Direct Simulation Monte Carlo Model Research Articles

Reactive direct simulation Monte Carlo modeling of gas reactive transport in three dimensional porous fibrous media across rarefied to continuum regimes

Gas flow in complex porous media can vary across rarefied to continuum regimes depending on the characteristic size of porous media. To study the gas reactive transport process in three dimensional porous fibrous media across rarefied to continuum regimes, a comprehensive reactive direct simulation Monte Carlo model coupling with heat conduction and radiation model as well as reaction process is proposed. The results calculated by the proposed model are verified to fit well with those obtained using analytical model and experimental data. The “inlet” effect promoting the skeleton temperature is found. There are existing competitions between the heat conduction, reaction rate and convection, radiation process. The temperature of porous fibrous media skeleton increases with the catalyst coverage, and decreases with increase of Knudsen number. When the proportion of hydrogen increases, the increase in the temperature of the porous fibrous media skeleton is initially rapid and then gradual. These studies help to deeply understand the chemical reaction mechanism in porous media across rarefied to continuum regimes.

Direct Simulation Monte Carlo Modeling of Ammonia in Comet C/2014 Q2 (Lovejoy)

Ammonia (NH3), likely the most abundant nitrogen-bearing molecule in cometary ices followed by hydrogen cyanide, is believed to be stored in the nucleus predominantly as a parent ice. However, spatial profiles of NH3 observed in comet C/2014 Q2 (Lovejoy) in the near-infrared region are consistent with a distributed source contribution (Dello Russo et al. 2022). We developed the direct simulation Monte Carlo model of ammonia in cometary coma and applied it to comet C/2014 Q2 (Lovejoy). Results suggest that NH3 molecules in the coma of C/2014 Q2 (Lovejoy) can plausibly originate from a combination of parent molecules of NH3 in the coma and a NH3 nucleus source. We demonstrate that the parents of NH3 having photodissociation lifetimes of several hundreds of seconds or longer (at 1 au from the Sun) can explain the observed spatial profile of NH3 in comet C/2014 Q2 (Lovejoy). Even though ammonia salts are possible candidates for parents of NH3, some simple ammonium salts such as NH4CN or NH4Cl may dissociate thermally within very short lifetimes after sublimation from the nucleus, so the contribution from those ammonium salts may be indistinguishable from the nucleus source. The lack of experimental data on photoprocesses for potential NH3 parent molecules prevent us from identifying the origin of NH3 in comets. Experimental and theoretical studies of photodissociation/ionization reactions of potential NH3 parent molecules by the solar UV radiation field are encouraged for the future identification of NH3 parents in comets.

The 3D Direct Simulation Monte Carlo Study of Europa’s Gas Plume

Europa has been spotted as having water outgassing activities by space- and ground-based telescopes as well as reanalysis of the Galileo data. We adopt a 3D Direct Simulation Monte Carlo (DSMC) model to investigate the observed plume characteristics of Europa assuming that supersonic expansion originated from the subsurface vent. With a parametric study of the total gas production rate and initial gas bulk velocity, the gas number density, temperature and velocity information of the outgassing plumes from various case studies were derived. Our results show that the plume gases experience acceleration through mutual collisions and adiabatic cooling when exiting from the surface. The central part of the plume with relatively large gas production rates (1029 and 1030 H2O s−1) was found to sustain thermal equilibrium and near continuum condition. Column density maps integrated along two different viewing angles are presented to demonstrate the importance of the projection effect on remote sensing diagnostics. Finally, the density profiles at different altitudes are provided to prepare for observations of Europa’s plumes including upcoming spacecraft missions such as JUICE and Europa Clipper.

Modeling the complete set of Cassini’s UVIS occultation observations of Enceladus’ plume

The Cassini Ultraviolet Imaging Spectrograph (UVIS) observed a plume of water vapor spewing out from the south polar regions of Enceladus via occultations 7 times during the Cassini mission. Five of them yielded spatially resolved data that allowed fits to a set of individually modeled jets. We created a direct simulation Monte Carlo (DSMC) model to simulate individual water vapor jets with the aim of fitting them to water vapor abundances along the UVIS line of sight during occultation observations. Accurate location and attitude of spacecraft together with positions of Enceladus and Saturn at each observation determine the relationship between the three-dimensional water vapor number density in the plume and the two-dimensional profiles of water vapor abundances along the line of sight recorded by UVIS. By individually fitting observed and modeled jets, every occultation observation of UVIS presented a unique perspective to the physical properties and distribution of the jets. The minimum velocity of water vapor in the jets is determined from the narrowest observed individual jet profile: it ranges from 800 m/s to 1.8 km/s for the UVIS occultation observations. 41 individual jets were required to fit the highest resolution UVIS dataset taken during the Solar occultation however, an alternative larger set of linearly-dependent jets cannot be excluded without invoking additional unrelated data from other instruments. A smaller number of jets is required to fit the stellar occultation data because of their spatial resolution and geometry. We identify a set of 37 jets that were repeatedly present in best fits to several UVIS occultation observations. These jets were probably active through the whole Cassini mission.

Direct-simulation Monte Carlo modeling of reactor-scale gas-dynamic phenomena in a multiwafer atomic-layer deposition batch reactor

Atomic layer deposition (ALD) using multiwafer batch reactors has now emerged as the manufacturing process of choice for modern microelectronics at a massive scale. Stringent process requirements of thin film deposition uniformity within wafer (WiW) and wafer–wafer (WTW) in the batch, film conformity along submicrometer wafer features, thin film quality, and the utilization of expensive precursors in the reactor dictate ALD reactor design and process parameter optimization. This paper discusses a particle-based direct-simulation Monte Carlo (DSMC) of the full reactor scale simulation that overcomes the low Knudsen number limitation of typical continuum computational fluid dynamics approaches used for modeling low-pressure ALD reactors. A representative industrial multiwafer batch reactor used for the deposition of Si-based thin films with N2 and Si2Cl6 (hexachlorodisilane) as process feed gases with pressures in the range 43–130 Pa and a uniform reactor temperature of 600 °C is simulated. The model provides detailed insights into the flow physics associated with the transport of the precursor species from the inlets, through wafer feed nozzles, into the interwafer regions, and finally through the outlet. The reactor operating conditions are shown to be in the slip/transitional flow regime for much of the reactor volume and especially the feed gas nozzle and interwafer regions (where the Knudsen number approaches ∼0.2), justifying the need for a high-Knudsen number DSMC approach as in this work. For the simulated conditions, the nonuniformity of precursor species immediately above the wafer surface is predicted to be within <1% for a given wafer and <2% across the entire multiwafer stack. Results indicate that higher pressure degrades WiW and WTW uniformity. A reactor flow efficiency is defined and found to be ∼99%, irrespective of the chamber pressure.

Study of the linear mercury diffusion pump with the fixed mass-flow-rate model by direct simulation Monte Carlo method

The linear mercury diffusion pump is proposed as the primary pump for sustaining the continuous working of KALPUREX (Karlsruhe liquid metal based pumping process for fusion reactor exhaust gases), which is considered as the exhaust pumping solution for reducing the tritium inventory in future fusion reactor with the fuel cycle based on the Direct Internal Recycling (DIR) concept. In this work, a preliminary simulation study of the linear mercury diffusion pump (LDP) is performed based on the Direct Simulation Monte Carlo (DSMC) method. While the dsmcFoam solver in the OpenFOAM platform is used, the inlet model named by fixed mass-flow-rate (FixedMFR) model is developed to control the mass flow rate into the pump, in accord with the condition of the experiment in 1950s. The simulated pumping speeds are in reasonable agreement with the experimental results when the pressure is in the range of 1 × 10−2 ~ 2 × 10−2 Pa, which implies that the DSMC model can be used for simulating the performance of the LDP. It should be noted that in the preliminary DSMC model, the mesh size is too large. Due to the large mesh size, the expansion of the mercury vapor steam is overestimated and the pumping speed is underestimated. Further work is required to find a proper way to generate the computational mesh for predicting the pumping performance of the LDP accurately and effectively.

High-fidelity modeling of breakdown in helium: initiation processes and secondary electron emission

Understanding the role of physical processes contributing to breakdown is critical for many applications in which breakdown is undesirable, such as capacitors, and applications in which controlled breakdown is intended, such as plasma medicine, lightning protection, and materials processing. The electron emission from the cathode is a critical source of electrons which then undergo impact ionization to produce electrical breakdown. In this study, the role of secondary electron yields due to photons (γ ph) and ions (γ i) in direct current breakdown is investigated using a particle-in-cell direct simulation Monte Carlo model. The plasma studied is a one-dimensional discharge in 50 Torr of pure helium with a platinum cathode, gap size of 1.15 cm, and voltages of 1.2–1.8 kV. The current traces are compared with experimental measurements. Larger values of γ ph generally result in a faster breakdown, while larger values of γ i result in a larger maximum current. The 58.4 nm photons emitted from He(21P) are the primary source of electrons at the cathode before the cathode fall is developed. Of the values of γ ph and γ i investigated, those which provide the best agreement with the experimental current measurements are γ ph = 0.005 and γ i = 0.01. These values are significantly lower than those in the literature for pristine platinum or for a graphitic carbon film which we speculate may cover the platinum. This difference is in part due to the limitations of a one-dimensional model but may also indicate surface conditions and exposure to a plasma can have a significant effect on the secondary electron yields. The effects of applied voltage and the current produced by a UV diode which was used to initiate the discharge, are also discussed.

The Impact of Kinetic Neutrals on the Heliotail

Abstract The shape of the heliosphere is thought to resemble a long, comet tail, however, recently it has been suggested that the heliosphere is tailless with a two-lobe structure. The latter study was done with a three-dimensional (3D) magnetohydrodynamic code, which treats the ionized and neutral hydrogen atoms as fluids. Previous studies that described the neutrals kinetically claim that this removes the two-lobe structure of the heliosphere. In this work, we use the newly developed Solar-wind with Hydrogen Ion Exchange and Large-scale Dynamics (SHIELD) model. SHIELD is a self-consistent kinetic-MHD model of the outer heliosphere that couples the MHD solution for a single plasma fluid from the BATS-R-US MHD code to the kinetic solution for neutral hydrogen atoms solved by the Adaptive Mesh Particle Simulator, a 3D, direct simulation Monte Carlo model that solves the Boltzmann equation. We use the same boundary conditions as our previous simulations using multi-fluid neutrals to test whether the two-lobe structure of the heliotail is removed with a kinetic treatment of the neutrals. Our results show that despite the large difference in the neutral hydrogen solutions, the two-lobe structure remains. These results are contrary to previous kinetic-MHD models. One such model maintains a perfectly ideal heliopause and does not allow for communication between the solar wind and interstellar medium. This indicates that magnetic reconnection or instabilities downtail play a role for the formation of the two-lobe structure.

The fidelity of DSMC method to analyze the aerothermodynamics of the pure continuum flow regime

Abstract The statistical probabilistic Direct Simulation Monte Carlo (DSMC) method was developed to interrogate the flow regime, in which thermal non-equilibrium exists and flow properties are non-continuous. Unfortunately, the DSMC method had not been preferred for the pure continuum flow regime ascribed to the computational burden arises with the computation of a large number of simulated molecule trajectories. However, this study showed that the DSMC method can handle the number density of real molecules of the pure continuum flow regime. The DSMC predictions were in close proximity to the experimental measurements taken on an Orion aeroshell model at Mach 11.4, 12.4, and 12.5 of reacting air in an expansion tunnel facility. The measurements corresponded to laminar boundary layer conditions, whereby Schlieren images were taken to assess the shockwave encapsulating the Orion aeroshell. The DSMC model predicted no isolated bump of the stagnation point heat flux, which was in line with the experiments. At a 20° angle of attack of the aeroshell, the model could capture the non-axisymmetric flow-field, in which the shear layer was attached at the windward side aftbody and detached at the leeward side aftbody. Thinning of the shockwave with the increase of flow-field temperature and molecular dissociation was also visibly distinct. The outcomes suggest the fidelity of the DSMC method in capturing the molecular interactions and the associated reaction kinetics in regimes varying from continuum to a rarefied gas without any substantial compromise of accuracy.

Feasibility Study of an Adaptive-Pressure Plasma Coating Process—Part 1: Model Description

Thermal barrier coatings for gas turbine engines are mainly produced by electron beam physical vapor deposition or atmospheric plasma spray depending on the thermomechanical loading of engine components. This study deals with the numerical design of a two-step thermal plasma-aided physical vapor deposition process capable of efficiently evaporating the coating material processed in the plasma jet and of producing a strain-tolerant coating microstructure from vapor phase condensation. The system involved a high-pressure chamber and a low-pressure chamber connected by an expansion nozzle. The objective was to achieve the highest deposition efficiency for a given plasma specific enthalpy. The numerical simulations based on computational fluid dynamics and direct simulation Monte Carlo models projected the effect of the process geometry and operating conditions on the gas flow fields, powder vaporization efficiency and nucleation/growth phenomena in the gas phase. For a targeted powder feed rate, they allowed to determine the length of the high-pressure chamber, the diameter of the expansion nozzle and other dimensions of the deposition system. The expansion nozzle that linked the two chambers was the crucial component of the process, and the predictions made it possible to select the geometry and process operating parameters that avoided its clogging and/or melting

MRT-LBM modelling of the oscillatory gas slide film damping in the transition regime

In this paper, the slide film damping (SFD) of micro-scale oscillatory Couette flow has been researched by an effective multiple relaxation time lattice Boltzmann method (MRT-LBM). The validity and effectiveness of MRT-LBM for solving SFD have been verified through contrasting the velocity distribution between the upper plate and the substrate of MRT-LBM and the direct simulation Monte Carlo (DSMC) model. The impacts of the vibration frequency and gap of plates on the damping are discussed, and the result shows that the nonlinear character of velocity profiles is manifest and SFD increases substantially for a larger vibration frequency in the oscillatory gas flow; SFD reduces obviously with the gap increases. Consequently, the results further confirm the implementation of LBM in analysis of the non-equilibrium micro-scale gas flow.

The surface distributions of the production of the major volatile species, H2O, CO2, CO and O2, from the nucleus of comet 67P/Churyumov-Gerasimenko throughout the Rosetta Mission as measured by the ROSINA double focusing mass spectrometer

The Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) suite of instruments operated throughout the over two years of the Rosetta mission operations in the vicinity of comet 67P/Churyumov-Gerasimenko. It measured gas densities and composition throughout the comet's atmosphere, or coma. Here we present two-years' worth of measurements of the relative densities of the four major volatile species in the coma of the comet, H2O, CO2, CO and O2, by one of the ROSINA sub-systems called the Double Focusing Mass Spectrometer (DFMS). The absolute total gas densities were provided by the Comet Pressure Sensor (COPS), another ROSINA sub-system. DFMS is a very high mass resolution and high sensitivity mass spectrometer able to resolve at a tiny fraction of an atomic mass unit. We have analyzed the combined DFMS and COPS measurements using an inversion scheme based on spherical harmonics that solves for the distribution of potential surface activity of each species as the comet rotates, changing solar illumination, over short time intervals and as the comet changes distance from the sun and orientation of its spin axis over long time intervals. We also use the surface boundary conditions derived from the inversion scheme to simulate the whole coma with our fully kinetic Direct Simulation Monte Carlo model and calculate the production rates of the four major species throughout the mission. We compare the derived production rates with revised remote sensing observations by the Visible and Infrared Thermal Imaging Spectrometer (VIRTIS) as well as with published observations from the Microwave Instrument for the Rosetta Orbiter (MIRO). Finally we use the variation of the surface production of the major species to calculate the total mass loss over the mission and, for different estimates of the dust/gas ratio, calculate the variation of surface loss all over the nucleus.

Development of an impulsive model of dissociation in direct simulation Monte Carlo

A previously proposed classical impulsive model for dissociation of diatomic molecules in direct simulation Monte Carlo (DSMC), the Macheret-Fridman for direct simulation Monte Carlo (MF-DSMC) model [Luo et al., “Classical impulsive model for dissociation of diatomic molecules in direct simulation Monte Carlo,” Phys. Rev. Fluids 3, 113401 (2018)], is extended in this work. To improve the prediction of state-specific rates at high vibrational energy, the anharmonic vibrational phase angle distribution function is first incorporated into the model. Then, to improve the prediction of thermal equilibrium dissociation rates, the general concept of calculating total collision cross sections with the MF-DSMC model is discussed and the framework of implementing a collision model based on exponential potential is constructed. The improved model is validated by comparisons with quasiclassical trajectory calculations, empirical estimations, and experimental measurements. In general, better agreement compared with the original version of the model is obtained. The improved model is also evaluated by simulating O2 reacting shock experiment.

Beyond direct simulation Monte Carlo (DSMC) modelling of collision environments

ABSTRACTDirect simulation Monte Carlo (DSMC) models have been successfully adopted and adapted to describe gas flows in a wide range of environments since the method was first introduced by Bird in the 1960s. We propose a new approach to modelling collisions between gas-phase particles in this work – operating in a similar way to the DSMC model, but with one key difference. Particles move in a mean field, generated by all previously propagated particles, which removes the requirement that all particles be propagated simultaneously. This yields a significant reduction in computation effort and lends itself to applications for which DSMC becomes intractable, such as when a species of interest is only a minor component of a large gas mixture.

Improved Modeling of Material Deposition during OLED Manufacturing Using Direct Simulation Monte Carlo Method on GPU Architecture

A direct simulation Monte Carlo (DSMC) method is implemented on graphical processing unit (GPU) architecture to simulate the deposition phenomena that occur on a glass panel during modern organic light emitting diodes (OLED) manufacturing processes with a huge number of simulated particles because a fully three-dimensional (3D) particle simulation is required to accurately predict deposition thickness and uniformity on the substrate in a low-pressure environment. To examine the accuracy and efficiency of the newly developed DSMC code running on GPU architecture, verification and validation tests were performed by solving several benchmarking problems. Under three conditions which have been applied in previous OLED deposition process test experiments, the new DSMC model successfully simulates the transport of organic material evaporated from the heated nozzle array and its deposition onto a glass panel inside a low-pressure chamber. The uniformity and normalized thickness between the DSMC and experimental results for the three test cases are then compared. The normalized thickness of the organic material deposited to the large glass panel calculated from the DSMC is found to have an error of less than 4%, and the uniformity values calculated from the absolute deposition thickness show good agreement with those obtained from experimental data in all test cases.

Transit Lyman-α signatures of terrestrial planets in the habitable zones of M dwarfs

Aims. We modeled the transit signatures in the Lyman-alpha (Ly-α) line of a putative Earth-sized planet orbiting in the habitable zone (HZ) of the M dwarf GJ 436. We estimated the transit depth in the Ly-α line for an exo-Earth with three types of atmospheres: a hydrogen-dominated atmosphere, a nitrogen-dominated atmosphere, and a nitrogen-dominated atmosphere with an amount of hydrogen equal to that of the Earth. For all types of atmospheres, we calculated in-transit absorption they would produce in the stellar Ly-α line. We applied it to the out-of-transit Ly-α observations of GJ 436 obtained by the Hubble Space Telescope (HST) and compared the calculated in-transit absorption with observational uncertainties to determine if it would be detectable. To validate the model, we also used our method to simulate the deep absorption signature observed during the transit of GJ 436b and showed that our model is capable of reproducing the observations. Methods. We used a direct simulation Monte Carlo (DSMC) code to model the planetary exospheres. The code includes several species and traces neutral particles and ions. It includes several ionization mechanisms, such as charge exchange with the stellar wind, photo- and electron impact ionization, and allows to trace particles collisions. At the lower boundary of the DSMC model we assumed an atmosphere density, temperature, and velocity obtained with a hydrodynamic model for the lower atmosphere. Results. We showed that for a small rocky Earth-like planet orbiting in the HZ of GJ 436 only the hydrogen-dominated atmosphere is marginally detectable with the Space Telescope Imaging Spectrograph (STIS) on board the HST. Neither a pure nitrogen atmosphere nor a nitrogen-dominated atmosphere with an Earth-like hydrogen concentration in the upper atmosphere are detectable. We also showed that the Ly-α observations of GJ 436b can be reproduced reasonably well assuming a hydrogen-dominated atmosphere, both in the blue and red wings of the Ly-α line, which indicates that warm Neptune-like planets are a suitable target for Ly-α observations. Terrestrial planets, on the other hand, can be observed in the Ly-α line if they orbit very nearby stars, or if several observational visits are available.

Design and measurement methods for a lithium vapor box similarity experiment.

The lithium vapor box divertor is a concept for handling the extreme divertor heat fluxes in magnetic fusion devices. In a baffled slot divertor, plasma interacts with a dense cloud of Li vapor which radiates and cools the plasma, leading to recombination and detachment. Before testing on a tokamak, the concept should be validated: we plan to study detachment and heat redistribution by a Li vapor cloud in laboratory experiments. Mass changes and temperatures are measured to validate a direct simulation Monte Carlo model of neutral Li. The initial experiment involves a 5 cm diameter steel box containing 10 g of Li held at 650 °C as vapor flows out a wide nozzle into a similarly sized box at a lower temperature. Diagnosis is made challenging by the required material compatibility with lithium vapor. Vapor pressure is a steep function of temperature, so to validate mass flow models to within 10%, absolute temperature to within 4.5 K is required. The apparatus is designed to be used with an analytical balance to determine mass transport. Details of the apparatus and methods of temperature and mass flow measurements are presented.

A 3D particle model for the plume CEX simulation

ABSTRACTCharge Exchange (CEX) ion is the main factor causing the plume pollution. The distribution of CEX ions is determined by the distribution of beam ions and neutral atoms. Hence, the primary problem in the study of the plume is how to accurately simulate the distribution of beam ions and neutral atoms. At present, the most commonly used model utilised for the plume simulation is the analytical model proposed by Roy for the plume simulation of the NASA Solar Technology Application Readiness (NSTAR) ion thruster. However, this analytical model can only be applied to the ion beam with small divergence angles. In addition, the analytical model is no longer applicable to the simulation for the plume of a new type of ion thruster that appeared recently, which is called the annular ion thruster. In this paper, a 3D particle model is proposed for the plume simulation of ion thrusters consisting of the particle model for beam ions, the Direct Simulation Monte Carlo (DSMC) model for neutral atoms and the Immersed Finite Element-Particle In Cell-Monte Carlo Collision (IFE-PIC-MCC) model for CEX ions. Then, the plume of the NSTAR ion thruster is simulated by both Roy's model and the 3D particle model. The simulation results of both models are then compared with the experimental results. It is shown that the numerical results of the 3D particle model agree well with those of the analytical model and the experimental data. And this 3D particle model can also be used for other electric thrusters.

The heterogeneous coma of comet 67P/Churyumov-Gerasimenko as seen by ROSINA: H2O, CO2, and CO from September 2014 to February 2016

Context.The ESA Rosetta mission has been investigating the environment of comet 67P/Churyumov-Gerasimenko (67P) since August 2014. Among the experiments on board the spacecraft, the ROSINA experiment (Rosetta Orbiter Spectrometer for Ion and Neutral Analysis) includes two mass spectrometers to analyse the composition of neutrals and ions and a COmet Pressure Sensor (COPS) to monitor the density and velocity of neutrals in the coma.Aims.We study heterogeneities in the coma during three periods starting in October 2014 (summer in the northern hemisphere) and ending in February 2016 (end of winter in the northern hemisphere). We provide a detailed description of the main volatiles dynamics (H2O, CO2, CO) and their abundance ratios.Methods.We analysed and compared the data of the Reflectron-type Time-Of-Flight (RTOF) mass spectrometer with data from both the Double Focusing Mass Spectrometer (DFMS) and COPS during the comet escort phase. This comparison has demonstrated that the observations performed with each ROSINA sensor are indeed consistent. Furthermore, we used a Direct Simulation Monte Carlo (DSMC) model to compare modelled densitites with in situ detections.Results.Our analysis shows how the active regions of the main volatiles evolve with the seasons with a variability mostly driven by the illumination conditions; this is the case except for an unexpected dichotomy suggesting the presence of a dust layer containing water deposited in the northern hemisphere during previous perihelions hiding the presence of CO2. The influence of various parameters is investigated in detail: distance to the comet, heliocentric distance, longitude and latitude of sub-satellite point, local time, and phase angle.

A NEW 3D MULTI-FLUID MODEL: A STUDY OF KINETIC EFFECTS AND VARIATIONS OF PHYSICAL CONDITIONS IN THE COMETARY COMA

ABSTRACT Physics-based numerical coma models are desirable whether to interpret the spacecraft observations of the inner coma or to compare with the ground-based observations of the outer coma. In this work, we develop a multi-neutral-fluid model based on the BATS-R-US code of the University of Michigan, which is capable of computing both the inner and outer coma and simulating time-variable phenomena. It treats H2O, OH, H2, O, and H as separate fluids and each fluid has its own velocity and temperature, with collisions coupling all fluids together. The self-consistent collisional interactions decrease the velocity differences, re-distribute the excess energy deposited by chemical reactions among all species, and account for the varying heating efficiency under various physical conditions. Recognizing that the fluid approach has limitations in capturing all of the correct physics for certain applications, especially for very low density environment, we applied our multi-fluid coma model to comet 67P/Churyumov–Gerasimenko at various heliocentric distances and demonstrated that it yields comparable results to the Direct Simulation Monte Carlo (DSMC) model, which is based on a kinetic approach that is valid under these conditions. Therefore, our model may be a powerful alternative to the particle-based model, especially for some computationally intensive simulations. In addition, by running the model with several combinations of production rates and heliocentric distances, we characterize the cometary H2O expansion speeds and demonstrate the nonlinear dependencies of production rate and heliocentric distance. Our results are also compared to previous modeling work and remote observations, which serve as further validation of our model.