- 1Heliophysics and Planetary Science Branch, NASA Marshall Space Flight Center, Huntsville, AL, United States
- 2Department of Climate and Space Sciences and Engineering, University of Michigan, Ann Arbor, MI, United States
- 3Center for Space Sciences and Technology, University of Maryland Baltimore County, Baltimore, MD, United States
- 4Planetary Environments Laboratory, NASA Goddard Space Flight Center, Greenbelt, MD, United States
- 5Department of Earth, Planetary and Space Sciences, University of California at Los Angeles, Los Angeles, CA, United States
Exospheres, the tenuous gas environments surrounding planets, planetary satellites, and cometary comae, play a significant role in mediating the interactions of these astronomical bodies with their surrounding space environments. This paper presents a comprehensive review of both analytical and numerical methods employed in modeling exospheres. The paper explores analytical models, including the Chamberlain and Haser models, which have significantly contributed to our understanding of exospheres of planets, planetary satellites, and cometary comae. Despite their simplicity, these models provide baselines for more complex simulations. Numerical methods, particularly the Direct Simulation Monte Carlo (DSMC) method, have proven to be highly effective in capturing the detailed dynamics of exospheres under non-equilibrium conditions. The DSMC method’s capacity to incorporate a wide range of physical processes, such as particle collisions, chemical reactions, and surface interactions, makes it an indispensable tool in planetary science. The Adaptive Mesh Particle Simulator (AMPS), which employs the DSMC method, has demonstrated its versatility and effectiveness in simulating gases in planetary and satellite exospheres and dusty gas cometary comae. It provides a detailed characterization of the physical processes that govern these environments. Additionally, the multi-fluid model BATSRUS has been effective in modeling neutral gases in cometary comae, as discussed in the paper. The paper presents methodologies of exosphere modeling and illustrates them with specific examples, including the modeling of the Enceladus plume, the sodium exosphere of the Moon, the coma of comet 67P/Churyumov-Gerasimenko, and the hot oxygen corona of Mars and Venus.
1 Introduction
Exospheres, the outermost layers of a planet’s atmosphere, are critical for understanding the interactions between celestial bodies and their surrounding space environment. These tenuous atmospheres, often composed of light elements and molecules, play significant roles in shaping the observable characteristics of planets, moons, and comets. The study of exospheres encompasses various phenomena, including the dynamics of escaping particles, photochemical reactions, and interactions with solar wind.
Early analytical models like the Chamberlain and Haser models are fundamental for understanding exospheric structures. The Chamberlain model, formulated in the 1960s, provides insights into the density distribution of planetary exospheres influenced by gravitational forces. It offers a theoretical framework to describe the distribution of particles in a collisionless regime, providing a robust model of the exospheres of planets and planetary satellites. In contrast, the Haser model, developed for comets, focuses on the spatial distribution of neutral gas molecules and their photodissociation products. It has been instrumental in analyzing cometary comae and understanding the composition and distribution of gas species within them.
Despite their simplicity, these analytical models continue to serve as foundational tools in planetary science. They offer efficient means for initial data analysis and provide baselines for more complex numerical simulations. The emergence of high-resolution observations and sophisticated numerical methods, such as the Direct Simulation Monte Carlo (DSMC) method, have significantly advanced our understanding of exospheres. These methods allow for detailed simulations of gas flows under non-equilibrium conditions, capturing a broad range of physical processes, including particle collisions, chemical reactions, and interactions with surfaces for surface-bound exospheres and thermospheres of planets with substantial atmospheres.
2 Analytical models
Today, analytic models continue to be used, especially in analyzing observational data, preceding more complicated numerical modeling that accounts for detailed physics. Though lacking some physics, these models offer an efficient framework for performing an initial analysis, capturing the main physical processes. This section includes some of the analytic models, intending to provide the reader with a starting point for applying them in the analysis of observational data.
Initially formulated in the 1960s, the Chamberlain model was developed to describe planetary exospheres’ density distribution. It considers the thermal distribution of particles escaping from the gravitational field, providing insights into the exospheric dynamics and particle behavior (Shen, 1963; Chamberlain, 1963). In contrast, the Haser model, introduced in the 1950s, was specifically developed to model the coma of comets. This model describes the spatial distribution of neutral gas molecules and their photodissociation products (Haser, 1957). Cassini’s discovery of Enceladus’s jet produced by a combination of individual gas vents and Tiger stripes motivated the development of a multi-plume model (Tenishev et al., 2014).
2.1 Chamberlain model
Developed by Chamberlain (1963), this model provides insights into the density distribution in planetary exospheres influenced by planetary gravity. TheThe model assumes a Maxwellian velocity distribution at the base of a spherically symmetric exosphere, where particles are injected. he formalism of the model is discussed in detail, e.g., Shen (1963), Chamberlain (1963), Stern and Flynn (1995), Lammer and Bauer (1997), Valeille (2009), and Öpik and Singer (1961). Despite its limitations, the Chamberlain model remains instrumental in studying the evolution of planetary atmospheres.
Assuming that (1) the exosphere is spherically symmetric, and (2) at the location of the exobase, which serves as the lower boundary for the model, the atmosphere is in equilibrium, the density in the entire exosphere
Here,
A traditional definition of the exobase’s location for an exosphere (Equation 3) is where the collision mean free path,
where
2.2 Haser model
Most radiative emissions of gaseous species in cometary comae, observable in visible light, are primarily due to fluorescence induced by sunlight within an optically thin medium. Quantitative analyses of gas species within these comae revealed that the spatial variation in the brightness of certain species (e.g.,
The quantitative framework for analyzing these phenomena, developed by Haser (1957), remains widely utilized in comet research today. Haser’s model characterizes the distribution of secondary species, such as cometary radicals, resulting from the photodissociation of parent species. The model assumes that the coma acts as a spherically symmetric point source from which parent molecules uniformly outflow. The depletion of these species’ densities,
where Q is the production rate of the comet,
Here,
The processes occurring within the coma of a comet are generally more complex. Numerous daughter species detected do not originate from a singular, direct decomposition of a parent molecule. Instead, a daughter molecule may be produced from different parent molecules via diverse reaction pathways and may involve several intermediate stages. Moreover, if the dissociation processes are exothermic, the excess energy may enhance the reaction products’ kinetic energy, increasing the velocity of the lighter fragments (Shou, 2017; Combi et al., 2004). Despite its simplifications, the Haser model is extensively utilized as it provides a robust estimation of production rates by employing scale lengths readily available in the literature.
2.3 Multiplume model
The 2005 discovery by the Cassini spacecraft of gas and ice grain plumes emanating from Enceladus’ south pole has ignited significant interest in and research into the mechanisms behind these phenomena (Waite et al., 2006). The multiplume model developed to study the Enceladus’ plume integrates contributions from discrete gas vents, diffuse fissures or crevices along the Tiger Stripes - large, parallel cracks near the south pole that emit water vapor and ice particles and a global spherical source. The gas vents are treated as individual point sources where gas is ejected into the exosphere at high velocities (approximately 1 km/s), significantly exceeding Enceladus’ escape velocity (235 m/s) (Tenishev et al., 2014). Therefore, a number density of water vapor in the exosphere that is due to an individual gas vent can be evaluated as
where
Here,
3 Numerical modeling of exospheres
In planetary science, numerical modeling has become an essential tool for understanding the dynamics of exospheres of planets, moons, and comets. One of the most widely used numerical modeling techniques in this field is the Direct Simulation Monte Carlo (DSMC) method, a robust approach for solving the Boltzmann equation to simulate gas flows in exospheres. Despite the dominance of kinetic physics, fluid-type numerical methods are also employed for modeling exospheres due to their numerical efficiency and capabilities of being directly coupled with plasma models. This section provides an overview of both simulation methods.
3.1 Application of Monte Carlo method in exosphere simulations
In most cases of practical interest, studying exospheres of planets, planetary satellites, and comets involves rarefied gas flows under strong non-equilibrium conditions. These conditions can be described only with the Boltzmann equation, which, in its general form, can be written as
where
The Direct Simulation Monte Carlo (DSMC) method is a method of choice to solve the Boltzmann equation for gas flow in the exospheres of planets, moons, and comets (Combi, 1996; Tenishev et al., 2008; Bird, 1994; Crifo et al., 2002; Tucker et al., 2015). One of the DSMC method’s most important advantages is its ability to incorporate processes that are more complex than elastic collisions without significantly complicating the numerical procedure.
The general scheme of Monte Carlo models can be described using so-called Markov chains. Briefly, a Markov chain is defined as a system,
The evolution of the distribution function
where
A reasonable model for the transition probabilities must be developed to apply Equations 9, 10 to a real gas. This formulation does not require a simultaneous change in the velocity coordinates of both partners during a collision, allowing for the description of more comprehensive relaxation processes compared to the standard Boltzmann collision integral. In most practical cases, models of microscopic processes that define the transition probabilities are available for rarefied gases.
The results of a Monte Carlo numerical simulation are moments of the velocity distribution function for the simulated gas flow, representing measurable parameters such as density, bulk velocity, temperature, and pressure. The major challenge is to develop an approximation of a complex Markov chain representing the dynamics of each atom or molecule of simulated gas flow using a simpler one, ensuring that the mean value of the distribution function moments remains the same in both cases. One technique to reduce the number of possible states in the chain is to decrease the total number of degrees of freedom in the system based on physical considerations. This approach is used in the DSMC method, where a single model particle represents many real gas molecules.
The numerical schemes of the DSMC method are based on physical assumptions that form the basis of the phenomenological derivation of the Boltzmann equation (Bird, 1994). The key concept in developing collision relaxation schemes is the total collision frequency,
where
Due to the statistical nature of the DSMC method, numerical solutions always exhibit some noise. There are two principal sources of error associated with DSMC calculations. One arises from a high real-to-simulated particle number ratio, which becomes especially significant for high-density flows. Another source of statistical noise is notable when the mean flow velocity is much smaller than the mean molecular thermal speed. For low-velocity flows, large statistical fluctuations can obscure some features of the flow structure. Noise filtering techniques have been described by, e.g., Boyd and Stark (1989), Kaplan and Oran (2002), and Garcia et al. (1987).
Significant efforts have been made to establish a theoretical proof of the convergence of numerical solutions obtained using the DSMC method to those of the Boltzmann equation. Notable results from these efforts can be found by, e.g., Babovsky and Illner (1989), Rjasanow and Wagner (1996), Wagner (1992), and Volkov (2011).
3.1.1 Elastic collisions
During a momentum exchange, gas molecules pass each other’s potential fields. In applications relevant to exospheric simulations, the collision time is much shorter than the mean time between collisions. Consequently, from the viewpoint of gas kinetics described by Equation 8, intermolecular interactions are treated as instantaneous events. One must rely on experimental data or molecular dynamics simulations to determine the collision parameters for real molecules.
An accurate model of collisional dynamics in a gas can be achieved only if the time interval separating translational motion and collisional relaxation is less than
The hard sphere (HS) model is the simplest model of particle collision cross-section,
Here,
All schemes developed within the framework of the DSMC method to determine collision partners share several standard features. They are based on the numerical evaluation of the collision frequency given by Equation 11, which determines the number of prospective partners or samples of the time intervals between consecutive collision events using a Monte Carlo technique. Collision partners are chosen randomly, and the collision probability is proportional to the product
3.1.2 Gas production and boundary conditions
It is typically assumed that gas is released into the simulation domain with a Maxwellian distribution at a temperature
Here, the normal component of the velocity for an injected model particle as
3.1.3 Inelastic collisions
In continuum gas dynamics, real gas effects are typically associated with high-temperature phenomena characterized by molecular vibrations, dissociation, ionization, surface interactions, and chemical reactions. Treating chemical reactions as collision processes dates back to the early development of chemical kinetics methodology. The DSMC method, which models the physics of individual collisions using cross-sections, can effectively reproduce reacting flows under far-from-equilibrium conditions (Bird, 1970; Borgnakke and Larsen, 1975; Koura, 1993; Boyd, 1997a; Boyd, 1996; Boyd, 1997b; Boyd, 1999; Lord, 1998; Wysong et al., 2002; Josyula and Bailey, 2001). However, in most cases, the gas in exospheres occurs under conditions where chemical reactions can be neglected, and the most important processes related to inelastic collisions is energy exchange between internal and translational degrees of freedom.
Approaches to simulating vibrational relaxation within the DSMC method can be divided into two major classes. The first class follows a phenomenological approach, assuming that a molecule’s vibrational and rotational modes equilibrate with translational modes during interparticle collisions. Models in this class can be based on either a continuum or a discrete representation of the energy spectra of molecular vibrations. The second class of models is based on state-to-state analysis of vibrational transitions in a molecule (e.g., Fujita and Abe, 2002; Josyula and Bailey, 2001). This method has been developed only for the simplest molecules and is currently impractical for broader applications due to insufficient knowledge of energy-dependent level-to-level cross-sections.
A phenomenological approach results in a simple and practical model of collisional relaxation at the molecular level, reproducing physically significant effects in a gas flow. In the Larsen-Borgnakke (LB) model, the post-collision internal energy is sampled from a known equilibrium distribution associated with a temperature determined by the total energy of the collision partners (Borgnakke and Larsen, 1975). It is implicitly assumed that the energy exchange mechanism providing equilibrium between a molecule’s internal modes can be applied to yield a non-equilibrium energy distribution in simulated gas flow under non-equilibrium conditions.
Based on the work of Hinshelwood (1940), in equilibrium, the energy
Here, the number of degrees of freedom
Polyatomic molecules possess several vibrational modes, each contributing to the molecular vibrational energy and potentially participating in energy exchange independently. Most polyatomic molecules exhibit a single vibrational relaxation, meaning only one vibrational mode participates in the energy exchange during a collision (Lambert, 1977). The simplest model of vibrational relaxation assumes that energy exchange between vibrational and translational modes occurs through the lowest vibrational mode, which usually has the highest energy exchange rate. Due to the rapid energy transfer between vibrational modes, they are all assumed to be in equilibrium.
A relaxation collision number,
Here,
The phenomenological model of Borgnakke and Larsen (1975) can also be directly applied to energy transitions between rotational and translational degrees of freedom. It is typically assumed that relaxation of rotational and vibrational degrees of freedom can be treated independently. In the temperature range typically observed in exospheres and cometary comae, the rotational-translational energy exchange is more significant than vibrational-translational energy exchange (Fujita and Abe, 2002). Rotational relaxation can be described using the rotational collision number
3.1.4 Photochemical reactions
Photodissociation processes are the major source of secondary species in exospheres (Schinke, 1993). The key element of a probabilistic photochemical reaction model is the parent species’ lifetime. Given a lifetime,
Implementation of the photochemical reactions in a Monte Carlo model with Equation 16 reproduces the dynamics of simulated species decay described by Equation 4 of the Haser model. The excess energy must be partitioned between translational and internal modes of the reaction products. For example, the Larsen-Borgnakke scheme can distribute the total post-dissociation energy between different modes based on the equilibrium distribution function in Equation 14.
3.1.5 Adaptive Mesh Particle Simulator
The Adaptive Mesh Particle Simulator (AMPS) is a comprehensive tool used for kinetic modeling of exospheres of planets, planetary satellites, and cometary comae (Tenishev et al., 2021). By employing the Direct Simulation Monte Carlo (DSMC) method, AMPS effectively solves the Boltzmann equation, which is crucial for simulating the behavior of gases in non-equilibrium conditions. This method allows AMPS to model various physical processes, including particle collisions, chemical reactions, and interaction with solid surfaces. AMPS’s modular design separates general-purpose functionalities from specific applications, making it adaptable for different research scenarios. This flexibility and its ability to perform massively parallel computations allow AMPS to handle complex simulations efficiently.
AMPS has been applied to various space environments. The list of relevant applications includes modeling the sodium population in the exosphere of the Moon (Tenishev et al., 2013), the dusty gas environment around comets (Fougere et al., 2016b), and the hot oxygen coronae of Mars and Venus (Lee et al., 2015a; Tenishev et al., 2022). In the context of magnetospheric and heliospheric studies, AMPS simulates the transport of energetic ions and their interactions with planetary magnetospheres (e.g., Glass et al., 2021; Tenishev et al., 2005). The code’s ability to integrate with the Space Weather Modeling Framework (SWMF) (Tóth et al., 2012), further enhances its applicability in studying the interaction between the solar wind and exospheres. Some prior applications of modeling the exospheres of planets, moons, and comets are illustrated in Section 4.
3.2 Fluid models
Fluid models offer a practical and efficient approach to studying the dynamics of planetary exospheres. Despite kinetic physics dominating the dynamics of exospheres, fluid-type numerical methods are also used to model these environments. One significant advantage of fluid-type models is their ability to be easily coupled with magnetohydrodynamic (MHD) models to simulate complex interactions between the exosphere and the surrounding plasma environment.
The theoretical foundation of fluid models is based on solving the Euler equations for each species:
Here,
The source terms are described in Equations 18–21. Those source terms with chemical reaction frequencies
A detailed discussion of the methodological questions regarding the use of fluid methods in modeling exospheres is presented in, e.g., Rubin et al. (2014a,b), Huang et al. (2016), Shou et al. (2016), and Shou (2017).
3.2.1 Application of BATSRUS - for modeling neutrals in a cometary coma
BATSRUS, the Block-Adaptive-Tree Solar wind Roe-type Upwind Scheme code, has been developed by the Computational Magnetohydrodynamics (MHD) Group at the University of Michigan for over 30 years (Powell et al., 1999; Tóth et al., 2005). The code efficiently solves both magnetohydrodynamics (MHD) and hydrodynamics equations. Simulations can be performed using various grid systems, including Cartesian and spherical coordinates, supporting local mesh refinement during calculations. Additionally, two key features in the BATSRUS code significantly enhance the model’s efficiency and accuracy. First, the code can run in either time-accurate mode or steady-state mode. In steady-state mode, time steps can vary in each grid cell, constrained only by the local stability condition. This significantly reduces the computation time needed to reach a steady state. Second, the implementation of the point-implicit scheme aids in the calculation of stiff source terms, particularly useful for handling photochemistry-related processes in the ionosphere or cometary comae (Tóth et al., 2012). An example of applying BATSRUS to model the coma of comet 67P/Churyumov-Gerasiminko is provided in Section 4.3.1.
4 Examples of exosphere modeling: planets and moons
This section provides examples of applying the methodologies discussed in Sections 2, 3 to model the exospheres of planets, planetary satellites, and cometary comae. The main goal is to provide the reader with a summary of the model parameters and summarize the key results of modeling exospheres of various astronomical objects.
4.1 Enceladus plume
The gas and ice grain plumes discovered by Cassini in 2005 have made Enceladus an object of increased scientific interest (Waite et al., 2006). The observed activity in the south pole region has raised questions regarding the source of the plumes’ material, the mechanisms of its delivery to the surface, and the distribution of dust, ice grains, and gas in the exosphere (Spencer, 2013; Hedman et al., 2009; Postberg et al., 2011; Ingersoll and Ewald, 2011; Hansen et al., 2011; Spitale and Porco, 2007).
The multiplume model (see Section 2.3) was utilized to investigate the potential impact of diffuse or multiple small gas sources along the Tiger Stripes on the water vapor distribution in Enceladus’ exosphere (Tenishev et al., 2010). The model accounts for gas production from individual vents, a global spherical source, and Tiger Stripes to study their effect on water vapor distribution in Enceladus’ exosphere. In addition, DSMC models have been used to simulate Enceladus’ plume, considering similar physics of particle ejection into the exosphere (e.g., Tucker et al., 2015; Mahieux et al., 2019; Yeoh et al., 2015).
The Tiger Stripes are simulated using vertically directed point sources, described by Equation 6, which are uniformly distributed along the stripes. Additionally, a background gas distribution is incorporated to account for the global exospheric environment, modeled as
The results of applying the multiplume model to analyze Cassini’s Ion and Mass Spectrometer (INMS) E3 and E5 flybys, as well as Ultraviolet Imaging Spectrograph (UVIS) observations from 2005, 2007, and 2010 (Teolis et al., 2010; Hansen et al., 2006; Hansen et al., 2008; Hansen et al., 2011), are illustrated in Figure 1.
Figure 1. Left: Comparison of the model results with the Cassini INMS E3 Enceladus plume observations. Right: Comparison of the model results with the Cassini UVIS 2007 Enceladus plume observations. The figures are adopted from Tenishev et al. (2014).
The best fit was achieved with a fissure temperature of 180 K and bulk velocities of 350 m/s and 950 m/s for the regular and extra fissures, respectively. These values are consistent with Cassini/CIRS measurements of the surface temperature and the gas thermal velocity (Spencer et al., 2009; Hansen et al., 2011; Goguen et al., 2013). The best fit parameters for the background gas distribution are
4.2 Sodium in the exosphere of the moon
Ground-based observations of the lunar exosphere performed at different phases indicate that sodium number density at the subsolar point is close to
Sodium atoms can be released into the exosphere of the Moon through various source processes, with the most significant being thermal desorption, photo-stimulated desorption, sputtering by solar wind, and micrometeorite vaporization (e.g., Morgan and Killen, 1997; Stern, 1999; Morgan and Shemansky, 1991; Sprague, 1992; Smyth and Marconi, 1995; Sarantos et al., 2011; Cintala, 1992).
Micrometeorite vaporization, initially suggested by Potter and Morgan (1988b) as a sodium source in the Moon’s exosphere, has been confirmed by observational studies during meteor stream passages (Hunten et al., 1991; 1998). Numerical modeling by Cintala (1992); Mangano et al. (2007); Sarantos et al. (2008); Lee et al. (2011) investigated its impact on exospheric dynamics. The sodium source rate, ranging from approximately
The sputtering of the lunar surface by solar wind and magnetospheric ions significantly contributes to sodium mobilization from the lunar regolith into the exosphere, enhancing sodium atom diffusion from deeper layers for exospheric injection via desorption processes. The sodium flux from sputtering is quantified as
Here,
Photon stimulated desorption (PSD) has been recognized as a significant sodium source in the Moon’s exosphere, initially suggested by McGrath et al. (1986). The process involves ejecting particles influenced by solar photons, with the total flux of
Thermal desorption is a mechanism for transferring sodium atoms from the lunar regolith to the exosphere, primarily through the sublimation of adsorbed sodium atoms with the total flux of
When a sodium atom collides with the lunar surface, it may be scattered, adsorbed, or chemically bound (Sprague, 1992). Particles that are directly scattered quickly equilibrate to the local surface temperature. The proportion of particles that become adsorbed or bound is governed by the sticking coefficient, which is highly dependent on the local surface temperature (Yakshinskiy and Madey, 2005). Killen et al. (2012) note that only about 50% of these adsorbed particles can be re-emitted into the exosphere through various desorption processes.
The rate of sodium photoionization by solar UV radiation has been a subject of considerable debate. Huebner et al. (1992) provided both theoretical and empirical photoionization rates of
Figure 2 illustrates an example of applying AMPS to model the distribution of sodium in the Moon’s exosphere. Our simulations indicate that photon-stimulated desorption is the dominant source of sodium in the lunar exosphere, with its rate exceeding that of meteoritic impact vaporization by a factor of approximately 8–9. The total source rate of sodium is estimated to be
Figure 2. Left: Modeled brightness of the lunar sodium D1 + D2 emission as it would be seen from the Earth on 30 September 1991. Right: Emission of exospheric sodium observed with the UPI-TVIS instrument onboard the SELENE (Kaguya) spacecraft on 7 February 2009 and comparison with the model results. The figure is adapted from Tenishev et al. (2013).
4.3 Kinetic modeling coma of comet 67P/Churyumov-Gerasiminko
Both kinetic and fluid-type methods have been successfully used to model cometary comae. This section illustrates the applications of these methods in studying ESA’s Rosetta mission target, comet 67P/Churyumov-Gerasimenko.
Unlike planets’ dense, collisional atmospheres, cometary comae are characterized by minimal interactions between particles. Cometary comae are a distinctive phenomenon within the solar system, functioning as a planetary atmosphere with minimal influence from gravity. As a comet nears the Sun, water vapor and other gases sublimate, forming a cloud of gas, ice, and refractory materials (such as rocky and organic dust) expelled from the nucleus’s surface. The sublimated gas molecules may experience frequent collisions and participate in photochemical reactions near the nucleus. Due to the comet’s negligible gravity, it generates a large and highly variable dusty coma extending far beyond the cometary nucleus’s size (Hässig et al., 2015).
The sublimation of volatiles from a cometary nucleus is the primary source of volatiles in a cometary coma. The nucleus is covered by a porous layer of ice and solid grains, which experiences periodic solar illumination due to the rotation of the nucleus. This leads to the sublimation of volatiles, thereby contributing to the formation of the coma. Thermal re-radiation, solid-state heat conduction, and mass and energy subsurface transport also play significant roles. These processes collectively form the foundation for the thermophysical modeling of the nucleus’s gas production, which is used to define the boundary conditions on the nucleus’s surface for subsequent modeling of gas dynamics in cometary comae (Davidsson, 2024; Davidsson and Gutiérrez, 2005; Davidsson et al., 2010a).
With a typical density near the surface of
As the primary species, water dominates the thermodynamic balance of cometary comae through its photodissociation and radiation cooling. Its rotational transitions may allow radiation cooling or heating, which could be essential for controlling
The evolution of daughter species in the coma primarily depends on the absorption of solar radiation and interaction with the solar wind, which consists mainly of protons,
Starting a few hundred kilometers from the nucleus, the gas dynamics in a cometary coma are primarily influenced by the formation of energetic daughter species (Combi and Smyth, 1988; Xie and Mumma, 1996; Festou, 1999; Gunnarsson et al., 2002). The dominant photolytic process in a coma is the photodissociation reaction
The Direct Simulation Monte Carlo (DSMC) method was employed to model the coma of comet 67P/Churyumov-Gerasimenko in both full 3D and axially symmetric 2D, capturing the distribution and dynamics of major volatile species (Combi, 1996; Tenishev et al., 2008). This approach is crucial for understanding the complex interactions within the coma, especially given the non-equilibrium conditions present due to low particle densities and varying illumination conditions. The DSMC model was used to analyze data from the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) and the Visible and Infrared Thermal Imaging Spectrometer (VIRTIS) onboard the ESA Rosetta mission.
In that modeling, the nucleus was represented with a high-resolution shape model, and the activity was distributed over the surface based on local illumination and empirical data derived from observations (Tenishev et al., 2016). The major species needed to be considered are
The surface activity can be described using a 25-term (order 4) spherical harmonic expansion, capturing the complex activity patterns observed in different regions of the comet. The coefficients of this expansion were determined through a least-squares optimization method using Rosetta/ROSINA data (Fougere et al., 2016a; Fougere et al., 2016b). The gas flux at the nucleus’ surface was defined by the local surface temperature derived from the thermophysical model of the comet’s nucleus (Davidsson and Gutiérrez, 2004; Davidsson and Gutiérrez, 2006; Davidsson et al., 2010b). The gas flux at the nucleus surface is in Equation 23
Here,
AMPS successfully replicated the temporal and spatial variations observed in the coma of comet 67P/Churyumov-Gerasiminko. It accurately captured the strong seasonal variations in outgassing patterns driven by the comet’s axial tilt. The model demonstrated a strong correlation between water vapor and molecular oxygen throughout the observation period, while
Figure 3 compares the model with Rosetta’s VIRTIS data, further supporting the model’s accuracy in capturing both the large-scale coma structure and the finer details of local outgassing features.
Figure 3. Left: Density extracted at the spacecraft’s location every hour from the DSMC outputs choosing the case from the 48 runs with the closest Sun/comet geometry. The top panel is for water with the DFMS/COPS in blue circles and the DSMC model in black. The bottom panel represents
4.3.1 Hydrodynamic methods for modeling volatiles in a cometary coma
Even when the inner coma comprises a large fluid region, a Knudsen layer, where gas released from the nucleus becomes thermalized, inevitably separates it from the nucleus. Therefore, to apply a hydrodynamic approach to a cometary coma, boundary conditions must be set not on the nucleus’s surface but at the top of the Knudsen layer. Studies highlight that the thickness of the Knudsen layer typically ranges from a few meters to several hundred meters (Crifo, 1987; 1989; Rickman, 1989; Crifo et al., 2002).
The multi-fluid model BATSRUS was used to model neutral gas in the coma of comet 67P/Churyumov-Gerasiminko. The relevant methodology is discussed in Section 3.2. The model includes multiple gas species, such as
In comparing the multi-fluid model with the DSMC approach for modeling gas dynamics in a cometary coma, the multi-fluid model can achieve results generally consistent with those obtained from the DSMC method. Despite the inherent approximations and simplifications in the multi-fluid approach, such as treating each gas species as a separate fluid with its density, velocity, and temperature, the model effectively captures the critical physical processes, including photochemical reactions and collisional dynamics. The multi-fluid model’s ability to reproduce the general trends in gas density, velocity, and temperature profiles, as observed in the DSMC simulations, confirms its validity and accuracy on large spatial scales up to
Comparison illustrated in Figures 4, 5 indicates that the gas velocity and density are consistent with a kinetic model. However, higher moments, such as temperature, are not fully reproduced as the kinetic nature of particle interactions determines their dynamics. As illustrated in Figure 6, the temperatures of daughter species are accurately reproduced in the inner coma, where particle collisions still maintain thermodynamic equilibrium, while an increase in the primary species’ temperature, specifically
Figure 4. Densities of modeled species vs. distances from the body for a heliocentric distance of 1.3 au and a production rate of
Figure 5. Speed of modeled species vs. distances from the body for a heliocentric distance of 1.3 au and a production rate of
Figure 6. Temperatures of modeled species vs. distances from the body for a heliocentric distance of 1.3 au and a production rate of
This temperature increase is a kinetic effect caused by
4.3.2 A dusty gas flow in a cometary coma
Dust and gas are the primary components of a cometary coma, with dust being entrained by sublimating gas. Ground-based observations of dust rely on scattered light (Harris et al., 1997; Sarmecanic et al., 1997; Harmon et al., 1997; Jewitt and Matthews, 1997; Moreno, 2009). Recent observations of dust in the coma of comet Churyumov-Gerasimenko with ESA Rosetta’s OSIRIS and VIRTIS provided unprecedented observations of cometary dust (e.g.,. Agarwal et al., 2009; Agarwal et al., 2010; Agarwal et al., 2016; Lara et al., 2015; Lin et al., 2015; Schultz et al., 2010).
The widely accepted view is that sunlight heating is the primary factor determining gas and dust ejection rates from a comet’s nucleus, making these rates dependent on the sub-solar angle (Tenishev et al., 2008; Belton, 2013). It is also generally assumed that the dust ejection rate is proportional to that of gas (Tenishev et al., 2011). However, Clark et al. (2004) suggested that other factors, such as thermal stress or internal gas pressure, might also contribute to dust release. The sunset jet observed by OSIRIS on Rosetta suggests that a thermal lag in the nucleus’s upper subsurface layer may play a significant role Shi et al. (2016).
Dust particles observed by Rosetta are categorized into two main types: compact particles, with diameters between 0.03 and 1 mm, and fluffy particles, with diameters ranging from 0.2 to 2.5 mm (Della Corte et al., 2015; Rotundi et al., 2015). Despite their larger size, fluffy particles contribute minimally to the overall dust mass ejection rate (Fulle et al., 2019; Fulle et al., 2017; Fulle et al., 2015; Fulle and Blum, 2017). The formation of fluffy particles has been investigated by Skorov and Blum (2012). Additionally, smaller particles, known as nanograins, were detected by the Ion and Electron Sensor onboard Rosetta at 50–65 km from the comet (Burch et al., 2015). Most compact particles observed by the Grain Impact Analyser and Dust Accumulator experiment onboard Rosetta have masses ranging from
Based on spectral energy distribution (SED) observations, Sekanina and Farrell (1982) derived a grain size distribution given by
For comet 67P/Churyumov-Gerasimenko, the dust size distribution’s power index ranges from
The motion of dust particles near the nucleus is primarily governed by the combined effects of gas drag and gravity forces (Equation 24).
Here,
Assuming a spherical shape for the dust grain, a common approach in the comet community, the drag coefficient
Here,
Remote sensing observations of dust in a cometary coma rely on measuring its brightness. The optical properties of dust grains, derived from these observations, are detailed by Kolokolova et al. (2004); Lasue et al. (2009); Shen et al. (2009), where dust brightness is obtained by taking the following integral:
where
Figure 7 presents the results of the analysis of the dust jet observed by Rosetta/VIRTIS-M on 12 April 2015 (2015-04–12T07:14:00) (Migliorini et al., 2016). We calculated the dust brightness as Rosetta would see using the simulated cometary dust distribution and compared it with the coma brightness observed by Rosetta/VIRTIS-M.
Figure 7. Comparison of the cometary dust brightness map observed by Rosetta/VIRTIS-M [observation I1˙00387442903 taken on 2015-04-12T07:14:00, Migliorini et al. (2016)] with that from our kinetic modeling of gas and dust in the coma of comet 67P/Churyumov–Gerasimenko. The observed brightness map is shown in the left panel, and the modeled map is in the right panel. The X- and Y-axes represent the instrument’s pixel grid. The figure is adapted from Tenishev et al. (2016).
Following the calibration procedure established by the Rosetta/VIRTIS team, we assumed a solar flux of
4.4 Mars’ hot oxygen corona
Mars’ hot oxygen corona, first predicted by McElroy (1972) as a result of dissociative recombination of ionospheric
Later, the MAVEN mission provided detailed observations of Mars’ upper atmosphere (Deighan et al., 2015). While direct escape rate measurements are not feasible (Leblanc et al., 2017), MAVEN’s instruments have allowed indirect estimates of hot oxygen density and escape rates, ranging from 1.2 to
Mars experiences significant atmospheric loss, primarily of hydrogen and oxygen, with total escape rates ranging from 2 to 3 kg/s, primarily from water and carbon dioxide. Oxygen loss occurs through several processes: solar wind-driven electric field acceleration, which removes oxygen ions at a rate of
Space weather significantly affects hot oxygen production in Mars’ upper atmosphere. For example, the X8.2-class solar flare on 10 September 2017, increased hot oxygen production by up to 45% and photochemical escape rates by 20% due to enhanced ultraviolet flux (Fox, 2004; Fox and Hac, 2009; Lee et al., 2018; Cravens et al., 2017).
Both empirical and physics-based modeling are used to analyze MAVEN’s data. Such, Ramstad et al. (2023) developed an empirical method using MAVEN’s in situ measurements to infer Mars’ hot oxygen density near the exobase, finding densities of
The most commonly used numerical method for analyzing MAVEN/IUVS observations of Mars’ hot oxygen corona is Monte Carlo modeling, which simulates the transport of hot oxygen from its production in the thermosphere through the exosphere and into the corona to compare with observations (Leblanc et al., 2017; Lee et al., 2015a).
As hot oxygen (O) atoms propagate through the thermosphere, they may collide with ambient atoms and molecules, losing energy and becoming thermalized before reaching the corona. However, collisions between a hot O atom and a thermal O atom in the thermosphere can energize the latter enough to enter the corona. The energy transferred during collisions highly depends on the total and angular differential scattering cross-sections. Forward scattering is crucial in modeling this process because it affects how hot O atoms retain energy after collisions with
The results of modeling the hot O population in Mars’ corona using AMPS are illustrated in Figure 8. The simulation was initialized using outputs from the Mars Global Ionosphere Thermosphere Model (M-GITM) (Bougher et al., 2014), which provides a detailed description of the background thermosphere, including temperature, wind, and density profiles of significant species such as O,
Figure 8. Left: Three-dimensional representation of the Martian hot corona. Three isodensity surfaces of hot atomic oxygen are shown, decreasing with increasing distance from the planet: red, 600
Below the exobase, the atmosphere is assumed to be in collisional equilibrium with a Maxwellian velocity distribution. This approach was used to model the transport of hot O atoms through the thermosphere, where they originated and interacted with the background population of major thermospheric species. The simulation incorporated key model parameters, including the distribution of hot O source strength and the density of background species, derived from M-GITM outputs for specific solar cycle and seasonal conditions, ensuring that the thermospheric state was accurately represented.
Energy-dependent forward scattering cross-sections for O-O and O-
The parameters for the dissociative recombination reaction used in this study are summarized in Table 3. The reaction rate constant, as detailed in Equation 27, is adapted from Mehr and Biondi (1969) and has been employed in our previous research on Mars’ hot oxygen corona (e.g., Lee et al., 2015b; Valeille et al., 2010).
The Martian hot oxygen corona simulation using the AMPS model, cuand ITM, rvealed that the hot oxygen population is highly variable and strongly influenced by both solar cycle and seasonal changes. The study found that solar maximum periods produce significantly higher densities and escape rates of hot oxygen, with global escape rates ranging from
4.5 Venus hot oxygen corona and exosphere
Venus’s thermosphere, ionosphere, and exosphere have been extensively studied over several decades through observations from a range of spacecraft missions. These investigations began during the Soviet Venera and US Mariner missions, continued through the nearly 14-year Pioneer Venus mission, and have extended into more recent times with the Venus Express mission (Bougher et al., 1997; Schubert et al., 2007; Gérard et al., 2017).
Most of our current knowledge of Venus’ upper atmosphere and corona comes from measurements made by in-situ and remote sensing experiments on the Pioneer Venus Orbiter (PVO) from December 1978 to October 1992. The “hot” O corona was observed with an ultraviolet spectrometer (UVS) onboard PVO by measuring the OI resonance triplet near 1304 Å (Nagy et al., 1981).
Since 2006, systematic monitoring by Venus Express (VEx) instruments has enhanced our understanding of Venus’s atmosphere. VIRTIS observations have measured 3D temperatures and derived thermal wind fields at 40–90 km (Piccialli et al., 2012; Piccialli et al., 2008) and mapped the highly variable
The BepiColombo spacecraft’s second fly-by of Venus on 10 August 2021, using the Mass Spectrum Analyzer (MSA) on Mio, BepiColombo’s magnetospheric orbiter, revealed cold oxygen (
In the upper atmosphere of Venus, suprathermal O atoms are primarily produced by exothermic reactions, such as the electron dissociative recombination of
The Mars oxygen corona model detailed in Section 4.4 was modified to study Venus’s exosphere and corona (Tenishev et al., 2022). This adaptation takes advantage of the fact that the production and dynamics of hot oxygen on Mars and Venus are similar (Valeille et al., 2009b; Valeille et al., 2009a; Lee et al., 2015a). Similarly, we use the output of the Venus Thermosphere General Circulation Model (VTGCM) of Venus’ thermosphere/ionosphere composition to determine the source of hot O and characterize its interaction with major thermospheric species (Bougher et al., 1988).
Our findings indicate that the altitude distribution of hot oxygen during solar maximum aligns closely with observations from the Pioneer Venus Orbiter. Conversely, during solar minimum, we observe a significant decrease in the oxygen density of the corona, consistent with Venus Express’s non-detection of the oxygen corona. The conditions during moderate solar activity naturally lie between these extremes. Our results indicate variability in the density of the extended oxygen corona around Venus by a factor of six over a solar cycle, aligning with observations suggesting a significant reduction in density during low solar activity periods (Gérard et al., 2017). The lack of corona detection by ASPERA-4 and SPICAV onboard Venus Express during solar minimum further supports our findings, highlighting the effect of solar conditions on the visibility of Venus’ oxygen corona (Lichtenegger et al., 2009). The modeling results of Venus’s exosphere and corona are in Figure 9.
Figure 9. The simulated altitude variation of the energetic hot oxygen population is depicted in the figure. The lines represent model results for solar minimum, moderate, and maximum conditions. The points indicate the altitude variation from the Pioneer Venus Orbiter’s measurement of Venus’ oxygen corona Paxton and Meier (1986). This figure has been adapted from Tenishev et al. (2022).
5 Conclusion
This paper provides an extensive overview of the methods and models used to study exospheres, highlighting analytical and numerical approaches. Foundational analytical models, such as the Chamberlain and Haser models, have proven invaluable tools for the initial analysis of density distributions within exospheres and cometary comae.
The numerical methods, particularly the Direct Simulation Monte Carlo (DSMC) method, and tools like the Adaptive Mesh Particle Simulator (AMPS) have significantly advanced our ability to simulate complex, non-equilibrium gas flows in exospheres. These methods capture a wide range of physical processes, including particle collisions, chemical reactions, and surface interactions, which are critical for accurately modeling the behavior of gases in the tenuous atmospheres of planets, moons, and cometary comae. The multi-fluid model BATSRUS has enhanced our capability to model neutral gases in cometary comae by treating different gas species as distinct fluids. The paper’s case studies, including the Enceladus plume, the Moon’s sodium exosphere, the coma of comet 67P/Churyumov-Gerasimenko, and the hot oxygen coronae of Mars and Venus, illustrate the practical application and effectiveness of these models.
Data availability statement
The original contributions presented in the study are included in the article/supplementary material, further inquiries can be directed to the corresponding author.
Author contributions
VT: Conceptualization, Investigation, Software, Writing–original draft, Writing–review and editing. YS: Software, Writing–review and editing. YL: Software, Writing–review and editing. YM: Writing–review and editing. MC: Writing–review and editing.
Funding
The author(s) declare that financial support was received for the research, authorship, and/or publication of this article. The authors acknowledges the support of the Heliophysics and Planetary Science Branch of Marshall Space Flight Center.
Conflict of interest
The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.
Publisher’s note
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Keywords: Mars, Venus, Enceladus, Moon, 67P/Churyumov-Gerasimenko, Adaptive Mesh Particle Simulator (AMPS), Chamberlain model, Haser model
Citation: Tenishev V, Shou Y, Lee Y, Ma Y and Combi MR (2024) Modeling exospheres: analytical and numerical methods with application examples. Front. Astron. Space Sci. 11:1484360. doi: 10.3389/fspas.2024.1484360
Received: 21 August 2024; Accepted: 14 October 2024;
Published: 12 December 2024.
Edited by:
Orenthal Tucker, National Aeronautics and Space Administration, United StatesReviewed by:
Robert Johnson Johnson, University of Virginia, United StatesWei-Ling Tseng, National Taiwan Normal University, Taiwan
Copyright © 2024 Tenishev, Shou, Lee, Ma and Combi. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
*Correspondence: Valeriy Tenishev, dmFsZXJpeS5tLnRlbmlzaGV2QG5hc2EuZ292