Natalia Gimelshein

Vibrational relaxation rates in the direct simulation Monte Carlo method

Exact relationship is developed that connects the vibrational relaxation number, ZvDSMC, used in the direct simulation Monte Carlo method and that employed in continuum simulations. An approximate expression for ZvDSMC is also derived that is cost-effective and applicable when translational temperature is larger than vibrational temperature.

Simulation of gas dynamics and radiation in volcanic plumes on Io

Abstract Modeling results of volcanic plumes on Jupiter’s moon Io are presented. Two types of low density axisymmetric SO2 plume flows are modeled using the direct simulation Monte Carlo (DSMC) method. Thermal radiation from all three vibrational bands and overall rotational lines of SO2 molecules is modeled. A high resolution computation of the flow in the vicinity of the vent was obtained by multidomain sequential calculation to improve the modeling of the radiation signature. The radiation features are examined both by calculating infrared emission spectra along different lines-of-sight through the plume and with the DSMC modeled emission images of the whole flow field. It is found that most of the radiation originates in the vicinity of the vent, and non-LTE (non-local-thermodynamic equilibrium) cooling by SO2 rotation lines exceeds cooling in the v2 vibrational band at high altitude. In addition to the general shape of the plumes, the calculated average SO2 column density (∼1016 cm−2) over a Pele-type plume and the related frost-deposition ring structure (at R ∼ 500 km from the vent) are in agreement with observations. These comparisons partially validate the modeling. It is suggested that an observation with spatial resolution of less than 30 km is needed to measure the large spatial variation of SO2 near a Pele-type plume center. It is also found that an influx of 1.1 × 1029 SO2 s−1 (or 1.1 × 104 kg s−1) is sufficient to reproduce the observed SO2 column density at Pele. The simulation results also show some interesting features such as a multiple bounce shock structure around Prometheus-type plumes and the frost depletion by plume-induced erosion on the sunlit side of Io. The model predicts the existence of a canopy shock, a ballistic region inside the Pele-type plume, and the negligible effect of surface heating by plume emission.

On the use of chemical reaction rates with discrete internal energies in the direct simulation Monte Carlo method

The conventional chemical reaction models of the direct simulation Monte Carlo method developed with the assumption of continuous rotational or vibrational modes that are shown to exhibit systematic errors when used with discrete energy modes. A reaction model is proposed that is consistent with the use of discrete energy distributions of rotational and vibrational modes, and is equally applicable to diatomic and polyatomic systems. The sensitivity of the model to variations of different reaction rate parameters is examined. The revised chemical reaction model is then applied to the modeling of hypersonic flows over spacecraft in the Martian and Earth atmospheres.

Numerical and experimental investigation of microchannel flows with rough surfaces

A conical surface roughness model applicable to particle simulations has been developed. The model has been experimentally validated for channel flows using helium and nitrogen gases at Reynolds numbers from 0.01 to 10 based on inlet conditions. To efficiently simulate gas-surface interaction, molecular collisions with the actual rough surface are simulated by collisions with a randomly positioned conical hole having a fixed opening angle. This model requires only one surface parameter, average surface roughness angle. This model has also been linked to the Cercignani-Lampis scattering kernel as a required reference for use in deterministic kinetic solvers. Experiments were conducted on transitional flows through a 150μm tall, 1cm wide, 1.5cm long microchannel where the mean free path is on the order of the roughness size. The channel walls were made of silicon with: (i) polished smooth surfaces, (ii) regular triangular roughness, and (iii) regular square roughness with characteristic roughness scales of ...

Origins of radiometric forces on a circular vane with a temperature gradient

Radiometric force on a 0.12 m circular vane is studied experimentally and numerically over a wide range of pressures that cover the flow regimes from near free molecular to near continuum. In the experiment, the vane is resistively heated to about 419 K on one side and 394 K on the other side, and immersed in a rarefied argon gas. The radiometric force is then measured on a nano-Newton thrust stand in a 3 m vacuum chamber and compared with the present numerical predictions and analytical predictions proposed by various authors. The computational modelling is conducted with a kinetic approach based on the solution of ellipsoidal statistical Bhatnagar–Gross–Krook (ES-BGK) equation. Numerical modelling showed the importance of regions with elevated pressure observed near the edges of the vane for the radiometric force production. A simple empirical expression is proposed for the radiometric force as a function of pressure that is found to be in good agreement with the experimental data. The shear force on the lateral side of the vane was found to decrease the total radiometric force.

Reaction cross sections for two direct simulation Monte Carlo models: Accuracy and sensitivity analysis

The quantum kinetic chemical reaction model proposed by Bird for the direct simulation Monte Carlo method is based on collision kinetics with no assumed Arrhenius-related parameters. It demonstrates an excellent agreement with the best estimates for thermal reaction rates coefficients and with two-temperature nonequilibrium rate coefficients for high-temperature air reactions. This paper investigates this model further, concentrating on the non-thermal reaction cross sections as a function of collision energy, and compares its predictions with those of the earlier total collision energy model, also by Bird, as well as with available quasi-classical trajectory cross section predictions (this paper also publishes for the first time a table of these computed reaction cross sections). A rarefied hypersonic flow over a cylinder is used to examine the sensitivity of the number of exchange reactions to the differences in the two models under a strongly nonequilibrium velocity distribution.

Analysis of accommodation coefficients of noble gases on aluminum surface with an experimental/computational method

A method that connects measurements of radiometric forces on a heated vane in the transitional flow regime with the kinetic modeling of the flow, and derives the accommodation coefficients through the successive analysis of measured and computed results, is proposed. The method utilizes the fact that radiometric forces exerted on heated objects immersed in rarefied gases are governed by the interaction of gas molecules with the surface. Experimental results on radiometric forces on a 0.11 m diameter circular vane are obtained on a nano-Newton thrust stand in a 3 m long vacuum chamber for pressures ranging from approximately 0.01 to 1 Pa. The vane was heated to 419 K on the hot side and 396 K on the cold side. The numerical modeling is conducted using a combined ellipsoidal statistical Bhatnagar–Gross–Krook/direct simulation Monte Carlo approach that allows accurate and time efficient analysis of radiometric forces on a vane in large vacuum chambers filled with rarefied gas. Accommodation coefficients for ...

Modeling of Flow and Radiation in the Atlas Plume

Modeling results and data are presented for a chemically reacting flow from a thrusting Atlas II rocket at low altitudes. High spatial resolution imagery and spectra have been obtained for a kerosene/liquid oxygen multinozzle plume at altitudes in the continuum flow regime. A numerical solution for a three-dimensional plume flow from the Atlas rocket engine is obtained using two different Navier-Stokes computational fluid dynamics codes. The influence of the flow near the rocket body on the plume structure is considered at an altitude of 40 km. The plume flowfields at 15- and 40-km altitudes are used for radiation calculations in the infrared spectral region. Calculated spectral radiant intensities and pixelated images are compared with the data extracted from the recent in-flight measurements. Comparison of the modeling with the data shows that numerical modeling is able to predict the plume structure existing at both altitudes

Numerical Modeling of Ion Transport in an ESI-MS System

AbstractGas and ion transport in the capillary-skimmer subatmospheric interface of a mass spectrometer, which is typically utilized to separate unevaporated micro-droplets from ions, was studied numerically using a two-step approach spanning multiple gas dynamic regimes. The gas flow in the heated capillary and in the interface was determined by solving numerically the Navier-Stokes equation. The capillary-to-skimmer gas/ion flow was modeled through the solution of the full Boltzmann equation with a force term. The force term, together with calculated aerodynamic drag, determined the ion motion in the gap between the capillary and skimmer. Three-dimensional modeling of the impact of the voltage applied to the Einzel lens on the transmission of doubly charged peptide ions through the skimmer orifice was compared with experimental data obtained in the companion study. Good agreement between measured and computed signals was observed. The numerical results indicate that as many as 75% of the ions that exit from the capillary are lost on the conical surface of the skimmer or capillary outer surface because of the electrostatic force and plume divergence. Figureᅟ

Numerical prediction of UV radiation from two-phase plumes at high altitudes

Abstract : A multi-step continuum-kinetic approach is used to model a steady state plume flow from a Star 27 motor at an altitude of 188 km. Two-way coupled Navier-Stokes equations and the DSMC method are used to predict the interaction between plume and atmospheric gases and micron-sized alumina particles from the thruster. A Monte Carlo radiation code that accounts for photon scattering on particles is used to calculate UV radiation based on the obtained flowfield solutions. Comparison of computed spectral and integral radiant intensity with available flight data is performed. Photon scattering by submicron particles in the 200 nm to 400 nm range was found to be a dominant process in the far field UV emission.