.
The small droplets (<2
µm–3
µm) have a very short evaporation timescale. This implies that these droplets evaporate quickly (<1 s) after being ejected. However, the same conclusion does not hold for slightly larger droplets ejected in the form of cloud (>5
µm). These droplets exhibit longer evaporation time, leading to increased chances of transmission of the droplet laden viruses. In particular, when inhaled, these droplets enable quick and effective transport of the virus directly to the lungs airways causing a higher probability of infection. In general, the smaller droplets (<30
µm) have low Stokes number, thereby allowing them to float in ambient air without the propensity to settle down. For larger droplets (>100
µm), the settling timescale is very small (∼0.5 s). In effect, based on the diameter of the exhaled droplets, there are three distinct possibilities:
| • | Small droplets (<5 µm) evaporate within a fraction of second. |
| • | Large droplets (>100 µm) settle within a small time frame (<0.5 s), limiting the radius of infection. |
| • | Intermediate droplets (∼30 µm) show the highest probability of infection due to a slightly longer evaporation lifetime and low Stokes number. |
In this work, we particularly focus our attention to the modeling of droplets over a large range of diameters from 1
µm to 100
µm. Based on the available literature, we assume that the droplets exhaled during breathing are at an initial temperature of 30 °C.
3131. G. E. Carpagnano, M. P. Foschino-Barbaro, C. Crocetta, D. Lacedonia, V. Saliani, L. D. Zoppo, and P. J. Barnes, “Validation of the exhaled breath temperature measure: Reference values in healthy subjects,” Chest 151, 855–860 (2017). https://doi.org/10.1016/j.chest.2016.11.013 The ambient condition, however, vary strongly with geographical and seasonal changes, etc. Hence, in the following, we conduct a parametric study to determine the droplet lifetime across a large variation of temperature and relative humidity conditions. The droplet evaporation physics is complicated by the presence of non-volatile salts (predominantly NaCl) as present in our saliva.
44. Y. Chartier and C. Pessoa-Silva, Natural Ventilation for Infection Control in Health-Care Settings (World Health Organization, 2009). We would also look into simultaneous desiccation of the solvent and crystallization of such salts Subsections and . Once exhaled and encountering ambience, the droplet will evaporate as it undergoes simultaneous heat and mass transfer.
A. Evaporation
For the modeling purpose, the exhaled droplets are assumed to evaporate in a quiescent environment at a fixed ambient temperature and relative humidity. In reality, during coughing, talking, or sneezing, the droplets are exhaled in a turbulent jet/puff.
1616. L. Bourouiba, E. Dehandschoewercker, and J. W. Bush, “Violent expiratory events: On coughing and sneezing,” J. Fluid Mech. 745, 537–563 (2014). https://doi.org/10.1017/jfm.2014.88 However, as shown in Eqs.
(10) and
(11), the puff rapidly decelerates due to entrainment and lack of sustained momentum source, rendering the average
VD,P to be less than 1% of the initial velocity. Furthermore, since the Prandtl number, defined as ratio of kinematic viscosity and thermal diffusivity, is approximately unity (
Pr =
ν/
α ≈ 0.71) for air, we can safely assume that the temperature and relative humidity that the droplets in the puff experience are on average very close to that of the ambient. At the initial stages, the puff will indeed be slightly affected by buoyancy, which will influence droplet cooling and evaporation dynamics. Quantifying these effects accurately, merit separate studies, see for e.g., Ref.
3232. R. Narasimha, S. S. Diwan, S. Duvvuri, K. R. Sreenivas, and G. S. Bhat, “Laboratory simulations show diabatic heating drives cumulus-cloud evolution and entrainment,” Proc. Natl. Acad. Sci. U. S. A. 108, 16164–16169 (2011). https://doi.org/10.1073/pnas.1112281108 for buoyant clouds. In a higher dimensional model, these could be incorporated. Nonetheless, the evaporation rate of the droplet is driven by the transport of water vapor from the droplet surface to the ambient far field. Assuming the quasi-steady state condition, the evaporation mass flux can be written as
Here,
ṁ1 is the rate of change of the droplet water mass due to evaporation,
Rs is the instantaneous droplet radius,
ρv is the density of water vapor,
Dv is the binary diffusivity of water vapor in air, and
αg is the thermal diffusivity of surrounding air.
BM = (
Y1,s −
Y1,∞)/(1 −
Y1,s) and
BT =
Cp,l(
Ts −
T∞)/
hfg are the Spalding mass transfer and heat transfer numbers, respectively. Here,
Y1 is the mass fraction of water vapor, while subscripts
s and ∞ denote the location at the droplet surface and at the far field, respectively. The numerical subscripts 1, 2, and 3 will denote water, air, and salt, respectively.
Cp,l and
hfg are the specific heat and specific latent heat of vaporization of the droplet liquid. For the pure water droplet, the vapor at the droplet surface can be assumed to be at the saturated state. However, as indicated earlier, the exhaled droplets during talking, coughing, or sneezing are not necessarily pure water; rather, they contain plethora of dissolved substances.
55. X. Xie, Y. Li, A. Chwang, P. Ho, and W. Seto, “How far droplets can move in indoor environments—Revisiting the wells evaporation-falling curve,” Indoor air 17, 211–225 (2007). https://doi.org/10.1111/j.1600-0668.2007.00469.x The existence of these dissolved non-volatile substances, henceforth denoted as solute, significantly affects the evaporation of these droplets by suppressing the vapor pressure at the droplet surface. The modified vapor pressure at the droplet surface for binary solution can be expressed by Raoult’s Law,
Pvap(
Ts,
χ1,s) =
χ1,sPsat(
Ts), where
χ1,s is the mole-fraction of the evaporating solvent (here water) at the droplet surface in the liquid phase
1414. W. A. Sirignano, Fluid Dynamics and Transport of Droplet and Sprays (Cambridge University Press, 2010). and
χ1,s = 1 −
χ3,s. The far field vapor concentration, on the other hand, is related to the relative humidity of the ambient. Considering the effects of Raoult’s law and relative humidity, the vapor concentrations at the droplet surface and at the far field can be expressed as
and
denote the molecular weights of water and air, respectively. For evaporation, the droplet requires latent heat, which is provided by the droplet’s internal energy and surrounding ambient. It has been verified that the thermal gradient in the liquid phase is rather small. Therefore, neglecting the internal thermal gradients, the energy balance is given by
where
Ts is instantaneous droplet temperature,
and
are the instantaneous mass and surface area of the droplet,
ρl and
el are the density and specific internal energy of the binary mixture of salt (if present) and water, and
kg is the conductivity of gas surrounding the droplet.
is the thermal gradient at the droplet surface and can be approximated as (
Ts −
T∞)/
Rs, which is identical to convective heat transfer for a sphere with a Nusselt number of 2. As such, including aerodynamic effects, the Nusselt number is given by
. The droplet Reynolds number,
Rep, was observed to be mostly less than 0.1, and as such, the aerodynamic enhancement of the Nusselt number, i.e., the second term in the right-hand side, is ignored.
B. Crystallization
Evaporative loss of water leads to an increase in the salt concentration in the droplet with time. As shown before,
Pvap(
Ts,
χ1,s) is a function of the salt concentration in the droplet, which thus must be modeled using the species balance equation, as shown in the following equation:
Here,
Y3 is the dissolved solute (salt) mass fraction in the droplet.
ṁ3,out, which represents the rate at which solute (salt) mass leaves the solution due to crystallization, is modeled below. Clearly, Eq.
(18) shows that as water leaves the droplet,
Y3 increases. When
Y3 is sufficiently large such that the supersaturation ratio
S =
Y3/
Y3,c exceeds unity, crystallization begins. Here, we use
Y3,c = 0.393 based on the efflorescent concentration of 648 g/l reported for NaCl–water droplets in Ref.
3333. F. Gregson, J. Robinson, R. Miles, C. Royall, and J. Reid, “Drying kinetics of salt solution droplets: Water evaporation rates and crystallization,” J. Phys. Chem. B 123, 266–276 (2018). https://doi.org/10.1021/acs.jpcb.8b09584. The growth rate of the crystal could be modeled using a simplified rate equation from
34,3534. A. Naillon, P. Duru, M. Marcoux, and M. Prat, “Evaporation with sodium chloride crystallization in a capillary tube,” J. Cryst. Growth 422, 52–61 (2015). https://doi.org/10.1016/j.jcrysgro.2015.04.01035. H. Derluyn, “Salt transport and crystallization in porous limestone: Neutron-x-ray imaging and poromechanical modeling,” Ph.D. thesis, ETH Zurich, 2012.Here,
l is the crystal length. Following Ref.
3535. H. Derluyn, “Salt transport and crystallization in porous limestone: Neutron-x-ray imaging and poromechanical modeling,” Ph.D. thesis, ETH Zurich, 2012., for NaCl, we find the constant
Ccr = 1.14 × 10
4 m/s, the activation energy
Ea = 58 180 J/mol, and constant
gcr = 1. Using this, the rate of change of the crystal mass, which equals
ṁ3,out, is given by
3535. H. Derluyn, “Salt transport and crystallization in porous limestone: Neutron-x-ray imaging and poromechanical modeling,” Ph.D. thesis, ETH Zurich, 2012.We note that while crystallization process could involve complex kinetics of solute, solvent, and ions; a well-studied
3535. H. Derluyn, “Salt transport and crystallization in porous limestone: Neutron-x-ray imaging and poromechanical modeling,” Ph.D. thesis, ETH Zurich, 2012. single-step crystallization kinetics has been used here for tractability. It will be shown that this model is able to predict the experimentally studied droplet lifetime reasonably well.
The governing equations [Eqs.
(15)–(20)] manifest that several physical mechanisms are coupled during the evaporation process. For
Ts,0 >
T∞, the droplet undergoes rapid cooling from its initial value. The droplet temperature, however, should eventually reach a steady state limit (wet bulb). This limit is such that the droplet surface temperature will be lower than the ambient, implying a positive temperature gradient or heat input. The heat subsequently transferred from the ambient to the droplet surface after attaining the wet-bulb limit is used completely for evaporating the drop without any change in sensible enthalpy. For a droplet with pure water, i.e., no dissolved non-volatile content, the mole-fraction of the solvent at the surface remains constant at 100%, and at the limit of steady state, the droplet evaporation can be written in terms of the well-known
D2 law,
14,1814. W. A. Sirignano, Fluid Dynamics and Transport of Droplet and Sprays (Cambridge University Press, 2010).18. C. K. Law, Combustion Physics (Cambridge University Press, 2006).where
However, for a droplet with the binary solution, the evaporation becomes strongly dependent on the solvent (or solute) mole-fraction, which reduces (or increases) with evaporative mass loss. The transient analysis, thus, becomes critically important in determining the evolution of the droplet surface temperature and instantaneous droplet size. During evaporation, the mole-fraction of the solute increases and attains a critical super-saturation limit, which triggers precipitation. The precipitation and accompanied crystallization dynamics, essentially, reduce the solute mass dissolved the in liquid phase, leading to a momentary decrease in its mole-fraction. This, in turn, increases the evaporation rate as mandated by Raoult’s law, which subsequently increases the solute concentration. These competing mechanisms control evaporation at the latter stages of the droplet lifetime. At a certain point, due to continuous evaporation, the liquid mass completely depletes and evaporation stops. The droplet after complete desiccation consists only of salt crystals, probably encapsulating the viruses and rendering them inactive. If the SARS-CoV-2 virus would remain active within the salt crystal, also known as droplet nucleus or aerosol, Covid-19 could spread by aerosol transmission in addition to that by droplets. In this paper, we focus on infection spread exclusive by respiratory droplets since the role of aerosols is not clear for transmission of Covid-19.
Respiratory flow ejected by human beings consists of a polydisperse collection of droplets. In this paper, we have presented a model for the early phases of a Covid-19 like pandemic based on the aerodynamics and evaporation characteristics of respiratory droplets. The model and its inter-dependencies on the different physical principles/sub-models are summarized in
Fig. 7. To our knowledge, this is the first model that utilizes the structure of a chemical reaction mechanism to connect the pandemic evolution equations with respiratory droplet lifetime by first principles modeling of the reaction rate constant. However, it must be recognized that the model assumes conditions where transmission occurs solely due to inhalation of infected respiratory droplets alongside many other simplifying assumptions. The evolution of the droplets is characterized by a complex interaction of aerodynamics, evaporation thermodynamics, and crystallization kinetics. As such, after being ejected, smaller droplets attain the wet-bulb temperature corresponding to the local ambience and begin to evaporate. However, due to the presence of dissolved salt, the evaporation stops when the size of the droplet reaches about 20%–30% of the initial diameter, but now, the droplet salt concentration has increased to levels that trigger onset of crystallization. Of course, these processes compete with settling—the process by which larger droplets fall away before they can evaporate. The smaller of the two, complete evaporation time and settling time, thus dictates the droplet lifetime
τ. The infection rate constant derived using collision theory of reaction rates is shown to be a function of the respiratory droplet lifetime (
τ), where
τ is sensitive to ambient conditions. While the infection rate constant in reality is dependent on numerous parameters, the present approach allows us to compute its exclusive dependence on ambient conditions through respiratory droplet modeling. We find that the respiratory droplets exclusively contribute to the infection growth parameters and infection growth rate, which decrease with ambient temperature and increase with relative humidity. As such, the model could be used for providing fundamental insights into the role of respiratory droplets in Covid-19 type viral disease spread. Furthermore, the model could be used, with extreme caution and in cognizance of its limitations, toward estimating the risk potential of infection spread by droplet transmission for specific ambient conditions of interest from purely physics based calculations.