General slip regime permeability model for gas flow through porous media

NASA Astrophysics Data System (ADS)

Zhou, Bo; Jiang, Peixue; Xu, Ruina; Ouyang, Xiaolong

2016-07-01

A theoretical effective gas permeability model was developed for rarefied gas flow in porous media, which holds over the entire slip regime with the permeability derived as a function of the Knudsen number. This general slip regime model (GSR model) is derived from the pore-scale Navier-Stokes equations subject to the first-order wall slip boundary condition using the volume-averaging method. The local closure problem for the volume-averaged equations is studied analytically and numerically using a periodic sphere array geometry. The GSR model includes a rational fraction function of the Knudsen number which leads to a limit effective permeability as the Knudsen number increases. The mechanism for this behavior is the viscous fluid inner friction caused by converging-diverging flow channels in porous media. A linearization of the GSR model leads to the Klinkenberg equation for slightly rarefied gas flows. Finite element simulations show that the Klinkenberg model overestimates the effective permeability by as much as 33% when a flow approaches the transition regime. The GSR model reduces to the unified permeability model [F. Civan, "Effective correlation of apparent gas permeability in tight porous media," Transp. Porous Media 82, 375 (2010)] for the flow in the slip regime and clarifies the physical significance of the empirical parameter b in the unified model.

Three mechanisms model of shale gas in real state transport through a single nanopore

NASA Astrophysics Data System (ADS)

Li, Dongdong; Zhang, Yanyu; Sun, Xiaofei; Li, Peng; Zhao, Fengkai

2018-02-01

At present, the apparent permeability models of shale gas consider only the viscous flow and Knudsen diffusion of free gas, but do not take into account the influence of surface diffusion. Moreover, it is assumed that shale gas is in ideal state. In this paper, shale gas is assumed in real state, a new apparent permeability model for shale gas transport through a single nanopore is developed that captures many important migration mechanisms, such as viscous flow and Knudsen diffusion of free gas, surface diffusion of adsorbed gas. According to experimental data, the accuracy of apparent permeability model was verified. What’s more, the effects of pressure and pore radius on apparent permeability, and the effects on the permeability fraction of viscous flow, Knudsen diffusion and surface diffusion were analysed, separately. Finally, the results indicate that the error of the developed model in this paper was 3.02%, which is less than the existing models. Pressure and pore radius seriously affect the apparent permeability of shale gas. When the pore radius is small or pressure is low, the surface diffusion cannot be ignored. When the pressure and the pore radius is big, the viscous flow occupies the main position.

Gas Near a Wall: Shortened Mean Free Path, Reduced Viscosity, and the Manifestation of the Knudsen Layer in the Navier-Stokes Solution of a Shear Flow

NASA Astrophysics Data System (ADS)

Abramov, Rafail V.

2018-06-01

For the gas near a solid planar wall, we propose a scaling formula for the mean free path of a molecule as a function of the distance from the wall, under the assumption of a uniform distribution of the incident directions of the molecular free flight. We subsequently impose the same scaling onto the viscosity of the gas near the wall and compute the Navier-Stokes solution of the velocity of a shear flow parallel to the wall. Under the simplifying assumption of constant temperature of the gas, the velocity profile becomes an explicit nonlinear function of the distance from the wall and exhibits a Knudsen boundary layer near the wall. To verify the validity of the obtained formula, we perform the Direct Simulation Monte Carlo computations for the shear flow of argon and nitrogen at normal density and temperature. We find excellent agreement between our velocity approximation and the computed DSMC velocity profiles both within the Knudsen boundary layer and away from it.

Revisiting Maxwell’s accommodation coefficient: A study of nitrogen flow in a silica microtube across all flow regimes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lei, Wenwen, E-mail: wlei@physics.usyd.edu.au; McKenzie, David R., E-mail: d.mckenzie@physics.usyd.edu.au

2014-12-15

Gas flows have been studied quantitatively for more than a hundred years and have relevance in modern fields such as the control of gas inputs to processes, the measurement of leak rates and the separation of gaseous species. Cha and McCoy have derived a convenient formula for the flow of an ideal gas applicable across a wide range of Knudsen numbers (Kn) that approaches the Navier–Stokes equations at small Kn and the Smoluchowski extension of the Knudsen flow equation at large Kn. Smoluchowski’s result relies on the Maxwell definition of the tangential momentum accommodation coefficient α, recently challenged by Aryamore » et al. We measure the flow rate of nitrogen gas in a smooth walled silica tube across a wide range of Knudsen numbers from 0.0048 to 12.4583. We find that the nitrogen flow obeys the Cha and McCoy equation with a large value of α, unlike carbon nanotubes which show flows consistent with a small value of α. Silica capillaries are therefore not atomically smooth. The flow at small Kn has α=0.91 and at large Kn has α close to one, consistent with the redefinition of accommodation coefficient by Arya et al., which also resolves a problem in the literature where there are many observations of α of less than one at small Kn and many equal to one at large Kn. Silica capillaries are an excellent choice for an accurate flow control system. - Highlights: • First experimental study on flow rate across all flow regimes in a well-defined microtube. • Extend Cha and McCoy theory for molecular flow regime. • Demonstrate the Maxwell accommodation coefficient is different in the slip and molecular flow regimes.« less

Close-Spaced High Temperature Knudsen Flow.

DTIC Science & Technology

1986-07-15

work~was a study of discharge processes in Knudsen mode (collisionless), thermionic energy converters. Areas of research involve’mechanisms for reducing ...power densities. The mechanisms/we have chosen to study are: reduction of space-charge through a very close interelectrode gap (less than 10 microns...In order to operate at practical current densities, the effect of electron space charge must be reduced . This can be done through very close

Numerical simulation of gas-phonon coupling in thermal transpiration flows.

PubMed

Guo, Xiaohui; Singh, Dhruv; Murthy, Jayathi; Alexeenko, Alina A

2009-10-01

Thermal transpiration is a rarefied gas flow driven by a wall temperature gradient and is a promising mechanism for gas pumping without moving parts, known as the Knudsen pump. Obtaining temperature measurements along capillary walls in a Knudsen pump is difficult due to extremely small length scales. Meanwhile, simplified analytical models are not applicable under the practical operating conditions of a thermal transpiration device, where the gas flow is in the transitional rarefied regime. Here, we present a coupled gas-phonon heat transfer and flow model to study a closed thermal transpiration system. Discretized Boltzmann equations are solved for molecular transport in the gas phase and phonon transport in the solid. The wall temperature distribution is the direct result of the interfacial coupling based on mass conservation and energy balance at gas-solid interfaces and is not specified a priori unlike in the previous modeling efforts. Capillary length scales of the order of phonon mean free path result in a smaller temperature gradient along the transpiration channel as compared to that predicted by the continuum solid-phase heat transfer. The effects of governing parameters such as thermal gradients, capillary geometry, gas and phonon Knudsen numbers and, gas-surface interaction parameters on the efficiency of thermal transpiration are investigated in light of the coupled model.

Normal stress effects on Knudsen flow

NASA Astrophysics Data System (ADS)

Eu, Byung Chan

2018-01-01

Normal stress effects are investigated on tube flow of a single-component non-Newtonian fluid under a constant pressure gradient in a constant temperature field. The generalized hydrodynamic equations are employed, which are consistent with the laws of thermodynamics. In the cylindrical tube flow configuration, the solutions of generalized hydrodynamic equations are exactly solvable and the flow velocity is obtained in a simple one-dimensional integral quadrature. Unlike the case of flow in the absence of normal stresses, the flow develops an anomaly in that the flow in the boundary layer becomes stagnant and the thickness of such a stagnant velocity boundary layer depends on the pressure gradient, the aspect ratio of the radius to the length of the tube, and the pressure (or density and temperature) at the entrance of the tube. The volume flow rate formula through the tube is derived for the flow. It generalizes the Knudsen flow rate formula to the case of a non-Newtonian stress tensor in the presence of normal stress differences. It also reduces to the Navier-Stokes theory formula in the low shear rate limit near equilibrium.

Role of rough surface topography on gas slip flow in microchannels.

PubMed

Zhang, Chengbin; Chen, Yongping; Deng, Zilong; Shi, Mingheng

2012-07-01

We conduct a lattice Boltzmann simulation of gas slip flow in microchannels incorporating rough surface effects as characterized by fractal geometry with a focus on gas-solid interaction. The gas slip flow in rough microchannels, which is characterized by Poiseuille number and mass flow rate, is evaluated and compared with smooth microchannels. The effects of roughness height, surface fractal dimension, and Knudsen number on slip behavior of gas flow in microchannels are all investigated and discussed. The results indicate that the presence of surface roughness reduces boundary slip for gas flow in microchannels with respect to a smooth surface. The gas flows at the valleys of rough walls are no-slip while velocity slips are observed over the top of rough walls. We find that the gas flow behavior in rough microchannels is insensitive to the surface topography irregularity (unlike the liquid flow in rough microchannels) but is influenced by the statistical height of rough surface and rarefaction effects. In particular, decrease in roughness height or increase in Knudsen number can lead to large wall slip for gas flow in microchannels.

Simulation of thermal transpiration flow using a high-order moment method

NASA Astrophysics Data System (ADS)

Sheng, Qiang; Tang, Gui-Hua; Gu, Xiao-Jun; Emerson, David R.; Zhang, Yong-Hao

2014-04-01

Nonequilibrium thermal transpiration flow is numerically analyzed by an extended thermodynamic approach, a high-order moment method. The captured velocity profiles of temperature-driven flow in a parallel microchannel and in a micro-chamber are compared with available kinetic data or direct simulation Monte Carlo (DSMC) results. The advantages of the high-order moment method are shown as a combination of more accuracy than the Navier-Stokes-Fourier (NSF) equations and less computation cost than the DSMC method. In addition, the high-order moment method is also employed to simulate the thermal transpiration flow in complex geometries in two types of Knudsen pumps. One is based on micro-mechanized channels, where the effect of different wall temperature distributions on thermal transpiration flow is studied. The other relies on porous structures, where the variation of flow rate with a changing porosity or pore surface area ratio is investigated. These simulations can help to optimize the design of a real Knudsen pump.

Generalized Knudsen Number for Unsteady Fluid Flow.

PubMed

Kara, V; Yakhot, V; Ekinci, K L

2017-02-17

We explore the scaling behavior of an unsteady flow that is generated by an oscillating body of finite size in a gas. If the gas is gradually rarefied, the Navier-Stokes equations begin to fail and a kinetic description of the flow becomes more appropriate. The failure of the Navier-Stokes equations can be thought to take place via two different physical mechanisms: either the continuum hypothesis breaks down as a result of a finite size effect or local equilibrium is violated due to the high rate of strain. By independently tuning the relevant linear dimension and the frequency of the oscillating body, we can experimentally observe these two different physical mechanisms. All the experimental data, however, can be collapsed using a single dimensionless scaling parameter that combines the relevant linear dimension and the frequency of the body. This proposed Knudsen number for an unsteady flow is rooted in a fundamental symmetry principle, namely, Galilean invariance.

Generalized Knudsen Number for Unsteady Fluid Flow

NASA Astrophysics Data System (ADS)

Kara, V.; Yakhot, V.; Ekinci, K. L.

2017-02-01

We explore the scaling behavior of an unsteady flow that is generated by an oscillating body of finite size in a gas. If the gas is gradually rarefied, the Navier-Stokes equations begin to fail and a kinetic description of the flow becomes more appropriate. The failure of the Navier-Stokes equations can be thought to take place via two different physical mechanisms: either the continuum hypothesis breaks down as a result of a finite size effect or local equilibrium is violated due to the high rate of strain. By independently tuning the relevant linear dimension and the frequency of the oscillating body, we can experimentally observe these two different physical mechanisms. All the experimental data, however, can be collapsed using a single dimensionless scaling parameter that combines the relevant linear dimension and the frequency of the body. This proposed Knudsen number for an unsteady flow is rooted in a fundamental symmetry principle, namely, Galilean invariance.

DSMC Simulation and Experimental Validation of Shock Interaction in Hypersonic Low Density Flow

PubMed Central

2014-01-01

Direct simulation Monte Carlo (DSMC) of shock interaction in hypersonic low density flow is developed. Three collision molecular models, including hard sphere (HS), variable hard sphere (VHS), and variable soft sphere (VSS), are employed in the DSMC study. The simulations of double-cone and Edney's type IV hypersonic shock interactions in low density flow are performed. Comparisons between DSMC and experimental data are conducted. Investigation of the double-cone hypersonic flow shows that three collision molecular models can predict the trend of pressure coefficient and the Stanton number. HS model shows the best agreement between DSMC simulation and experiment among three collision molecular models. Also, it shows that the agreement between DSMC and experiment is generally good for HS and VHS models in Edney's type IV shock interaction. However, it fails in the VSS model. Both double-cone and Edney's type IV shock interaction simulations show that the DSMC errors depend on the Knudsen number and the models employed for intermolecular interaction. With the increase in the Knudsen number, the DSMC error is decreased. The error is the smallest in HS compared with those in the VHS and VSS models. When the Knudsen number is in the level of 10−4, the DSMC errors, for pressure coefficient, the Stanton number, and the scale of interaction region, are controlled within 10%. PMID:24672360

The MEMS Knudsen Compressor as a Vacuum Pump for Space Exploration Applications

NASA Technical Reports Server (NTRS)

Vargo, S. E.; Muntz, E. P.; Tang, W. C.

2000-01-01

Several lander, probe and rover missions currently under study at the Jet Propulsion Laboratory (JPL) and especially in the Microdevices Laboratory (MDL) Center for Space Microelectronics Technology, focus on utilizing microelectromechanical systems (MEMS) based instruments for science data gathering. These small instruments and NASA's commitment to "faster, better, cheaper" type missions has brought about the need for novel approaches to satisfying mission requirements. Existing in-situ instrument systems clearly lack novel and integrated methods for satisfying their vacuum needs. One attractive candidate for a MEMS vacuum pump is the Knudsen Compressor, which operates based on thermal transpiration. Thermal transpiration describes gas flows induced by temperature differences maintained across orifices, porous membranes or capillary tubes under rarefied conditions. This device has two overwhelmingly attractive features as a MEMS vacuum pump - no moving parts and no fluids. An initial estimate of a Knudsen Compressor's pumping power requirements for a surface atmospheric sampling task on Mars is less than 80 mW, significantly below than alternative pumps. Due to the relatively low energy use for this task and the applicability of the Knudsen Compressor to other applications, the development of a Knudsen Compressor utilizing MEMS fabrication techniques has been initiated. This paper discusses the initial fabrication of a single-stage MEMS Knudsen Compressor vacuum pump, provides performance criteria such as pumping speed, size, energy use and ultimate pressure and details vacuum pump applications in several MDL related in-situ instruments.

Accuracy of the lattice Boltzmann method for describing the behavior of a gas in the continuum limit.

PubMed

Kataoka, Takeshi; Tsutahara, Michihisa

2010-11-01

The accuracy of the lattice Boltzmann method (LBM) for describing the behavior of a gas in the continuum limit is systematically investigated. The asymptotic analysis for small Knudsen numbers is carried out to derive the corresponding fluid-dynamics-type equations, and the errors of the LBM are estimated by comparing them with the correct fluid-dynamics-type equations. We discuss the following three important cases: (I) the Mach number of the flow is much smaller than the Knudsen number, (II) the Mach number is of the same order as the Knudsen number, and (III) the Mach number is finite. From the von Karman relation, the above three cases correspond to the flows of (I) small Reynolds number, (II) finite Reynolds number, and (III) large Reynolds number, respectively. The analysis is made with the information only of the fundamental properties of the lattice Boltzmann models without stepping into their detailed form. The results are therefore applicable to various lattice Boltzmann models that satisfy the fundamental properties used in the analysis.

Close-Spaced High Temperature Knudsen Flow.

DTIC Science & Technology

1984-06-15

study of discharge processes in Knudsen mode (collisionless), thermionic energy converters. Areas of research involve mechanism for reducing the...The mechanisms we have chosen to study are: reduction of space-charge through a very close inter- electrode gap (less than 10 microns); transport and...AD-AI4U 471 :NNTIM R~ A Rl M ,i; ,11 , i J)W R8 1070 1 I~ "i E~Hhhh IIt Ll ~ : RASOR ASSOCIATES, INC.- AFOSR.TR. 84-1070 NSR-22-2 CLOSE -SPACED HIGH

Longitudinal vibration and instabilities of carbon nanotubes conveying fluid considering size effects of nanoflow and nanostructure

NASA Astrophysics Data System (ADS)

Oveissi, Soheil; Eftekhari, S. Ali; Toghraie, Davood

2016-09-01

In this study, the effects of small-scale of the both nanoflow and nanostructure on the vibrational response of fluid flowing single-walled carbon nanotubes are investigated. To this purpose, two various flowing fluids, the air-nano-flow and the water nano-flow using Knudsen number, and two different continuum theories, the nonlocal theory and the strain-inertia gradient theory are studied. Nano-rod model is used to model the fluid-structure interaction, and Galerkin method of weighted residual is utilizing to solve and discretize the governing obtained equations. It is found that the critical flow velocity decreases as the wave number increases, excluding the first mode divergence that it has the least value among of the other instabilities if the strain-inertia gradient theory is employed. Moreover, it is observed that Kn effect has considerable impact on the reduction of critical velocities especially for the air-flow flowing through the CNT. In addition, by increasing a nonlocal parameter and Knudsen number the critical flow velocity decreases but it increases as the characteristic length related to the strain-inertia gradient theory increases.

Micro/Nano-pore Network Analysis of Gas Flow in Shale Matrix

PubMed Central

Zhang, Pengwei; Hu, Liming; Meegoda, Jay N.; Gao, Shengyan

2015-01-01

The gas flow in shale matrix is of great research interests for optimized shale gas extraction. The gas flow in the nano-scale pore may fall in flow regimes such as viscous flow, slip flow and Knudsen diffusion. A 3-dimensional nano-scale pore network model was developed to simulate dynamic gas flow, and to describe the transient properties of flow regimes. The proposed pore network model accounts for the various size distributions and low connectivity of shale pores. The pore size, pore throat size and coordination number obey normal distribution, and the average values can be obtained from shale reservoir data. The gas flow regimes were simulated using an extracted pore network backbone. The numerical results show that apparent permeability is strongly dependent on pore pressure in the reservoir and pore throat size, which is overestimated by low-pressure laboratory tests. With the decrease of reservoir pressure, viscous flow is weakening, then slip flow and Knudsen diffusion are gradually becoming dominant flow regimes. The fingering phenomenon can be predicted by micro/nano-pore network for gas flow, which provides an effective way to capture heterogeneity of shale gas reservoir. PMID:26310236

Micro/Nano-pore Network Analysis of Gas Flow in Shale Matrix.

PubMed

Zhang, Pengwei; Hu, Liming; Meegoda, Jay N; Gao, Shengyan

2015-08-27

The gas flow in shale matrix is of great research interests for optimized shale gas extraction. The gas flow in the nano-scale pore may fall in flow regimes such as viscous flow, slip flow and Knudsen diffusion. A 3-dimensional nano-scale pore network model was developed to simulate dynamic gas flow, and to describe the transient properties of flow regimes. The proposed pore network model accounts for the various size distributions and low connectivity of shale pores. The pore size, pore throat size and coordination number obey normal distribution, and the average values can be obtained from shale reservoir data. The gas flow regimes were simulated using an extracted pore network backbone. The numerical results show that apparent permeability is strongly dependent on pore pressure in the reservoir and pore throat size, which is overestimated by low-pressure laboratory tests. With the decrease of reservoir pressure, viscous flow is weakening, then slip flow and Knudsen diffusion are gradually becoming dominant flow regimes. The fingering phenomenon can be predicted by micro/nano-pore network for gas flow, which provides an effective way to capture heterogeneity of shale gas reservoir.

Cylindrical Couette flow of a rarefied gas: Effect of a boundary condition on the inverted velocity profile.

PubMed

Kosuge, Shingo

2015-07-01

The cylindrical Couette flow of a rarefied gas between a rotating inner cylinder and a stationary outer cylinder is investigated under the following two kinds of kinetic boundary conditions. One is the modified Maxwell-type boundary condition proposed by Dadzie and Méolans [J. Math. Phys. 45, 1804 (2004)] and the other is the Cercignani-Lampis condition, both of which have separate accommodation coefficients associated with the molecular velocity component normal to the boundary and with the tangential component. An asymptotic analysis of the Boltzmann equation for small Knudsen numbers and a numerical analysis of the Bhatnagar-Gross-Krook model equation for a wide range of the Knudsen number are performed to clarify the effect of each accommodation coefficient as well as of the boundary condition itself on the behavior of the gas, especially on the flow-velocity profile. As a result, the velocity-slip and temperature-jump conditions corresponding to the above kinetic boundary conditions are derived, which are necessary for the fluid-dynamic description of the problem for small Knudsen numbers. The parameter range for the onset of the velocity inversion phenomenon, which is related mainly to the decrease in the tangential momentum accommodation, is also obtained.

Lunar soil properties and soil mechanics. Flow in porous media under rarefied gas conditions. Research phase: Fluid conductivity of lunar surface materials

NASA Technical Reports Server (NTRS)

Hurlbut, F. C.; Jih, C. R.

1972-01-01

Theoretical and experimental research on fluid conductivity of lunar surface materials is summarized. Theoretical methods were developed for the analysis of transitional and free-molecular flows, and for analysis of lunar permeability probe data in general. Experimental studies of rarefied flows under conditions of a large pressure gradient show flows in the continuum regime to be responsible for the largest portion of the pressure drop between source and sink for one dimensional flow, provided the entrance Knudsen number is sufficiently small. The concept of local similarity leading to a universal nondimensional function of Knudsen number was shown to have approximate validity; flows in all regimes may be described in terms of an area fraction and a single length parameter. Synthetic porous media prepared from glass beads exhibited flow behavior similar in many regards to that of a natural sandstone; studies using artificial stones with known pore configurations may lead to new insight concerning the structure of natural materials. The experimental method involving the use of segmented specimens of large permeability is shown to be fruitful.

Liquid slip over gas nanofilms

NASA Astrophysics Data System (ADS)

Ramisetti, Srinivasa B.; Borg, Matthew K.; Lockerby, Duncan A.; Reese, Jason M.

2017-08-01

We propose the rarefied-gas-cushion model (r-GCM), as an extended version of the gas-cushion model (GCM), to estimate the apparent slip of water flowing over a gas layer trapped at a solid surface. Nanobubbles or gas nanofilms may manifest rarefied-gas effects and the r-GCM incorporates kinetic boundary conditions for the gas component in the slip Knudsen regime. These enable an apparent hydrodynamic slip length to be calculated given the gas thickness, the Knudsen number, and the bulk fluid viscosities. We assess the r-GCM through nonequilibrium molecular dynamics (NEMD) simulations of shear-driven liquid flow over an infinite gas nanofilm covering a solid surface, from the gas slip regime to the early transition regime, beyond which NEMD is computationally impractical. We find that, over the flow regimes examined, the r-GCM provides better predictions of the apparent liquid slip and retrieves both the GCM and the free-molecular behavior in the appropriate limits.

Efficient kinetic method for fluid simulation beyond the Navier-Stokes equation.

PubMed

Zhang, Raoyang; Shan, Xiaowen; Chen, Hudong

2006-10-01

We present a further theoretical extension to the kinetic-theory-based formulation of the lattice Boltzmann method of Shan [J. Fluid Mech. 550, 413 (2006)]. In addition to the higher-order projection of the equilibrium distribution function and a sufficiently accurate Gauss-Hermite quadrature in the original formulation, a regularization procedure is introduced in this paper. This procedure ensures a consistent order of accuracy control over the nonequilibrium contributions in the Galerkin sense. Using this formulation, we construct a specific lattice Boltzmann model that accurately incorporates up to third-order hydrodynamic moments. Numerical evidence demonstrates that the extended model overcomes some major defects existing in conventionally known lattice Boltzmann models, so that fluid flows at finite Knudsen number Kn can be more quantitatively simulated. Results from force-driven Poiseuille flow simulations predict the Knudsen's minimum and the asymptotic behavior of flow flux at large Kn.

Thermally induced rarefied gas flow in a three-dimensional enclosure with square cross-section

NASA Astrophysics Data System (ADS)

Zhu, Lianhua; Yang, Xiaofan; Guo, Zhaoli

2017-12-01

Rarefied gas flow in a three-dimensional enclosure induced by nonuniform temperature distribution is numerically investigated. The enclosure has a square channel-like geometry with alternatively heated closed ends and lateral walls with a linear temperature distribution. A recently proposed implicit discrete velocity method with a memory reduction technique is used to numerically simulate the problem based on the nonlinear Shakhov kinetic equation. The Knudsen number dependencies of the vortices pattern, slip velocity at the planar walls and edges, and heat transfer are investigated. The influences of the temperature ratio imposed at the ends of the enclosure and the geometric aspect ratio are also evaluated. The overall flow pattern shows similarities with those observed in two-dimensional configurations in literature. However, features due to the three-dimensionality are observed with vortices that are not identified in previous studies on similar two-dimensional enclosures at high Knudsen and small aspect ratios.

Generalized Knudsen Number for Oscillatory Flows Generated by MEMS and NEMS Resonators

NASA Astrophysics Data System (ADS)

Ekinci, Kamil; Kara, Vural; Yakhot, Victor

2017-11-01

We have explored the scaling behavior of oscillatory flows that are generated by the oscillations of MEMS and NEMS resonators in a gas. If the gas is gradually rarefied, the Navier-Stokes equations begin to fail and a kinetic description of the flow becomes more appropriate. The failure of the Navier-Stokes equations can be thought to take place via two different physical mechanisms: either the continuum hypothesis breaks down as a result of a finite size effect; or local equilibrium is violated due to the high rate of strain. By independently tuning the relevant linear dimensions and the frequencies of the MEMS and NEMS resonators, we experimentally observe these two different physical mechanisms. All the experimental data, however, can be collapsed using a single dimensionless scaling parameter that combines the linear dimension and the frequency of each resonator. This proposed Knudsen number for oscillatory flows is rooted in a fundamental symmetry principle, namely Galilean invariance. We acknowledge support from US NSF through Grant No. CBET-1604075.

Study of the coupling between real gas effects and rarefied effects on hypersonic aerodynamics

NASA Astrophysics Data System (ADS)

Chen, Song; Hu, Yuan; Sun, Quanhua

2012-11-01

Hypersonic vehicles travel across the atmosphere at very high speed, and the surrounding gas experiences complicated physical and chemical processes. These processes produce real gas effects at high temperature and rarefied gas effects at high altitude where the two effects are coupled through molecular collisions. In this study, we aim to identify the individual real gas and rarefied gas effects by simulating hypersonic flow over a 2D cylinder, a sphere and a blunted cone using a continuum-based CFD approach and the direct simulation Monte Carlo method. It is found that physical processes such as vibrational excitation and chemical reaction will reduce significantly the shock stand-off distance and flow temperature for flows having small Knudsen number. The calculated skin friction and surface heat flux will decrease when the real gas effects are considered in simulations. The trend, however, gets weakened as the Knudsen number increases. It is concluded that the rarefied gas effects weaken the real gas effects on hypersonic flows.

Rarefaction Effects in Hypersonic Aerodynamics

NASA Astrophysics Data System (ADS)

Riabov, Vladimir V.

2011-05-01

The Direct Simulation Monte-Carlo (DSMC) technique is used for numerical analysis of rarefied-gas hypersonic flows near a blunt plate, wedge, two side-by-side plates, disk, torus, and rotating cylinder. The role of various similarity parameters (Knudsen and Mach numbers, geometrical and temperature factors, specific heat ratios, and others) in aerodynamics of the probes is studied. Important kinetic effects that are specific for the transition flow regime have been found: non-monotonic lift and drag of plates, strong repulsive force between side-by-side plates and cylinders, dependence of drag on torus radii ratio, and the reverse Magnus effect on the lift of a rotating cylinder. The numerical results are in a good agreement with experimental data, which were obtained in a vacuum chamber at low and moderate Knudsen numbers from 0.01 to 10.

Gas Phase Pressure Effects on the Apparent Thermal Conductivity of JSC-1A Lunar Regolith Simulant

NASA Technical Reports Server (NTRS)

Yuan, Zeng-Guang; Kleinhenz, Julie E.

2011-01-01

Gas phase pressure effects on the apparent thermal conductivity of a JSC-1A/air mixture have been experimentally investigated under steady state thermal conditions from 10 kPa to 100 kPa. The result showed that apparent thermal conductivity of the JSC-1A/air mixture decreased when pressure was lowered to 80 kPa. At 10 kPa, the conductivity decreased to 0.145 W/m/degree C, which is significantly lower than 0.196 W/m/degree C at 100 kPa. This finding is consistent with the results of previous researchers. The reduction of the apparent thermal conductivity at low pressures is ascribed to the Knudsen effect. Since the characteristic length of the void space in bulk JSC-1A varies over a wide range, both the Knudsen regime and continuum regime can coexist in the pore space. The volume ratio of the two regimes varies with pressure. Thus, as gas pressure decreases, the gas volume controlled by Knudsen regime increases. Under Knudsen regime the resistance to the heat flow is higher than that in the continuum regime, resulting in the observed pressure dependency of the apparent thermal conductivity.

Hydrodynamics, wall-slip, and normal-stress differences in rarefied granular Poiseuille flow

NASA Astrophysics Data System (ADS)

Gupta, Ronak; Alam, Meheboob

2017-02-01

Hydrodynamic fields, macroscopic boundary conditions, and non-Newtonian rheology of the acceleration-driven Poiseuille flow of a dilute granular gas are probed using "direct simulation Monte Carlo" method for a range of Knudsen numbers (Kn, the ratio between the mean free path and the macroscopic length), spanning the rarefied regime of slip and transitional flows. It is shown that the "dissipation-induced clustering" (for 1 -en>0 , where en is the restitution coefficient), leading to inhomogeneous density profiles along the transverse direction, competes with "rarefaction-induced declustering" (for Kn>0 ) phenomenon, leaving seemingly "anomalous" footprints on several hydrodynamic and rheological quantities; one example is the well-known rarefaction-induced temperature bimodality, which could also result from inelastic dissipation that dominates in the continuum limit (Kn→0 ) as found recently [Alam et al., J. Fluid Mech. 782, 99 (2015), 10.1017/jfm.2015.523]. The simulation data on the slip velocity and the temperature slip are contrasted with well-established boundary conditions for molecular gases. A modified Maxwell-Navier-type boundary condition is found to hold in granular Poiseuille flow, with the velocity slip length following a power-law relation with Knudsen number Knδ, with δ ≈0.95 , for Kn≤0.1 . Transverse profiles of both first [N1(y ) ] and second [N2(y ) ] normal stress differences seem to correlate well with respective density profiles at small Kn; their centerline values [N1(0 ) and N2(0 ) ] can be of "odd" sign with respect to their counterparts in molecular gases. The phase diagrams are constructed in the (Kn,1 -en ) plane that demarcates the regions of influence of inelasticity and rarefaction, which compete with each other resulting in the sign change of both N1(0 ) and N2(0 ) . The results on normal stress differences are rationalized via a comparison with a Burnett-order theory [Sela and Goldhirsch, J. Fluid Mech. 361, 41 (1998), 10.1017/S0022112098008660], which is able to predict their correct behavior at small values of the Knudsen number. Lastly, the Knudsen paradox and its dependence on inelasticity are analyzed and contrasted with related recent works.

Lattice Boltzmann approach for complex nonequilibrium flows.

PubMed

Montessori, A; Prestininzi, P; La Rocca, M; Succi, S

2015-10-01

We present a lattice Boltzmann realization of Grad's extended hydrodynamic approach to nonequilibrium flows. This is achieved by using higher-order isotropic lattices coupled with a higher-order regularization procedure. The method is assessed for flow across parallel plates and three-dimensional flows in porous media, showing excellent agreement of the mass flow with analytical and numerical solutions of the Boltzmann equation across the full range of Knudsen numbers, from the hydrodynamic regime to ballistic motion.

Estimation of Knudsen diffusion coefficients from tracer experiments conducted with a binary gas system and a porous medium.

PubMed

Hibi, Yoshihiko; Kashihara, Ayumi

2018-03-01

A previous study has reported that Knudsen diffusion coefficients obtained by tracer experiments conducted with a binary gas system and a porous medium are consistently smaller than those obtained by permeability experiments conducted with a single-gas system and a porous medium. To date, however, that study is the only one in which tracer experiments have been conducted with a binary gas system. Therefore, to confirm this difference in Knudsen diffusion coefficients, we used a method we had developed previously to conduct tracer experiments with a binary carbon dioxide-nitrogen gas system and five porous media with permeability coefficients ranging from 10 -13 to 10 -11  m 2 . The results showed that the Knudsen diffusion coefficient of N 2 (D N2 ) (cm 2 /s) was related to the effective permeability coefficient k e (m 2 ) as D N2  = 7.39 × 10 7 k e 0.767 . Thus, the Knudsen diffusion coefficients of N 2 obtained by our tracer experiments were consistently 1/27 of those obtained by permeability experiments conducted with many porous media and air by other researchers. By using an inversion simulation to fit the advection-diffusion equation to the distribution of concentrations at observation points calculated by mathematically solving the equation, we confirmed that the method used to obtain the Knudsen diffusion coefficient in this study yielded accurate values. Moreover, because the Knudsen diffusion coefficient did not differ when columns with two different lengths, 900 and 1500 mm, were used, this column property did not influence the flow of gas in the column. The equation of the dusty gas model already includes obstruction factors for Knudsen diffusion and molecular diffusion, which relate to medium heterogeneity and tortuosity and depend only on the structure of the porous medium. Furthermore, there is no need to take account of any additional correction factor for molecular diffusion except the obstruction factor because molecular diffusion is only treated in a multicomponent gas system. Thus, molecular diffusion considers only the obstruction factor related to tortuosity. Therefore, we introduced a correction factor for a multicomponent gas system into the DGM equation, multiplying the Knudsen diffusion coefficient, which includes the obstruction factor related to tortuosity, by this correction factor. From the present experimental results, the value of this correction factor was 1/27, and it depended only on the structure of the gas system in the porous medium. Copyright © 2018 Elsevier B.V. All rights reserved.

Estimation of Knudsen diffusion coefficients from tracer experiments conducted with a binary gas system and a porous medium

NASA Astrophysics Data System (ADS)

Hibi, Yoshihiko; Kashihara, Ayumi

2018-03-01

A previous study has reported that Knudsen diffusion coefficients obtained by tracer experiments conducted with a binary gas system and a porous medium are consistently smaller than those obtained by permeability experiments conducted with a single-gas system and a porous medium. To date, however, that study is the only one in which tracer experiments have been conducted with a binary gas system. Therefore, to confirm this difference in Knudsen diffusion coefficients, we used a method we had developed previously to conduct tracer experiments with a binary carbon dioxide-nitrogen gas system and five porous media with permeability coefficients ranging from 10-13 to 10-11 m2. The results showed that the Knudsen diffusion coefficient of N2 (DN2) (cm2/s) was related to the effective permeability coefficient ke (m2) as DN2 = 7.39 × 107ke0.767. Thus, the Knudsen diffusion coefficients of N2 obtained by our tracer experiments were consistently 1/27 of those obtained by permeability experiments conducted with many porous media and air by other researchers. By using an inversion simulation to fit the advection-diffusion equation to the distribution of concentrations at observation points calculated by mathematically solving the equation, we confirmed that the method used to obtain the Knudsen diffusion coefficient in this study yielded accurate values. Moreover, because the Knudsen diffusion coefficient did not differ when columns with two different lengths, 900 and 1500 mm, were used, this column property did not influence the flow of gas in the column. The equation of the dusty gas model already includes obstruction factors for Knudsen diffusion and molecular diffusion, which relate to medium heterogeneity and tortuosity and depend only on the structure of the porous medium. Furthermore, there is no need to take account of any additional correction factor for molecular diffusion except the obstruction factor because molecular diffusion is only treated in a multicomponent gas system. Thus, molecular diffusion considers only the obstruction factor related to tortuosity. Therefore, we introduced a correction factor for a multicomponent gas system into the DGM equation, multiplying the Knudsen diffusion coefficient, which includes the obstruction factor related to tortuosity, by this correction factor. From the present experimental results, the value of this correction factor was 1/27, and it depended only on the structure of the gas system in the porous medium.

Formation of recurring slope lineae on Mars by rarefied gas-triggered granular flows

NASA Astrophysics Data System (ADS)

Schmidt, F.; Andrieu, F.; Costard, F.; Kocifaj, M.; Meresescu, A. G.

2017-09-01

Recurring Slope Linae or RSL are seasonal dark features appearing when the soil reaches its maximum temperature. They appear on various slopes at the equator of Mars, in orientation depending on the season. Today, liquid water related processes have been promoted, such as deliquescence of salts. Nevertheless external atmospheric source of water is inconsistent with the observations. Internal source is also very unlikely. We take into consideration here the force occurring when the sun illuminates granular soil in rarefied gas conditions to produce a Knudsen pump. This process significantly lowers the angle of repose of sandy material. Hence, relatively low slope could start to flow. RSL seems to originate from rough terrains and boulders. We propose that the local shadows due to boulders over the soil, is the triggering phenomena. In this case, the Knudsen pump is magnified and could lead to flow. This new exotic dry process involving neither water nor CO2 and is consistent with the seasonal and facet's orientation appearance of RSL.

A dynamic response model for pressure sensors in continuum and high Knudsen number flows with large temperature gradients

NASA Technical Reports Server (NTRS)

Whitmore, Stephen A.; Petersen, Brian J.; Scott, David D.

1996-01-01

This paper develops a dynamic model for pressure sensors in continuum and rarefied flows with longitudinal temperature gradients. The model was developed from the unsteady Navier-Stokes momentum, energy, and continuity equations and was linearized using small perturbations. The energy equation was decoupled from momentum and continuity assuming a polytropic flow process. Rarefied flow conditions were accounted for using a slip flow boundary condition at the tubing wall. The equations were radially averaged and solved assuming gas properties remain constant along a small tubing element. This fundamental solution was used as a building block for arbitrary geometries where fluid properties may also vary longitudinally in the tube. The problem was solved recursively starting at the transducer and working upstream in the tube. Dynamic frequency response tests were performed for continuum flow conditions in the presence of temperature gradients. These tests validated the recursive formulation of the model. Model steady-state behavior was analyzed using the final value theorem. Tests were performed for rarefied flow conditions and compared to the model steady-state response to evaluate the regime of applicability. Model comparisons were excellent for Knudsen numbers up to 0.6. Beyond this point, molecular affects caused model analyses to become inaccurate.

Knudsen cell: Investigations about the uptake of important traces gases on ambient airborne mineral dust

NASA Astrophysics Data System (ADS)

Horn, Sabrina; Herrmann, Hartmut

2013-04-01

Mineral dust constitutes one of the largest mass fractions of natural aerosol. Its emission is estimated between 800 - 2000 Tg/a]. The dust is emitted through sand and dust storms in the arid regions of our planet, in particular by the great desserts such as the Sahara. The complex chemical composition of mineral dust is similar to crust material, because the dust is produced by soil erosion. The main components of mineral dust are SiO2 and Al2O3, whereas the active oxides (Fe2O3, TiO2) show some variety in content due to the dust source region. Mineral dust particles can be transported over several 1000 km and during its transport the surface can be changed by the uptake of water vapor and trace gases. On such modified surfaces homo- and heterogeneous reactions can occur. Trace gas uptakes play an important role in atmospheric chemistry as sinks or sources for several gaseous species. Hence, it is necessary to study these reactions. Among several experimental setups, the Knudsen cell is one of the promising tools to study reactive uptakes from the gas phase and the release of products formed by dust surface-mediated reactions. The Knudsen cell, implemented by Golden et al. in 1975, is a high vacuum flow reactor operating under molecular flow conditions, i.e., gas-wall collisions are highly preferred over gas-gas collisions. Despite several Knudsen cell studies examining the reaction between different traces gases and model dust surfaces constituted of not more than a few components, no measurements utilizing collected ambient mineral dust are done so far. For a better understanding of the chemistry on mineral dust surfaces gas uptake measurements will be done with a Knudsen cell. The first measurements are done with isopropanol on TiO2. Afterwards there are studies with different substrates like, Al2O3 (α- and γ-phase), FeO2, Arizona test dust, air collected mineral dust from the Cap Verde islands. In the beginning SO2, NO2 and HNO3 will be used.

Microstructure actuation and gas sensing by the Knudsen thermal force

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strongrich, Andrew; Alexeenko, Alina, E-mail: alexeenk@purdue.edu

2015-11-09

The generation of forces and moments on structures immersed in rarefied non-isothermal gas flows has received limited practical implementation since first being discovered over a century ago. The formation of significant thermal stresses requires both large thermal gradients and characteristic dimensions which are comparable to the gas molecular mean free path. For macroscopic geometries, this necessitates impractically high temperatures and very low pressures. At the microscale, however, these conditions are easily achieved, allowing the effects to be exploited, namely, for gas-property sensing and microstructure actuation. In this letter, we introduce and experimentally evaluate performance of a microelectromechanical in-plane Knudsen radiometricmore » actuator, a self-contained device having Knudsen thermal force generation, sensing, and tuning mechanisms integrated onto the same platform. Sensitivity to ambient pressure, temperature gradient, as well as gas composition is demonstrated. Results are presented in terms of a non-dimensional force coefficient, allowing measurements to be directly compared to the previous experimental and computational data on out-of-plane cantilevered configurations.« less

Slip-flow in complex porous media as determined by a multi-relaxation-time lattice Boltzmann model

NASA Astrophysics Data System (ADS)

Landry, C. J.; Prodanovic, M.; Eichhubl, P.

2014-12-01

The pores and throats of shales and mudrocks are predominantly found within a range of 1-100 nm, within this size range the flow of gas at reservoir conditions will fall within the slip-flow and low transition-flow regime (0.001 < Kn < 0.5). Currently, the study of slip-flows is for the most part limited to simple tube and channel geometries, however, the geometry of mudrock pores is often sponge-like (organic matter) and/or platy (clays). Molecular dynamics (MD) simulations can be used to predict slip-flow in complex geometries, but due to prohibitive computational demand are generally limited to small volumes (one to several pores). Here we present a multi-relaxation-time lattice Boltzmann model (LBM) parameterized for slip-flow (Guo et al. 2008) and adapted here to complex geometries. LBMs are inherently parallelizable, such that flow in complex geometries of significant (near REV-scale) volumes can be readily simulated at a fraction of the computational cost of MD simulations. At the macroscopic-scale the LBM is parameterized with local effective viscosities at each node to capture the variance of the mean-free-path of gas molecules in a bounded system. The corrected mean-free-path for each lattice node is determined using the mean distance of the node to the pore-wall and Stop's correction for mean-free-paths in an infinite parallel-plate geometry. At the microscopic-scale, a combined bounce-back specular-reflection boundary condition is applied to the pore-wall nodes to capture Maxwellian-slip. The LBM simulation results are first validated in simple tube and channel geometries, where good agreement is found for Knudsen numbers below 0.1, and fair agreement is found for Knudsen numbers between 0.1 and 0.5. More complex geometries are then examined including triangular-ducts and ellipsoid-ducts, both with constant and tapering/expanding cross-sections, as well as a clay pore-network imaged from a hydrocarbon producing shale by sequential focused ion-beam scanning electron microscopy. These results are analyzed to determine grid-independent resolutions, and used to explore the relationship between effective permeability and Knudsen number in complex geometries.

Investigation of the Klinkenberg effect in a micro/nanoporous medium by direct simulation Monte Carlo method

NASA Astrophysics Data System (ADS)

Yang, Guang; Weigand, Bernhard

2018-04-01

The pressure-driven gas transport characteristics through a porous medium consisting of arrays of discrete elements is investigated by using the direct simulation Monte Carlo (DSMC) method. Different porous structures are considered, accounting for both two- and three-dimensional arrangements of basic microscale and nanoscale elements. The pore scale flow patterns in the porous medium are obtained, and the Knudsen diffusion in the pores is studied in detail for slip and transition flow regimes. A new effective pore size of the porous medium is defined, which is a function of the porosity, the tortuosity, the contraction factor, and the intrinsic permeability of the porous medium. It is found that the Klinkenberg effect in different porous structures can be fully described by the Knudsen number characterized by the effective pore size. The accuracies of some widely used Klinkenberg correlations are evaluated by the present DSMC results. It is also found that the available correlations for apparent permeability, most of which are derived from simple pipe or channel flows, can still be applicative for more complex porous media flows, by using the effective pore size defined in this study.

Slip flow through a converging microchannel: experiments and 3D simulations

NASA Astrophysics Data System (ADS)

Varade, Vijay; Agrawal, Amit; Pradeep, A. M.

2015-02-01

An experimental and 3D numerical study of gaseous slip flow through a converging microchannel is presented in this paper. The measurements reported are with nitrogen gas flowing through the microchannel with convergence angles (4°, 8° and 12°), hydraulic diameters (118, 147 and 177 µm) and lengths (10, 20 and 30 mm). The measurements cover the entire slip flow regime and a part of the continuum and transition regimes (the Knudsen number is between 0.0004 and 0.14); the flow is laminar (the Reynolds number is between 0.5 and 1015). The static pressure drop is measured for various mass flow rates. The overall pressure drop increases with a decrease in the convergence angle and has a relatively large contribution of the viscous component. The numerical solutions of the Navier-Stokes equations with Maxwell’s slip boundary condition explore two different flow behaviors: uniform centerline velocity with linear pressure variation in the initial and the middle part of the microchannel and flow acceleration with nonlinear pressure variation in the last part of the microchannel. The centerline velocity and the wall shear stress increase with a decrease in the convergence angle. The concept of a characteristic length scale for a converging microchannel is also explored. The location of the characteristic length is a function of the Knudsen number and approaches the microchannel outlet with rarefaction. These results on gaseous slip flow through converging microchannels are observed to be considerably different than continuum flow.

Two dimensional analysis of low pressure flows in the annulus region between two concentric cylinders.

PubMed

Al-Kouz, Wael; Alshare, Aiman; Alkhalidi, Ammar; Kiwan, Suhil

2016-01-01

A numerical simulation of the steady two-dimensional laminar natural convection heat transfer for the gaseous low-pressure flows in the annulus region between two concentric horizontal cylinders is carried out. This type of flow occurs in "evacuated" solar collectors and in the receivers of the solar parabolic trough collectors. A finite volume code is used to solve the coupled set of governing equations. Boussinesq approximation is utilized to model the buoyancy effect. A correlation for the thermal conductivity ratio (k r = k eff/k) in terms of Knudsen number and the modified Rayleigh number is proposed for Prandtl number (Pr = 0.701). It is found that as Knudsen number increases then the thermal conductivity ratio decreases for a given Rayleigh number. Also, it is shown that the thermal conductivity ratio k r increases as Rayleigh number increases. It appears that there is no consistent trend for varying the dimensionless gap spacing between the inner and the outer cylinder ([Formula: see text]) on the thermal conductivity ratio (k r) for the considered spacing range.

Numerical investigations in the backflow region of a vacuum plume

NASA Technical Reports Server (NTRS)

Liaw, Goang-Shin

1992-01-01

The objective of this research is to numerically simulate the vacuum plume flow field in the backflow region of a low thrust nozzle exit. In space applications, the low thrust nozzles are used as a propulsion device to control the vehicle attitude, or to maneuver the vehicle flight trajectory. When the spacecraft is deployed in the orbit or cruising in a planetary mission, the vacuum plume is created behind the nozzle exit (so called backflow region), by the exhausting gas of the propulsion system or by venting internal gas to the extremely low density ambient. The low density vacuum plume flow regions cover the continuum, transitional and free molecular flow regimes, which were characterized by the Knudsen number K(sub n), K(sub n) = lambda(sub m)/L where lambda(sub m) is the mean free path of the gas molecules and L is the characteristic length of the flow field. The transitional regime is defined by 0.01 is less than or equal to K(sub n) is less than or equal to 10. The conventional Navier-Stokes equations are valid only in the flow region close to the nozzle exit since the validity of the Navier-Stokes equations fails asymptotically as the Knudsen number increases. The vacuum plume characteristics prediction is primarily a problem of transitional aerodynamics.

Rarefied gas electro jet (RGEJ) micro-thruster for space propulsion

NASA Astrophysics Data System (ADS)

Blanco, Ariel; Roy, Subrata

2017-11-01

This article numerically investigates a micro-thruster for small satellites which utilizes plasma actuators to heat and accelerate the flow in a micro-channel with rarefied gas in the slip flow regime. The inlet plenum condition is considered at 1 Torr with flow discharging to near vacuum conditions (<0.05 Torr). The Knudsen numbers at the inlet and exit planes are ~0.01 and ~0.1, respectively. Although several studies have been performed in micro-hallow cathode discharges at constant pressure, to our knowledge, an integrated study of the glow discharge physics and resulting fluid flow of a plasma thruster under these low pressure and low Knudsen number conditions is yet to be reported. Numerical simulations of the charge distribution due to gas ionization processes and the resulting rarefied gas flow are performed using an in-house code. The mass flow rate, thrust, specific impulse, power consumption and the thrust effectiveness of the thruster are predicted based on these results. The ionized gas is modelled using local mean energy approximation. An electrically induced body force and a thermal heating source are calculated based on the space separated charge distribution and the ion Joule heating, respectively. The rarefied gas flow with these electric force and heating source is modelled using density-based compressible flow equations with slip flow boundary conditions. The results show that a significant improvement of specific impulse can be achieved over highly optimized cold gas thrusters using the same propellant.

Generalized lattice Boltzmann model for flow through tight porous media with Klinkenberg's effect

NASA Astrophysics Data System (ADS)

Chen, Li; Fang, Wenzhen; Kang, Qinjun; De'Haven Hyman, Jeffrey; Viswanathan, Hari S.; Tao, Wen-Quan

2015-03-01

Gas slippage occurs when the mean free path of the gas molecules is in the order of the characteristic pore size of a porous medium. This phenomenon leads to Klinkenberg's effect where the measured permeability of a gas (apparent permeability) is higher than that of the liquid (intrinsic permeability). A generalized lattice Boltzmann model is proposed for flow through porous media that includes Klinkenberg's effect, which is based on the model of Guo et al. [Phys. Rev. E 65, 046308 (2002), 10.1103/PhysRevE.65.046308]. The second-order Beskok and Karniadakis-Civan's correlation [A. Beskok and G. Karniadakis, Microscale Thermophys. Eng. 3, 43 (1999), 10.1080/108939599199864 and F. Civan, Transp. Porous Med. 82, 375 (2010), 10.1007/s11242-009-9432-z] is adopted to calculate the apparent permeability based on intrinsic permeability and the Knudsen number. Fluid flow between two parallel plates filled with porous media is simulated to validate the model. Simulations performed in a heterogeneous porous medium with components of different porosity and permeability indicate that Klinkenberg's effect plays a significant role on fluid flow in low-permeability porous media, and it is more pronounced as the Knudsen number increases. Fluid flow in a shale matrix with and without fractures is also studied, and it is found that the fractures greatly enhance the fluid flow and Klinkenberg's effect leads to higher global permeability of the shale matrix.

Expansion of a Rarefied Gas Cloud in a Vacuum: Asymptotic Treatment

NASA Astrophysics Data System (ADS)

Zhuk, V. I.

2018-02-01

The unsteady expansion of a rarefied gas of finite mass in an unlimited space is studied. The long-time asymptotic behavior of the solution is examined at Knudsen numbers tending to zero. An asymptotic analysis shows that, in the limit of small Knudsen numbers, the behavior of the macroscopic parameters of the expanding gas cloud at long times (i.e., for small density values) has nothing to do with the free-molecular or continuum flow regimes. This conclusion is unexpected and not obvious, but follows from a uniformly suitable solution constructed by applying the method of outer and inner asymptotic expansions. In particular, the unusual temperature behavior is of interest as applied to remote sensing of rocket exhaust plumes.

Design and Development of a Novel Knudsen Compressor as a Part of a Joule-Thomson Cryocooler

NASA Astrophysics Data System (ADS)

Muthuvijayan, Indra; Antelius, Mikael; Björneklett, Are; Nilsson, Peter; Thorslund, Robert

2017-11-01

This paper presents the design and development of a novel Knudsen compressor, with no moving parts, as a part of a Joule-Thomson cryocooler. The compressor works by using the Knudsen diffusion principle and includes a combination of graphene-based layers and Knudsen membranes in a particular fashion to pressurize the fluid. The Knudsen membrane for this application was selected by testing several commercially available materials. Prototypes of single stage and a multistage compressors are presented together with experimental evaluations. Insights on a Tube-in-Tube heat exchanger, as another part a the Joule-Thomson cryocooler, intended to integrate with the Knudsen compressor, are also presented.

Gas flow through rough microchannels in the transition flow regime.

PubMed

Deng, Zilong; Chen, Yongping; Shao, Chenxi

2016-01-01

A multiple-relaxation-time lattice Boltzmann model of Couette flow is developed to investigate the rarified gas flow through microchannels with roughness characterized by fractal geometry, especially to elucidate the coupled effects of roughness and rarefaction on microscale gas flow in the transition flow regime. The results indicate that the surface roughness effect on gas flow behavior becomes more significant in rarefied gas flow with the increase of Knudsen number. We find the gas flow behavior in the transition flow regime is more sensitive to roughness height than that in the slip flow regime. In particular, the influence of fractal dimension on rarefied gas flow behavior is less significant than roughness height.

Molecular simulation of small Knudsen number flows

NASA Astrophysics Data System (ADS)

Fei, Fei; Fan, Jing

2012-11-01

The direct simulation Monte Carlo (DSMC) method is a powerful particle-based method for modeling gas flows. It works well for relatively large Knudsen (Kn) numbers, typically larger than 0.01, but quickly becomes computationally intensive as Kn decreases due to its time step and cell size limitations. An alternative approach was proposed to relax or remove these limitations, based on replacing pairwise collisions with a stochastic model corresponding to the Fokker-Planck equation [J. Comput. Phys., 229, 1077 (2010); J. Fluid Mech., 680, 574 (2011)]. Similar to the DSMC method, the downside of that approach suffers from computationally statistical noise. To solve the problem, a diffusion-based information preservation (D-IP) method has been developed. The main idea is to track the motion of a simulated molecule from the diffusive standpoint, and obtain the flow velocity and temperature through sampling and averaging the IP quantities. To validate the idea and the corresponding model, several benchmark problems with Kn ˜ 10-3-10-4 have been investigated. It is shown that the IP calculations are not only accurate, but also efficient because they make possible using a time step and cell size over an order of magnitude larger than the mean collision time and mean free path, respectively.

Modeling of Gas Production from Shale Reservoirs Considering Multiple Transport Mechanisms.

PubMed

Guo, Chaohua; Wei, Mingzhen; Liu, Hong

2015-01-01

Gas transport in unconventional shale strata is a multi-mechanism-coupling process that is different from the process observed in conventional reservoirs. In micro fractures which are inborn or induced by hydraulic stimulation, viscous flow dominates. And gas surface diffusion and gas desorption should be further considered in organic nano pores. Also, the Klinkenberg effect should be considered when dealing with the gas transport problem. In addition, following two factors can play significant roles under certain circumstances but have not received enough attention in previous models. During pressure depletion, gas viscosity will change with Knudsen number; and pore radius will increase when the adsorption gas desorbs from the pore wall. In this paper, a comprehensive mathematical model that incorporates all known mechanisms for simulating gas flow in shale strata is presented. The objective of this study was to provide a more accurate reservoir model for simulation based on the flow mechanisms in the pore scale and formation geometry. Complex mechanisms, including viscous flow, Knudsen diffusion, slip flow, and desorption, are optionally integrated into different continua in the model. Sensitivity analysis was conducted to evaluate the effect of different mechanisms on the gas production. The results showed that adsorption and gas viscosity change will have a great impact on gas production. Ignoring one of following scenarios, such as adsorption, gas permeability change, gas viscosity change, or pore radius change, will underestimate gas production.

Numerical study of nonequilibrium gas flow in a microchannel with a ratchet surface.

PubMed

Zhu, Lianhua; Guo, Zhaoli

2017-02-01

The nonequilibrium gas flow in a two-dimensional microchannel with a ratchet surface and a moving wall is investigated numerically with a kinetic method [Guo et al., Phys. Rev. E 91, 033313 (2015)]PLEEE81539-375510.1103/PhysRevE.91.033313. The presence of periodic asymmetrical ratchet structures on the bottom wall of the channel and the temperature difference between the walls of the channel result in a thermally induced flow, and hence a tangential propelling force on the wall. Such thermally induced propelling mechanism can be utilized as a model heat engine. In this article, the relations between the propelling force and the top wall moving velocity are obtained by solving the Boltzmann equation with the Shakhov model deterministically in a wide range of Knudsen numbers. The flow fields at both the static wall state and the critical state at which the thermally induced force cancels the drag force due to the active motion of the top wall are analyzed. A counterintuitive relation between the flow direction and the shear force is observed in the highly rarefied condition. The output power and thermal efficiency of the system working as a model heat engine are analyzed based on the momentum and energy transfer between the walls. The effects of Knudsen number, temperature difference, and geometric configurations are investigated. Guidance for improving the mechanical performance is discussed.

Modeling of Gas Production from Shale Reservoirs Considering Multiple Transport Mechanisms

PubMed Central

Guo, Chaohua; Wei, Mingzhen; Liu, Hong

2015-01-01

Gas transport in unconventional shale strata is a multi-mechanism-coupling process that is different from the process observed in conventional reservoirs. In micro fractures which are inborn or induced by hydraulic stimulation, viscous flow dominates. And gas surface diffusion and gas desorption should be further considered in organic nano pores. Also, the Klinkenberg effect should be considered when dealing with the gas transport problem. In addition, following two factors can play significant roles under certain circumstances but have not received enough attention in previous models. During pressure depletion, gas viscosity will change with Knudsen number; and pore radius will increase when the adsorption gas desorbs from the pore wall. In this paper, a comprehensive mathematical model that incorporates all known mechanisms for simulating gas flow in shale strata is presented. The objective of this study was to provide a more accurate reservoir model for simulation based on the flow mechanisms in the pore scale and formation geometry. Complex mechanisms, including viscous flow, Knudsen diffusion, slip flow, and desorption, are optionally integrated into different continua in the model. Sensitivity analysis was conducted to evaluate the effect of different mechanisms on the gas production. The results showed that adsorption and gas viscosity change will have a great impact on gas production. Ignoring one of following scenarios, such as adsorption, gas permeability change, gas viscosity change, or pore radius change, will underestimate gas production. PMID:26657698

Measurements and computations of mass flow and momentum flux through short tubes in rarefied gases

NASA Astrophysics Data System (ADS)

Lilly, T. C.; Gimelshein, S. F.; Ketsdever, A. D.; Markelov, G. N.

2006-09-01

Gas flows through orifices and short tubes have been extensively studied from the 1960s through the 1980s for both fundamental and practical reasons. These flows are a basic and often important element of various modern gas driven instruments. Recent advances in micro- and nanoscale technologies have paved the way for a generation of miniaturized devices in various application areas, from clinical analyses to biochemical detection to aerospace propulsion. The latter is the main area of interest of this study, where rarefied gas flow into a vacuum through short tubes with thickness-to-diameter ratios varying from 0.015 to 1.2 is investigated both experimentally and numerically with kinetic and continuum approaches. Helium and nitrogen gases are used in the range of Reynolds numbers from 0.02 to 770 (based on the tube diameter), corresponding to Knudsen numbers from 40 down to about 0.001. Propulsion properties of relatively thin and thick tubes are examined. Good agreement between experimental and numerical results is observed for mass flow rate and momentum flux, the latter being corrected for the experimental facility background pressure. For thick-to-thin tube ratios of mass flow and momentum flux versus pressure, a minimum is observed at a Knudsen number of about 0.5. A short tube propulsion efficiency is shown to be much higher than that of a thin orifice. The effect of surface specularity on a thicker tube specific impulse was found to be relatively small.

Surface Composition Influence on Internal Gas Flow at Large Knudsen Numbers

DTIC Science & Technology

2000-07-09

situated in an ultra high vacuum system . The system is supplied with means of gas phase, surface CP585, Rarefied Gas Dynamics: 22nd International...control and gas flow measuring system . The experimental procedure consists in a few stages. The first stage includes surface preparation process at...solid body system , Proceedings 20-th Int. Symp. Rarefied Gas Dynamics, Peking University Press, Beijing, China, 1997, pp. 387-391. 3. Lord, R.G

Rarefaction and Non-equilibrium Effects in Hypersonic Flows about Leading Edges of Small Bluntness

NASA Astrophysics Data System (ADS)

Ivanov, Mikhail; Khotyanovsky, Dmitry; Kudryavtsev, Alexey; Shershnev, Anton; Bondar, Yevgeniy; Yonemura, Shigeru

2011-05-01

A hypersonic flow about a cylindrically blunted thick plate at a zero angle of attack is numerically studied with the kinetic (DSMC) and continuum (Navier-Stokes equations) approaches. The Navier-Stokes equations with velocity slip and temperature jump boundary conditions correctly predict the flow fields and surface parameters for values of the Knudsen number (based on the radius of leading edge curvature) smaller than 0.1. The results of computations demonstrate significant effects of the entropy layer on the boundary layer characteristics.

DSMC simulations of vapor transport toward development of the lithium vapor box divertor concept

NASA Astrophysics Data System (ADS)

Jagoe, Christopher; Schwartz, Jacob; Goldston, Robert

2016-10-01

The lithium vapor divertor box concept attempts to achieve volumetric dissipation of the high heat efflux from a fusion power system. The vapor extracts the heat of the incoming plasma by ionization and radiation, while remaining localized in the vapor box due to differential pumping based on rapid condensation. Preliminary calculations with lithium vapor at densities appropriate for an NSTX-U-scale machine give Knudsen numbers between 0.01 and 1, outside both the range of continuum fluid dynamics and of collisionless Monte Carlo. The direct-simulation Monte Carlo (DSMC) method, however, can simulate rarefied gas flows in this regime. Using the solver contained in the OpenFOAM package, pressure-driven flows of water vapor will be analyzed. The use of water vapor in the relevant range of Knudsen number allows for a flexible similarity experiment to verify the reliability of the code before moving to tests with lithium. The simulation geometry consists of chains of boxes on a temperature gradient, connected by slots with widths that are a representative fraction of the dimensions of the box. We expect choked flow, sonic shocks, and order-of-magnitude pressure and density drops from box to box, but this expectation will be tested in the simulation and then experiment. This work is supported by the Princeton Environmental Institute.

A diffusive information preservation method for small Knudsen number flows

NASA Astrophysics Data System (ADS)

Fei, Fei; Fan, Jing

2013-06-01

The direct simulation Monte Carlo (DSMC) method is a powerful particle-based method for modeling gas flows. It works well for relatively large Knudsen (Kn) numbers, typically larger than 0.01, but quickly becomes computationally intensive as Kn decreases due to its time step and cell size limitations. An alternative approach was proposed to relax or remove these limitations, based on replacing pairwise collisions with a stochastic model corresponding to the Fokker-Planck equation [J. Comput. Phys., 229, 1077 (2010); J. Fluid Mech., 680, 574 (2011)]. Similar to the DSMC method, the downside of that approach suffers from computationally statistical noise. To solve the problem, a diffusion-based information preservation (D-IP) method has been developed. The main idea is to track the motion of a simulated molecule from the diffusive standpoint, and obtain the flow velocity and temperature through sampling and averaging the IP quantities. To validate the idea and the corresponding model, several benchmark problems with Kn ˜ 10-3-10-4 have been investigated. It is shown that the IP calculations are not only accurate, but also efficient because they make possible using a time step and cell size over an order of magnitude larger than the mean collision time and mean free path, respectively.

Tapered Glass-Fiber Microspike: High-Q Flexural Wave Resonator and Optically Driven Knudsen Pump.

PubMed

Pennetta, Riccardo; Xie, Shangran; Russell, Philip St J

2016-12-30

Appropriately designed optomechanical devices are ideal for making ultra-sensitive measurements. Here we report a fused-silica microspike that supports a flexural resonance with a quality factor greater than 100 000 at room temperature in vacuum. Fashioned by tapering single-mode fiber (SMF), it is designed so that the core-guided optical mode in the SMF evolves adiabatically into the fundamental mode of the air-glass waveguide at the tip. The very narrow mechanical linewidth (20 mHz) makes it possible to measure extremely small changes in resonant frequency. In a vacuum chamber at low pressure, the weak optical absorption of the glass is sufficient to create a temperature gradient along the microspike, which causes it to act as a microscopic Knudsen pump, driving a flow of gas molecules towards the tip where the temperature is highest. The result is a circulating molecular flow within the chamber. Momentum exchange between the vibrating microspike and the flowing molecules causes an additional restoring force that can be measured as a tiny shift in the resonant frequency. The effect is strongest when the mean free path of the gas molecules is comparable with the dimensions of the vacuum chamber. The system offers a novel means of monitoring the behavior of weakly absorbing optomechanical sensors operating in vacuum.

Parallel Fokker–Planck-DSMC algorithm for rarefied gas flow simulation in complex domains at all Knudsen numbers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Küchlin, Stephan, E-mail: kuechlin@ifd.mavt.ethz.ch; Jenny, Patrick

2017-01-01

A major challenge for the conventional Direct Simulation Monte Carlo (DSMC) technique lies in the fact that its computational cost becomes prohibitive in the near continuum regime, where the Knudsen number (Kn)—characterizing the degree of rarefaction—becomes small. In contrast, the Fokker–Planck (FP) based particle Monte Carlo scheme allows for computationally efficient simulations of rarefied gas flows in the low and intermediate Kn regime. The Fokker–Planck collision operator—instead of performing binary collisions employed by the DSMC method—integrates continuous stochastic processes for the phase space evolution in time. This allows for time step and grid cell sizes larger than the respective collisionalmore » scales required by DSMC. Dynamically switching between the FP and the DSMC collision operators in each computational cell is the basis of the combined FP-DSMC method, which has been proven successful in simulating flows covering the whole Kn range. Until recently, this algorithm had only been applied to two-dimensional test cases. In this contribution, we present the first general purpose implementation of the combined FP-DSMC method. Utilizing both shared- and distributed-memory parallelization, this implementation provides the capability for simulations involving many particles and complex geometries by exploiting state of the art computer cluster technologies.« less

DSMC simulations of Mach 20 nitrogen flows about a 70 degree blunted cone and its wake

NASA Technical Reports Server (NTRS)

Moss, James N.; Dogra, Virendra K.; Wilmoth, Richard G.

1993-01-01

Numerical results obtained with the direct simulation Monte Carlo (DSMC) method are presented for Mach 20 nitrogen flow about a 70-deg blunted cone. The flow conditions simulated are those that can be obtained in existing low-density hypersonic wind tunnels. Three sets of flow conditions are simulated with freestream Knudsen numbers ranging from 0.03 to 0.001. The focus is to characterize the wake flow under rarefied conditions. This is accomplished by calculating the influence of rarefaction on wake structure along with the impact that an afterbody has on flow features. This data report presents extensive information concerning flowfield features and surface quantities.

Velocity Inversion In Cylindrical Couette Gas Flows

NASA Astrophysics Data System (ADS)

Dongari, Nishanth; Barber, Robert W.; Emerson, David R.; Zhang, Yonghao; Reese, Jason M.

2012-05-01

We investigate a power-law probability distribution function to describe the mean free path of rarefied gas molecules in non-planar geometries. A new curvature-dependent model is derived by taking into account the boundary-limiting effects on the molecular mean free path for surfaces with both convex and concave curvatures. In comparison to a planar wall, we find that the mean free path for a convex surface is higher at the wall and exhibits a sharper gradient within the Knudsen layer. In contrast, a concave wall exhibits a lower mean free path near the surface and the gradients in the Knudsen layer are shallower. The Navier-Stokes constitutive relations and velocity-slip boundary conditions are modified based on a power-law scaling to describe the mean free path, in accordance with the kinetic theory of gases, i.e. transport properties can be described in terms of the mean free path. Velocity profiles for isothermal cylindrical Couette flow are obtained using the power-law model. We demonstrate that our model is more accurate than the classical slip solution, especially in the transition regime, and we are able to capture important non-linear trends associated with the non-equilibrium physics of the Knudsen layer. In addition, we establish a new criterion for the critical accommodation coefficient that leads to the non-intuitive phenomena of velocity-inversion. Our results are compared with conventional hydrodynamic models and direct simulation Monte Carlo data. The power-law model predicts that the critical accommodation coefficient is significantly lower than that calculated using the classical slip solution and is in good agreement with available DSMC data. Our proposed constitutive scaling for non-planar surfaces is based on simple physical arguments and can be readily implemented in conventional fluid dynamics codes for arbitrary geometric configurations.

On the inverse Magnus effect for flow past a rotating cylinder

NASA Astrophysics Data System (ADS)

John, Benzi; Gu, Xiao-Jun; Barber, Robert W.; Emerson, David R.

2016-11-01

Flow past a rotating cylinder has been investigated using the direct simulation Monte Carlo method. The study focuses on the occurrence of the inverse Magnus effect under subsonic flow conditions. In particular, the variations in the coefficients of lift and drag have been investigated as a function of the Knudsen and Reynolds numbers. Additionally, a temperature sensitivity study has been carried out to assess the influence of the wall temperature on the computed aerodynamic coefficients. It has been found that both the Reynolds number and the cylinder wall temperature significantly affect the drag as well as the onset of lift inversion in the transition flow regime.

Automatic mesh refinement and parallel load balancing for Fokker-Planck-DSMC algorithm

NASA Astrophysics Data System (ADS)

Küchlin, Stephan; Jenny, Patrick

2018-06-01

Recently, a parallel Fokker-Planck-DSMC algorithm for rarefied gas flow simulation in complex domains at all Knudsen numbers was developed by the authors. Fokker-Planck-DSMC (FP-DSMC) is an augmentation of the classical DSMC algorithm, which mitigates the near-continuum deficiencies in terms of computational cost of pure DSMC. At each time step, based on a local Knudsen number criterion, the discrete DSMC collision operator is dynamically switched to the Fokker-Planck operator, which is based on the integration of continuous stochastic processes in time, and has fixed computational cost per particle, rather than per collision. In this contribution, we present an extension of the previous implementation with automatic local mesh refinement and parallel load-balancing. In particular, we show how the properties of discrete approximations to space-filling curves enable an efficient implementation. Exemplary numerical studies highlight the capabilities of the new code.

Applying Alkyl-Chain Surface Functionalizations in Mesoporous Inorganic Structures: Their Impact on Gas Flow and Selectivity Depending on Temperature.

PubMed

Besser, Benjamin; Ahmed, Atiq; Baune, Michael; Kroll, Stephen; Thöming, Jorg; Rezwan, Kurosch

2016-10-12

Porous inorganic capillary membranes are prepared to serve as model structures for the experimental investigation of the gas transport in functionalized mesopores. The porous structures possess a mean pore diameter of 23 nm which is slightly reduced to 20 nm after immobilizing C 16 -alkyl chains on the surface. Gas permeation measurements are performed at temperatures ranging from 0 to 80 °C using Ar, N 2 , and CO 2 . Nonfunctionalized structures feature a gas transport according to Knudsen diffusion with regard to gas flow and selectivity. After C 16 -functionalization, the gas flow is reduced by a factor of 10, and the ideal selectivities deviate from the Knudsen theory. CO 2 adsorption measurements show a decrease in total amount of adsorbed gas and isosteric heat of adsorption. It is hypothesized that the immobilized C 16 -chains sterically influence the gas transport behavior without a contribution from adsorption effects. The reduced gas flow derives from an additional surface resistance caused by the C 16 -chains spacially limiting the adsorption and desorption directions for gas molecules propagating through the structure, resulting in longer diffusion paths. In agreement, the gas flow is found to correlate with the molecular diameter of the gas species (CO 2 < Ar < N 2 ) increasing the resistance for larger molecules. This affects the ideal selectivities with the relation [Formula: see text]. The influence on selectivity increases with increasing temperature which leads to the conclusion that the temperature induced movement of the C 16 -chains is responsible for the stronger interaction between gas molecules and surface functional groups.

Separation of Hydrogen from Carbon Dioxide through Porous Ceramics

PubMed Central

Shimonosono, Taro; Imada, Hikari; Maeda, Hikaru; Hirata, Yoshihiro

2016-01-01

The gas permeability of α-alumina, yttria-stabilized zirconia (YSZ), and silicon carbide porous ceramics toward H2, CO2, and H2–CO2 mixtures were investigated at room temperature. The permeation of H2 and CO2 single gases occurred above a critical pressure gradient, which was smaller for H2 gas than for CO2 gas. When the Knudsen number (λ/r ratio, λ: molecular mean free path, r: pore radius) of a single gas was larger than unity, Knudsen flow became the dominant gas transportation process. The H2 fraction for the mixed gas of (20%–80%) H2–(80%–20%) CO2 through porous Al2O3, YSZ, and SiC approached unity with decreasing pressure gradient. The high fraction of H2 gas was closely related to the difference in the critical pressure gradient values of H2 and CO2 single gas, the inlet mixed gas composition, and the gas flow mechanism of the mixed gas. Moisture in the atmosphere adsorbed easily on the porous ceramics and affected the critical pressure gradient, leading to the increased selectivity of H2 gas. PMID:28774051

Slip and accommodation coefficients from rarefaction and roughness in rotating microscale disk flows

NASA Astrophysics Data System (ADS)

Blanchard, Danny; Ligrani, Phil

2007-06-01

Accommodation coefficients are determined from experimental results and analysis based on the Navier-Stokes equations for rotation-induced flows in C-shaped fluid chamber passages formed between a rotating disk and a stationary surface. A first-order boundary condition is used to model the slip flow. The fluid chamber passage height ranges from 6.85to29.2μm to give Knudsen numbers from 0.0025 to 0.031 for air and helium. In all cases, roughness size is large compared to molecular mean free path. The unique method presented for deducing tangential momentum accommodation coefficients gives values with less uncertainty compared to procedures that rely on flows in stationary tubes and channels. When channel height is defined at the tops of the roughness elements, slip velocity magnitudes and associated accommodation coefficients are a result of rarefaction at solid-gas interfaces and shear at the gas-gas interfaces. With this arrangement, tangential accommodation coefficients obtained with this approach decrease, and slip velocity magnitudes increase, at a particular value of Knudsen number, as the level of surface roughness increases. At values of the mean roughness height greater than 500nm, accommodation coefficients then appear to be lower in air flows than in helium flows, when compared for a particular roughness configuration. When channel height is defined midway between the crests and troughs of the roughness elements, nondimensional pressure rise data show little or no dependence on the level of disk surface roughness and working fluid. With this arrangement, slip is largely independent of surface roughness magnitude and mostly due to rarefaction, provided the appropriate channel height is chosen to define the roughness height.

Metallic diffusion measured by a modified Knudsen technique

NASA Technical Reports Server (NTRS)

Fray, D. J.

1969-01-01

Diffusion coefficient of a metal in high temperature system is determined. From the measurement of the weight loss from a Knudsen cell, the vapor pressure of the escaping species can be calculated. If the only way this species can enter the Knudsen cell is by diffusion through a foil, the weight loss is diffusion flux.

An evaluation of collision models in the Method of Moments for rarefied gas problems

NASA Astrophysics Data System (ADS)

Emerson, David; Gu, Xiao-Jun

2014-11-01

The Method of Moments offers an attractive approach for solving gaseous transport problems that are beyond the limit of validity of the Navier-Stokes-Fourier equations. Recent work has demonstrated the capability of the regularized 13 and 26 moment equations for solving problems when the Knudsen number, Kn (where Kn is the ratio of the mean free path of a gas to a typical length scale of interest), is in the range 0.1 and 1.0-the so-called transition regime. In comparison to numerical solutions of the Boltzmann equation, the Method of Moments has captured both qualitatively, and quantitatively, results of classical test problems in kinetic theory, e.g. velocity slip in Kramers' problem, temperature jump in Knudsen layers, the Knudsen minimum etc. However, most of these results have been obtained for Maxwell molecules, where molecules repel each other according to an inverse fifth-power rule. Recent work has incorporated more traditional collision models such as BGK, S-model, and ES-BGK, the latter being important for thermal problems where the Prandtl number can vary. We are currently investigating the impact of these collision models on fundamental low-speed problems of particular interest to micro-scale flows that will be discussed and evaluated in the presentation. Engineering and Physical Sciences Research Council under Grant EP/I011927/1 and CCP12.

Development of an aerodynamic measurement system for hypersonic rarefied flows

NASA Astrophysics Data System (ADS)

Ozawa, T.; Fujita, K.; Suzuki, T.

2015-01-01

A hypersonic rarefied wind tunnel (HRWT) has lately been developed at Japan Aerospace Exploration Agency in order to improve the prediction of rarefied aerodynamics. Flow characteristics of hypersonic rarefied flows have been investigated experimentally and numerically. By conducting dynamic pressure measurements with pendulous models and pitot pressure measurements, we have probed flow characteristics in the test section. We have also improved understandings of hypersonic rarefied flows by integrating a numerical approach with the HRWT measurement. The development of the integration scheme between HRWT and numerical approach enables us to estimate the hypersonic rarefied flow characteristics as well as the direct measurement of rarefied aerodynamics. Consequently, this wind tunnel is capable of generating 25 mm-core flows with the free stream Mach number greater than 10 and Knudsen number greater than 0.1.

Simulation of Couette flow using conventional Burnett equations with modified slip boundary conditions

NASA Astrophysics Data System (ADS)

Liu, Hualin; Zhao, Wenwen; Chen, Weifang

2016-11-01

Gas or liquid flow through small channels has become more and more popular due to the micro-electro-mechanical systems (MEMS) fabrication technologies such as micro-motors, electrostatic comb-drive, micro-chromatographs, micro-actuators, micro-turbines and micro-pumps, etc. The flow conditions in and around these systems are always recognized as typical transitional regimes. Under these conditions, the mean free path of gas molecules approaches the characteristic scale of the micro-devices itself, and due to the little collisions the heat and momentum cannot equilibrate between the wall and fluids quickly. Couette flow is a simple and critical model in fluid dynamics which focuses on the mechanism of the heat transfer in shear-driven micro-cavities or micro-channels. Despite numerous work on the numerical solutions of the Couette flow, how to propose stable and accurate slip boundary conditions in rarefied flow conditions still remains to be elucidated. In this paper, converged solutions for steady-state micro Couette flows are obtained by using conventional Burnett equations with a set of modified slip boundary conditions. Instead of using the physical variables at the wall, the modified slip conditions use the variables at the edge of the Knudsen layer based on a physically plausible assumption in literature that Knudsen layer has a thickness only in the order of a mean free path and molecules are likely to travel without collision in this layer. Numerical results for non-dimensional wall shear stress and heat flux are compared with those of the DSMC solutions. Although there are not much improvement in the accuracy by using this modified slip conditions, the modified conditions perform much better than the unmodified slip conditions for numerical stabilization. All results show that the set of conventional Burnett equations with second order modified conditions are proved to be an appropriate model for the micro-Couette flows.

Extension of a Kinetic Approach to Chemical Reactions to Electronic Energy Levels and Reactions Involving Charged Species with Application to DSMC Simulations

NASA Technical Reports Server (NTRS)

Liechty, Derek S.

2014-01-01

The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties are extended in the current work to include electronic energy level transitions and reactions involving charged particles. These extensions are shown to agree favorably with reported transition and reaction rates from the literature for near-equilibrium conditions. Also, the extensions are applied to the second flight of the Project FIRE flight experiment at 1634 seconds with a Knudsen number of 0.001 at an altitude of 76.4 km. In order to accomplish this, NASA's direct simulation Monte Carlo code DAC was rewritten to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced chemistry model, and to include the extensions presented in this work. The 1634 second data point was chosen for comparisons to be made in order to include a CFD solution. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid because, although near-transitional, the flow is still considered to be continuum. It is shown that the inclusion of electronic energy levels in the DSMC simulation is necessary for flows of this nature and is required for comparison to the CFD solution. The flow field solutions are also post-processed by the nonequilibrium radiation code HARA to compute the radiative portion.

Microscale Thermal-Transpiration Gas Pump

NASA Technical Reports Server (NTRS)

Vargo, Stephen; Muntz, Phillip; Shiflett, Geoff

2003-01-01

A recent addition to the growing class of microelectromechanical systems (MEMS) is a single stage of a Knudsen compressor. This device was fabricated and tested to demonstrate the feasibility of Knudsen compressors as miniature vacuum pumps for future portable scientific instruments. The attributes of Knudsen compressors that make them attractive as miniature vacuum pumps are that they contain no moving parts and operate without need for lubricants or working fluids.

Breakdown parameter for kinetic modeling of multiscale gas flows.

PubMed

Meng, Jianping; Dongari, Nishanth; Reese, Jason M; Zhang, Yonghao

2014-06-01

Multiscale methods built purely on the kinetic theory of gases provide information about the molecular velocity distribution function. It is therefore both important and feasible to establish new breakdown parameters for assessing the appropriateness of a fluid description at the continuum level by utilizing kinetic information rather than macroscopic flow quantities alone. We propose a new kinetic criterion to indirectly assess the errors introduced by a continuum-level description of the gas flow. The analysis, which includes numerical demonstrations, focuses on the validity of the Navier-Stokes-Fourier equations and corresponding kinetic models and reveals that the new criterion can consistently indicate the validity of continuum-level modeling in both low-speed and high-speed flows at different Knudsen numbers.

Demonstration of motionless Knudsen pump based micro-gas chromatography featuring micro-fabricated columns and on-column detectors.

PubMed

Liu, Jing; Gupta, Naveen K; Wise, Kensall D; Gianchandani, Yogesh B; Fan, Xudong

2011-10-21

This paper reports the investigation of a micro-gas chromatography (μGC) system that utilizes an array of miniaturized motionless Knudsen pumps (KPs) as well as microfabricated separation columns and optical detectors. A prototype system was built to achieve a flow rate of 1 mL min(-1) and 0.26 mL min(-1) for helium and dry air, respectively, when they were used as carrier gas. This system was then employed to evaluate GC performance compromises and demonstrate the ability to separate and detect gas mixtures containing analytes of different volatilities and polarities. Furthermore, the use of pressure programming of the KP array was demonstrated to significantly shorten the analysis time while maintaining a high detection resolution. Using this method, we obtained a high resolution detection of 5 alkanes of different volatilities within 5 min. Finally, we successfully detected gas mixtures of various polarities using a tandem-column μGC configuration by installing two on-column optical detectors to obtain complementary chromatograms.

Maintaining the NA atmosphere of Mercury

NASA Astrophysics Data System (ADS)

Killen, R. M.; Morgan, T. H.

1993-02-01

The possible sources of the Na atmosphere of Mercury are calculatively studied. The likely structure, composition, and temperature of the planet's upper crust is examined along with the probable flux of Na from depth by grain boundary diffusion and by Knudsen flow. The creation of fresh regolith is considered along with mechanisms for supplying Na from the surface to the exosphere. The implications of the calculations for the probable abundances in the regolith are discussed.

A Model Study of the Salish Sea Estuarine Circulation

DTIC Science & Technology

2011-06-01

discharge, winds , and the strength of the tides. The steady Knudsen relation is a good approximation for the salt balance in Puget Sound. The salt flux...L is too long because of not enough tidal energy flux into Puget Sound. This would increase L but not affect the stratification and exchange flow...2006). Despite this discrepancy at Admiralty Inlet, the tidal energy fluxes calculated at the remaining Lavelle et al. (1988) sections inside Puget

The influence of different diffusion pattern to the sub- and super-critical fluid flow in brown coal

NASA Astrophysics Data System (ADS)

Peng, Peihuo

2018-03-01

Sub- and super-critical CO2 flowing in nanoscale pores are recently becoming of great interest due to that it is closely related to many engineering applications, such as geological burial and sequestration of carbon dioxide, Enhanced Coal Bed Methane recovery ( ECBM), super-critical CO2 fracturing and so on. Gas flow in nanopores cannot be described simply by the Darcy equation. Different diffusion pattern such as Fick diffusion, Knudsen diffusion, transitional diffusion and slip flow at the solid matrix separate the seepage behaviour from Darcy-type flow. According to the principle of different diffusion pattern, the flow of sub- and super-critical CO2 in brown coal was simulated by numerical method, and the results were compared with the experimental results to explore the contribution of different diffusion pattern and swelling effect in sub- and super-critical CO2 flow in nanoscale pores.

Applications of the discrete Enskog-Boltzmann approach

NASA Astrophysics Data System (ADS)

Chu, Kwang-Hua Rainer

1998-08-01

The continuous progress of micromachining technology has led to a growing interest in MicroElectroMechanical System (MEMS) for applications ranging from simple microsensors and microactuators to sophisticated microsystems. The characteristic length scale of these microdevices will be of the order of sub-microns so that the gas flow in this environment is within the rarified gas (RG) regime. In this PhD work, the mass/momentum/energy transport of the monatomic gases along the microchannel and the dispersion/attenuation of 1-D ultrasound propagation (plane wave) of RG are investigated by using the Discrete Enskog-Boltzmann approaches. We applied the 4-velocity coplanar model to plane Poiseuille flow of RG in microchannels. Firstly we reported a steady-state solution for this flow with a final-stage uniform density distribution. Then, we modified the model by introducing a density ratio to accomodate the density variations along the microchannel and to include the grazing-collision effects. We also borrowed thee idea from the Extended Irreversible/Reversible Thermodynamics to derive the pressure-gradient for the dimensional velocity field. Our results show the Knudsen minimum of the non- dimensional volume flow rate for Knudsen number (Kn) around 1.5. Using the macroscopic velocity fields, with Cercignani's comments for the 'Kinetic Temperature', we can calculate the related temperature distribution across the microchannel. We also checked the thermodynamic or equilibrium properties of 4-, 6-, and 8-velocity models, by calculating the dispersion relation of 1-D plane ultrasound wave propagation in the RG regime which has large Kn of O(1). The results (after comparison with the measurements) confirmed that the 4-velocity model is the most suitable model for our applications.

Rarefied gas flow simulations using high-order gas-kinetic unified algorithms for Boltzmann model equations

NASA Astrophysics Data System (ADS)

Li, Zhi-Hui; Peng, Ao-Ping; Zhang, Han-Xin; Yang, Jaw-Yen

2015-04-01

This article reviews rarefied gas flow computations based on nonlinear model Boltzmann equations using deterministic high-order gas-kinetic unified algorithms (GKUA) in phase space. The nonlinear Boltzmann model equations considered include the BGK model, the Shakhov model, the Ellipsoidal Statistical model and the Morse model. Several high-order gas-kinetic unified algorithms, which combine the discrete velocity ordinate method in velocity space and the compact high-order finite-difference schemes in physical space, are developed. The parallel strategies implemented with the accompanying algorithms are of equal importance. Accurate computations of rarefied gas flow problems using various kinetic models over wide ranges of Mach numbers 1.2-20 and Knudsen numbers 0.0001-5 are reported. The effects of different high resolution schemes on the flow resolution under the same discrete velocity ordinate method are studied. A conservative discrete velocity ordinate method to ensure the kinetic compatibility condition is also implemented. The present algorithms are tested for the one-dimensional unsteady shock-tube problems with various Knudsen numbers, the steady normal shock wave structures for different Mach numbers, the two-dimensional flows past a circular cylinder and a NACA 0012 airfoil to verify the present methodology and to simulate gas transport phenomena covering various flow regimes. Illustrations of large scale parallel computations of three-dimensional hypersonic rarefied flows over the reusable sphere-cone satellite and the re-entry spacecraft using almost the largest computer systems available in China are also reported. The present computed results are compared with the theoretical prediction from gas dynamics, related DSMC results, slip N-S solutions and experimental data, and good agreement can be found. The numerical experience indicates that although the direct model Boltzmann equation solver in phase space can be computationally expensive, nevertheless, the present GKUAs for kinetic model Boltzmann equations in conjunction with current available high-performance parallel computer power can provide a vital engineering tool for analyzing rarefied gas flows covering the whole range of flow regimes in aerospace engineering applications.

Meet EPA Biologist Thomas Knudsen, Ph.D.

EPA Pesticide Factsheets

Dr. Tom Knudsen is a developmental systems biologist at EPA's Center for Computational Toxicology. His research focuses on the potential for chemicals to disrupt prenatal development—one of the most important life stages.

Extension of a Kinetic Approach to Chemical Reactions to Electronic Energy Levels and Reactions Involving Charged Species With Application to DSMC Simulations

NASA Technical Reports Server (NTRS)

Liechty, Derek S.

2013-01-01

The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties are extended in the current work to include electronic energy level transitions and reactions involving charged particles. These extensions are shown to agree favorably with reported transition and reaction rates from the literature for nearequilibrium conditions. Also, the extensions are applied to the second flight of the Project FIRE flight experiment at 1634 seconds with a Knudsen number of 0.001 at an altitude of 76.4 km. In order to accomplish this, NASA's direct simulation Monte Carlo code DAC was rewritten to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced chemistry model, and to include the extensions presented in this work. The 1634 second data point was chosen for comparisons to be made in order to include a CFD solution. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid because, although near-transitional, the flow is still considered to be continuum. It is shown that the inclusion of electronic energy levels in the DSMC simulation is necessary for flows of this nature and is required for comparison to the CFD solution. The flow field solutions are also post-processed by the nonequilibrium radiation code HARA to compute the radiative portion of the heating and is then compared to the total heating measured in flight.

Characterization of Nanoscale Gas Transport in Shale Formations

NASA Astrophysics Data System (ADS)

Chai, D.; Li, X.

2017-12-01

Non-Darcy flow behavior can be commonly observed in nano-sized pores of matrix. Most existing gas flow models characterize non-Darcy flow by empirical or semi-empirical methods without considering the real gas effect. In this paper, a novel layered model with physical meanings is proposed for both ideal and real gas transports in nanopores. It can be further coupled with hydraulic fracturing models and consequently benefit the storage evaluation and production prediction for shale gas recovery. It is hypothesized that a nanotube can be divided into a central circular zone where the viscous flow behavior mainly exists due to dominant intermolecular collisions and an outer annular zone where the Knudsen diffusion mainly exists because of dominant collisions between molecules and the wall. The flux is derived based on integration of two zones by applying the virtual boundary. Subsequently, the model is modified by incorporating slip effect, real gas effect, porosity distribution, and tortuosity. Meanwhile, a multi-objective optimization method (MOP) is applied to assist the validation of analytical model to search fitting parameters which are highly localized and contain significant uncertainties. The apparent permeability is finally derived and analyzed with various impact factors. The developed nanoscale gas transport model is well validated by the flux data collected from both laboratory experiments and molecular simulations over the entire spectrum of flow regimes. It has a decrease of as much as 43.8% in total molar flux when the real gas effect is considered in the model. Such an effect is found to be more significant as pore size shrinks. Knudsen diffusion accounts for more than 60% of the total gas flux when pressure is lower than 0.2 MPa and pore size is smaller than 50 nm. Overall, the apparent permeability is found to decrease with pressure, though it rarely changes when pressure is higher than 5.0 MPa and pore size is larger than 50 nm.

All-Particle Multiscale Computation of Hypersonic Rarefied Flow

NASA Astrophysics Data System (ADS)

Jun, E.; Burt, J. M.; Boyd, I. D.

2011-05-01

This study examines a new hybrid particle scheme used as an alternative means of multiscale flow simulation. The hybrid particle scheme employs the direct simulation Monte Carlo (DSMC) method in rarefied flow regions and the low diffusion (LD) particle method in continuum flow regions. The numerical procedures of the low diffusion particle method are implemented within an existing DSMC algorithm. The performance of the LD-DSMC approach is assessed by studying Mach 10 nitrogen flow over a sphere with a global Knudsen number of 0.002. The hybrid scheme results show good overall agreement with results from standard DSMC and CFD computation. Subcell procedures are utilized to improve computational efficiency and reduce sensitivity to DSMC cell size in the hybrid scheme. This makes it possible to perform the LD-DSMC simulation on a much coarser mesh that leads to a significant reduction in computation time.

Hydrodynamics beyond Navier-Stokes: the slip flow model.

PubMed

Yudistiawan, Wahyu P; Ansumali, Santosh; Karlin, Iliya V

2008-07-01

Recently, analytical solutions for the nonlinear Couette flow demonstrated the relevance of the lattice Boltzmann (LB) models to hydrodynamics beyond the continuum limit [S. Ansumali, Phys. Rev. Lett. 98, 124502 (2007)]. In this paper, we present a systematic study of the simplest LB kinetic equation-the nine-bit model in two dimensions--in order to quantify it as a slip flow approximation. Details of the aforementioned analytical solution are presented, and results are extended to include a general shear- and force-driven unidirectional flow in confined geometry. Exact solutions for the velocity, as well as for pertinent higher-order moments of the distribution functions, are obtained in both Couette and Poiseuille steady-state flows for all values of rarefaction parameter (Knudsen number). Results are compared with the slip flow solution by Cercignani, and a good quantitative agreement is found for both flow situations. Thus, the standard nine-bit LB model is characterized as a valid and self-consistent slip flow model for simulations beyond the Navier-Stokes approximation.

Financial Knudsen number: Breakdown of continuous price dynamics and asymmetric buy-and-sell structures confirmed by high-precision order-book information.

PubMed

Yura, Yoshihiro; Takayasu, Hideki; Sornette, Didier; Takayasu, Misako

2015-10-01

We generalize the description of the dynamics of the order book of financial markets in terms of a Brownian particle embedded in a fluid of incoming, exiting, and annihilating particles by presenting a model of the velocity on each side (buy and sell) independently. The improved model builds on the time-averaged number of particles in the inner layer and its change per unit time, where the inner layer is revealed by the correlations between price velocity and change in the number of particles (limit orders). This allows us to introduce the Knudsen number of the financial Brownian particle motion and its asymmetric version (on the buy and sell sides). Not being considered previously, the asymmetric Knudsen numbers are crucial in finance in order to detect asymmetric price changes. The Knudsen numbers allows us to characterize the conditions for the market dynamics to be correctly described by a continuous stochastic process. Not questioned until now for large liquid markets such as the USD-JPY and EUR-USD exchange rates, we show that there are regimes when the Knudsen numbers are so high that discrete particle effects dominate, such as during market stresses and crashes. We document the presence of imbalances of particles depletion rates on the buy and sell sides that are associated with high Knudsen numbers and violent directional price changes. This indicator can detect the direction of the price motion at the early stage while the usual volatility risk measure is blind to the price direction.

Financial Knudsen number: Breakdown of continuous price dynamics and asymmetric buy-and-sell structures confirmed by high-precision order-book information

NASA Astrophysics Data System (ADS)

Yura, Yoshihiro; Takayasu, Hideki; Sornette, Didier; Takayasu, Misako

2015-10-01

We generalize the description of the dynamics of the order book of financial markets in terms of a Brownian particle embedded in a fluid of incoming, exiting, and annihilating particles by presenting a model of the velocity on each side (buy and sell) independently. The improved model builds on the time-averaged number of particles in the inner layer and its change per unit time, where the inner layer is revealed by the correlations between price velocity and change in the number of particles (limit orders). This allows us to introduce the Knudsen number of the financial Brownian particle motion and its asymmetric version (on the buy and sell sides). Not being considered previously, the asymmetric Knudsen numbers are crucial in finance in order to detect asymmetric price changes. The Knudsen numbers allows us to characterize the conditions for the market dynamics to be correctly described by a continuous stochastic process. Not questioned until now for large liquid markets such as the USD-JPY and EUR-USD exchange rates, we show that there are regimes when the Knudsen numbers are so high that discrete particle effects dominate, such as during market stresses and crashes. We document the presence of imbalances of particles depletion rates on the buy and sell sides that are associated with high Knudsen numbers and violent directional price changes. This indicator can detect the direction of the price motion at the early stage while the usual volatility risk measure is blind to the price direction.

A study of dynamical behavior of space environment

NASA Technical Reports Server (NTRS)

Wu, S. T.

1974-01-01

Studies have covered a wide range of problems in the space environment, such as the problems of the dynamical behavior of the thermosphere, hydromagnetic wave propagation in the ionosphere, and interplanetary space environment. The theories used to analyze these problems range from a continuum theory of magnetohydrodynamics to the kinetic theory of free molecular flow. This is because the problems encountered covered the entire range of the Knudsen number (i.e., the ratio of mean free path to the characteristic length). Significant results are summarized.

Hydrodynamics beyond Navier-Stokes: exact solution to the lattice Boltzmann hierarchy.

PubMed

Ansumali, S; Karlin, I V; Arcidiacono, S; Abbas, A; Prasianakis, N I

2007-03-23

The exact solution to the hierarchy of nonlinear lattice Boltzmann (LB) kinetic equations in the stationary planar Couette flow is found at nonvanishing Knudsen numbers. A new method of solving LB kinetic equations which combines the method of moments with boundary conditions for populations enables us to derive closed-form solutions for all higher-order moments. A convergence of results suggests that the LB hierarchy with larger velocity sets is the novel way to approximate kinetic theory.

Plane Poiseuille flow of a rarefied gas in the presence of strong gravitation.

PubMed

Doi, Toshiyuki

2011-02-01

Plane Poiseuille flow of a rarefied gas, which flows horizontally in the presence of strong gravitation, is studied based on the Boltzmann equation. Applying the asymptotic analysis for a small variation in the flow direction [Y. Sone, Molecular Gas Dynamics (Birkhäuser, 2007)], the two-dimensional problem is reduced to a one-dimensional problem, as in the case of a Poiseuille flow in the absence of gravitation, and the solution is obtained in a semianalytical form. The reduced one-dimensional problem is solved numerically for a hard sphere molecular gas over a wide range of the gas-rarefaction degree and the gravitational strength. The presence of gravitation reduces the mass flow rate, and the effect of gravitation is significant for large Knudsen numbers. To verify the validity of the asymptotic solution, a two-dimensional problem of a flow through a long channel is directly solved numerically, and the validity of the asymptotic solution is confirmed. ©2011 American Physical Society

Heterogeneous chemical reaction of chlorine nitrate and water on sulfuric-acid surfaces at room temperature

NASA Technical Reports Server (NTRS)

Rossi, Michel J.; Malhotra, Ripudaman; Golden, David M.

1987-01-01

The use of H2SO4 as a catalyst for aerosol production of chlorine compounds in the chemistry of the antarctic stratosphere was investigated in laboratory trials. The experiments involved the gas surface collision rate of a molecule on a given surface during its residence time in a Knudsen cell in molecular flow conditions. Chlorine nitrate gas was made to flow through a chamber exposed to a container holding a 95.6 pct H2SO4 solution. Gas leaving the cell was scanned with a mass spectrometer. A sticking coefficient of 0.00032 was found for the chlorine nitrate, a value five times that previously reported.

Kinetic theory analysis of rarefied gas flow through finite length slots

NASA Technical Reports Server (NTRS)

Raghuraman, P.

1972-01-01

An analytic study is made of the flow a rarefied monatomic gas through a two dimensional slot. The parameters of the problem are the ratios of downstream to upstream pressures, the Knudsen number at the high pressure end (based on slot half width) and the length to slot half width ratio. A moment method of solution is used by assuming a discontinuous distribution function consisting of four Maxwellians split equally in angular space. Numerical solutions are obtained for the resulting equations. The characteristics of the transition regime are portrayed. The solutions in the free molecule limit are systematically lower than the results obtained in that limit by more accurate numerical methods.

Dynamical freeze-out criterion in a hydrodynamical description of Au + Au collisions at √{sNN}=200 GeV and Pb + Pb collisions at √{sNN}=2760 GeV

NASA Astrophysics Data System (ADS)

Ahmad, Saeed; Holopainen, Hannu; Huovinen, Pasi

2017-05-01

In hydrodynamical modeling of ultrarelativistic heavy-ion collisions, the freeze-out is typically assumed to take place at a surface of constant temperature or energy density. A more physical approach is to assume that freeze-out takes place at a surface of constant Knudsen number. We evaluate the Knudsen number as a ratio of the expansion rate of the system to the pion-scattering rate and apply the constant Knudsen number freeze-out criterion to the ideal hydrodynamical description of heavy-ion collisions at the Relativistic Heavy Ion Collider at BNL (√{sNN}=200 GeV) and the Large Hadron Collider (√{sNN}=2760 GeV) energies. We see that once the numerical values of freeze-out temperature and freeze-out Knudsen number are chosen to produce similar pT distributions, the elliptic and triangular anisotropies are similar too, in both event-by-event and averaged initial state calculations.

Thermal lift generation and drag reduction in rarefied aerodynamics

NASA Astrophysics Data System (ADS)

Pekardan, Cem; Alexeenko, Alina

2016-11-01

With the advent of the new technologies in low pressure environments such as Hyperloop and helicopters designed for Martian applications, understanding the aerodynamic behavior of airfoils in rarefied environments are becoming more crucial. In this paper, verification of rarefied ES-BGK solver and ideas such as prediction of the thermally induced lift and drag reduction in rarefied aerodynamics are investigated. Validation of the rarefied ES-BGK solver with Runge-Kutta discontinous Galerkin method with experiments in transonic regime with a Reynolds number of 73 showed that ES-BGK solver is the most suitable solver in near slip transonic regime. For the quantification of lift generation, A NACA 0012 airfoil is studied with a high temperature surface on the bottom for the lift creation for different Knudsen numbers. It was seen that for lower velocities, continuum solver under predicts the lift generation when the Knudsen number is 0.00129 due to local velocity gradients reaching slip regime although lift coefficient is higher with the Boltzmann ES-BGK solutions. In the second part, the feasibility of using thermal transpiration for drag reduction is studied. Initial study in drag reduction includes an application of a thermal gradient at the upper surface of a NACA 0012 airfoil near trailing edge at a 12-degree angle of attack and 5 Pa pressure. It was seen that drag is reduced by 4 percent and vortex shedding frequency is reduced due to asymmetry introduced in the flow due to temperature gradient causing reverse flow due to thermal transpiration phenomena.

Viscous dissipation effects on MHD slip flow and heat transfer in porous micro duct with LTNE assumptions using modified lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Rabhi, R.; Amami, B.; Dhahri, H.; Mhimid, A.

2017-11-01

This paper deals with heat transfer and fluid flow in a porous micro duct under local thermal non equilibrium conditions subjected to an external oriented magnetic field. The considered sample is a micro duct filled with porous media assumed to be homogenous, isotropic and saturated. The slip velocity and the temperature jump were uniformly imposed to the wall. In modeling the flow, the Brinkmann-Forchheimer extended Darcy model was incorporated into the momentum equations. In the energy equation, the local thermal non equilibrium between the two phases was adopted. A modified axisymmetric lattice Boltzmann method was used to solve the obtained governing equation system. Attention was focused on the influence of the emerging parameters such as Knudsen number, Kn, Hartmann number, Ha, Eckert number, Ec, Biot number, Bi and the magnetic field inclination γ on flow and heat transfer throughout this paper.

Rarefied gas flow through two-dimensional nozzles

NASA Technical Reports Server (NTRS)

De Witt, Kenneth J.; Jeng, Duen-Ren; Keith, Theo G., Jr.; Chung, Chan-Hong

1989-01-01

A kinetic theory analysis is made of the flow of a rarefied gas from one reservoir to another through two-dimensional nozzles with arbitrary curvature. The Boltzmann equation simplified by a model collision integral is solved by means of finite-difference approximations with the discrete ordinate method. The physical space is transformed by a general grid generation technique and the velocity space is transformed to a polar coordinate system. A numerical code is developed which can be applied to any two-dimensional passage of complicated geometry for the flow regimes from free-molecular to slip. Numerical values of flow quantities can be calculated for the entire physical space including both inside the nozzle and in the outside plume. Predictions are made for the case of parallel slots and compared with existing literature data. Also, results for the cases of convergent or divergent slots and two-dimensional nozzles with arbitrary curvature at arbitrary knudsen number are presented.

Effect of Knudsen thermal force on the performance of low-pressure micro gas sensor

NASA Astrophysics Data System (ADS)

Barzegar Gerdroodbary, M.; Ganji, D. D.; Taeibi-Rahni, M.; Vakilipour, Shidvash

2017-07-01

In this paper, Direct Simulation Monte Carlo (DSMC) simulations were applied to investigate the mechanism of the force generation inside a low-pressure gas sensor. The flow feature and force generation mechanism inside a rectangular enclosure with heat and cold arms as the non-isothermal walls are comprehensively explained. In addition, extensive parametric studies are done to study the effects of physical parameters on the performance and characteristics of this device in different operating conditions. In this research, the Knudsen number is varied from 0.1 to 4.5 (0.5 to 11torr) to reveal all the characteristics of the thermally driven force inside the MEMS sensor. In order to simulate a rarefied gas inside the micro gas detector, Boltzmann equations are applied to obtain high-precision results. The effects of ambient pressure and temperature difference of arms are comprehensively investigated. Our findings show that maximum force increases more than 7 times when the temperature difference of the cold and hot arms is increased from 10 to 100K. In addition, the results demonstrate that the thermal gradient at rarefied pressure induces complex structure, and the mechanism of force generation highly varies at different pressure conditions.

Predicting absorption and dispersion in acoustics by direct simulation Monte Carlo: Quantum and classical models for molecular relaxation.

PubMed

Hanford, Amanda D; O'Connor, Patrick D; Anderson, James B; Long, Lyle N

2008-06-01

In the current study, real gas effects in the propagation of sound waves are simulated using the direct simulation Monte Carlo method for a wide range of frequencies. This particle method allows for treatment of acoustic phenomena at high Knudsen numbers, corresponding to low densities and a high ratio of the molecular mean free path to wavelength. Different methods to model the internal degrees of freedom of diatomic molecules and the exchange of translational, rotational and vibrational energies in collisions are employed in the current simulations of a diatomic gas. One of these methods is the fully classical rigid-rotor/harmonic-oscillator model for rotation and vibration. A second method takes into account the discrete quantum energy levels for vibration with the closely spaced rotational levels classically treated. This method gives a more realistic representation of the internal structure of diatomic and polyatomic molecules. Applications of these methods are investigated in diatomic nitrogen gas in order to study the propagation of sound and its attenuation and dispersion along with their dependence on temperature. With the direct simulation method, significant deviations from continuum predictions are also observed for high Knudsen number flows.

Analysis of the moisture diffusion transfer through fibrous porous membrane used for waterproof breathable fabrics

NASA Astrophysics Data System (ADS)

Zhu, Fanglong; Zhou, Yu; Liu, Suyan

2013-10-01

In this paper, we propose a new fractal model to determine the moisture effective diffusivity of porous membrane such as expanded polytetrafluorethylene membrane, by taking account of both parallel and perpendicular channels to diffusion flow direction. With the consideration of both the Knudsen and bulk diffusion effect, a relationship between micro-structural parameters and effective moisture diffusivity is deduced. The effective moisture diffusivities predicted by the present fractal model are compared with moisture diffusion experiment data and calculated values obtained from other theoretical models.

Investigation on a coupled CFD/DSMC method for continuum-rarefied flows

NASA Astrophysics Data System (ADS)

Tang, Zhenyu; He, Bijiao; Cai, Guobiao

2012-11-01

The purpose of the present work is to investigate the coupled CFD/DSMC method using the existing CFD and DSMC codes developed by the authors. The interface between the continuum and particle regions is determined by the gradient-length local Knudsen number. A coupling scheme combining both state-based and flux-based coupling methods is proposed in the current study. Overlapping grids are established between the different grid systems of CFD and DSMC codes. A hypersonic flow over a 2D cylinder has been simulated using the present coupled method. Comparison has been made between the results obtained from both methods, which shows that the coupled CFD/DSMC method can achieve the same precision as the pure DSMC method and obtain higher computational efficiency.

Kinetic Plasma and Turbulent Mix Studies using DT Plastic-shell Implosions with Shell-thickness and Pressure Variations

NASA Astrophysics Data System (ADS)

Kim, Y.; Herrmann, H. W.; Hoffman, N. M.; Schmitt, M. J.; Bradley, P. A.; Kagan, G.; Gales, S.; Horsfield, C. J.; Rubery, M.; Leatherland, A.; Gatu Johnson, M.; Glebov, V.; Seka, W.; Marshall, F.; Stoeckl, C.; Church, J.

2014-10-01

Kinetic plasma and turbulent mix effects on inertial confinement fusion have been studied using a series of DT-filled plastic-shell implosions at the OMEGA laser facility. Plastic capsules of 4 different shell thicknesses (7.4, 15, 20, 29 micron) were shot at 2 different fill pressures in order to vary the ion mean free path compared to the size of fuel region (i.e., Knudsen number). We varied the empirical Knudsen number by a factor of 25. Measurements were obtained from the burn-averaged ion temperature and fuel areal density. Preliminary results indicate that as the empirical Knudsen number increases, fusion performances (e.g., neutron yield) increasingly deviate from hydrodynamic simulations unless turbulent mix and ion kinetic terms (e.g., enhanced ion diffusion, viscosity, thermal conduction, as well as Knudsen-layer fusion reactivity reduction) are considered. We are developing two separate simulations: one is a reduced-ion-kinetics model and the other is turbulent mix model. Two simulation results will be compared with the experimental observables.

A Fokker-Planck based kinetic model for diatomic rarefied gas flows

NASA Astrophysics Data System (ADS)

Gorji, M. Hossein; Jenny, Patrick

2013-06-01

A Fokker-Planck based kinetic model is presented here, which also accounts for internal energy modes characteristic for diatomic gas molecules. The model is based on a Fokker-Planck approximation of the Boltzmann equation for monatomic molecules, whereas phenomenological principles were employed for the derivation. It is shown that the model honors the equipartition theorem in equilibrium and fulfills the Landau-Teller relaxation equations for internal degrees of freedom. The objective behind this approximate kinetic model is accuracy at reasonably low computational cost. This can be achieved due to the fact that the resulting stochastic differential equations are continuous in time; therefore, no collisions between the simulated particles have to be calculated. Besides, because of the devised energy conserving time integration scheme, it is not required to resolve the collisional scales, i.e., the mean collision time and the mean free path of molecules. This, of course, gives rise to much more efficient simulations with respect to other particle methods, especially the conventional direct simulation Monte Carlo (DSMC), for small and moderate Knudsen numbers. To examine the new approach, first the computational cost of the model was compared with respect to DSMC, where significant speed up could be obtained for small Knudsen numbers. Second, the structure of a high Mach shock (in nitrogen) was studied, and the good performance of the model for such out of equilibrium conditions could be demonstrated. At last, a hypersonic flow of nitrogen over a wedge was studied, where good agreement with respect to DSMC (with level to level transition model) for vibrational and translational temperatures is shown.

Direct-drive DT implosions with Knudsen number variations

DOE PAGES

Kim, Yong Ho; Herrmann, Hans W.; Hoffman, Nelson M.; ...

2016-05-26

Direct-drive implosions of DT-filled plastic-shells have been conducted at the Omega laser facility, measuring nuclear yields while varying Knudsen numbers (i.e., the ratio of mean free path of fusing ions to the length of fuel region) by adjusting both shell thickness (e.g., 7.5, 15, 20, 30 μm) and fill pressure (e.g., 2, 5, 15 atm). In addition, the fusion reactivity reduction model showed a stronger effect on yield as the Knudsen number increases (or the shell thickness decreases). The Reduced-Ion-Kinetic (RIK) simulation which includes both fusion reactivity reduction and mix model was necessary to provide a better match between themore » observed neutron yields and those simulated.« less

Fusion yield rate recovery by escaping hot-spot fast ions in the neighboring fuel layer

NASA Astrophysics Data System (ADS)

Tang, Xian-Zhu; McDevitt, C. J.; Guo, Zehua; Berk, H. L.

2014-02-01

Free-streaming loss by fast ions can deplete the tail population in the hot spot of an inertial confinement fusion (ICF) target. Escaping fast ions in the neighboring fuel layer of a cryogenic target can produce a surplus of fast ions locally. In contrast to the Knudsen layer effect that reduces hot-spot fusion reactivity due to tail ion depletion, the inverse Knudsen layer effect increases fusion reactivity in the neighboring fuel layer. In the case of a burning ICF target in the presence of significant hydrodynamic mix which aggravates the Knudsen layer effect, the yield recovery largely compensates for the yield reduction. For mix-dominated sub-ignition targets, the yield reduction is the dominant process.

Consistent lattice Boltzmann modeling of low-speed isothermal flows at finite Knudsen numbers in slip-flow regime: Application to plane boundaries

NASA Astrophysics Data System (ADS)

Silva, Goncalo; Semiao, Viriato

2017-07-01

The first nonequilibrium effect experienced by gaseous flows in contact with solid surfaces is the slip-flow regime. While the classical hydrodynamic description holds valid in bulk, at boundaries the fluid-wall interactions must consider slip. In comparison to the standard no-slip Dirichlet condition, the case of slip formulates as a Robin-type condition for the fluid tangential velocity. This makes its numerical modeling a challenging task, particularly in complex geometries. In this work, this issue is handled with the lattice Boltzmann method (LBM), motivated by the similarities between the closure relations of the reflection-type boundary schemes equipping the LBM equation and the slip velocity condition established by slip-flow theory. Based on this analogy, we derive, as central result, the structure of the LBM boundary closure relation that is consistent with the second-order slip velocity condition, applicable to planar walls. Subsequently, three tasks are performed. First, we clarify the limitations of existing slip velocity LBM schemes, based on discrete analogs of kinetic theory fluid-wall interaction models. Second, we present improved slip velocity LBM boundary schemes, constructed directly at discrete level, by extending the multireflection framework to the slip-flow regime. Here, two classes of slip velocity LBM boundary schemes are considered: (i) linear slip schemes, which are local but retain some calibration requirements and/or operation limitations, (ii) parabolic slip schemes, which use a two-point implementation but guarantee the consistent prescription of the intended slip velocity condition, at arbitrary plane wall discretizations, further dispensing any numerical calibration procedure. Third and final, we verify the improvements of our proposed slip velocity LBM boundary schemes against existing ones. The numerical tests evaluate the ability of the slip schemes to exactly accommodate the steady Poiseuille channel flow solution, over distinct wall slippage conditions, namely, no-slip, first-order slip, and second-order slip. The modeling of channel walls is discussed at both lattice-aligned and non-mesh-aligned configurations: the first case illustrates the numerical slip due to the incorrect modeling of slippage coefficients, whereas the second case adds the effect of spurious boundary layers created by the deficient accommodation of bulk solution. Finally, the slip-flow solutions predicted by LBM schemes are further evaluated for the Knudsen's paradox problem. As conclusion, this work establishes the parabolic accuracy of slip velocity schemes as the necessary condition for the consistent LBM modeling of the slip-flow regime.

Consistent lattice Boltzmann modeling of low-speed isothermal flows at finite Knudsen numbers in slip-flow regime: Application to plane boundaries.

PubMed

Silva, Goncalo; Semiao, Viriato

2017-07-01

The first nonequilibrium effect experienced by gaseous flows in contact with solid surfaces is the slip-flow regime. While the classical hydrodynamic description holds valid in bulk, at boundaries the fluid-wall interactions must consider slip. In comparison to the standard no-slip Dirichlet condition, the case of slip formulates as a Robin-type condition for the fluid tangential velocity. This makes its numerical modeling a challenging task, particularly in complex geometries. In this work, this issue is handled with the lattice Boltzmann method (LBM), motivated by the similarities between the closure relations of the reflection-type boundary schemes equipping the LBM equation and the slip velocity condition established by slip-flow theory. Based on this analogy, we derive, as central result, the structure of the LBM boundary closure relation that is consistent with the second-order slip velocity condition, applicable to planar walls. Subsequently, three tasks are performed. First, we clarify the limitations of existing slip velocity LBM schemes, based on discrete analogs of kinetic theory fluid-wall interaction models. Second, we present improved slip velocity LBM boundary schemes, constructed directly at discrete level, by extending the multireflection framework to the slip-flow regime. Here, two classes of slip velocity LBM boundary schemes are considered: (i) linear slip schemes, which are local but retain some calibration requirements and/or operation limitations, (ii) parabolic slip schemes, which use a two-point implementation but guarantee the consistent prescription of the intended slip velocity condition, at arbitrary plane wall discretizations, further dispensing any numerical calibration procedure. Third and final, we verify the improvements of our proposed slip velocity LBM boundary schemes against existing ones. The numerical tests evaluate the ability of the slip schemes to exactly accommodate the steady Poiseuille channel flow solution, over distinct wall slippage conditions, namely, no-slip, first-order slip, and second-order slip. The modeling of channel walls is discussed at both lattice-aligned and non-mesh-aligned configurations: the first case illustrates the numerical slip due to the incorrect modeling of slippage coefficients, whereas the second case adds the effect of spurious boundary layers created by the deficient accommodation of bulk solution. Finally, the slip-flow solutions predicted by LBM schemes are further evaluated for the Knudsen's paradox problem. As conclusion, this work establishes the parabolic accuracy of slip velocity schemes as the necessary condition for the consistent LBM modeling of the slip-flow regime.

Diffusive tunneling for alleviating Knudsen-layer reactivity reduction under hydrodynamic mix

NASA Astrophysics Data System (ADS)

Tang, Xianzhu; McDevitt, Chris; Guo, Zehua

2017-10-01

Hydrodynamic mix will produce small features for intermixed deuterium-tritium fuel and inert pusher materials. The geometrical characteristics of the mix feature have a large impact on Knudsen layer yield reduction. We considered two features. One is planar structure, and the other is fuel cells segmented by inert pusher material which can be represented by a spherical DT bubble enclosed by a pusher shell. The truly 3D fuel feature, the spherical bubble, has the largest degree of yield reduction, due to fast ions being lost in all directions. The planar fuel structure, which can be regarded as 1D features, has modest amount of potential for yield degradation. While the increasing yield reduction with increasing Knudsen number of the fuel region is straightforwardly anticipated, we also show, by a combination of direct simulation and simple model, that once the pusher materials is stretched sufficiently thin by hydrodynamic mix, the fast fuel ions diffusively tunnel through them with minimal energy loss, so the Knudsen layer yield reduction becomes alleviated. This yield recovery can occur in a chunk-mixed plasma, way before the far more stringent, asymptotic limit of an atomically homogenized fuel and pusher assembly. Work supported by LANL LDRD program.

Knudsen torque on heated micro beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Qi; Liang, Tengfei; Ye, Wenjing

Thermally induced mechanical loading has been shown to have significant effects on micro/nano objects immersed in a gas with a non-uniform temperature field. While the majority of existing studies and related applications focus on forces, we investigate the torque, and thus the rotational motion, produced by such a mechanism. Using the asymptotic analysis in the near continuum regime, the Knudsen torque acting on an asymmetrically located uniformly heated microbeam in a cold enclosure is investigated. The existence of a non-zero net torque is demonstrated. In addition, it has been found that by manipulating the system configuration, the rotational direction ofmore » the torque can be changed. Two types of rotational motion of the microbeam have been identified: the pendulum motion of a rectangular beam, and the unidirectional rotation of a cylindrical beam. A rotational frequency of 4 rpm can be achieved for the cylindrical beam with a diameter of 3μm at Kn = 0.005. Illustrated by the simulations using the direct simulation of Monte Carlo, the Knudsen torque can be much increased in the transition regime, demonstrating the potential of Knudsen torque serving as a rotation engine for micro/nano objects.« less

Effective Boundary Conditions for Continuum Method of Investigation of Rarefied Gas Flow over Blunt Body

NASA Astrophysics Data System (ADS)

Brykina, I. G.; Rogov, B. V.; Semenov, I. L.; Tirskiy, G. A.

2011-05-01

Super- and hypersonic rarefied gas flow over blunt bodies is investigated by using asymptotically correct viscous shock layer (VSL) model with effective boundary conditions and thin viscous shock layer model. Correct shock and wall conditions for VSL are proposed with taking into account terms due to the curvature which are significant at low Reynolds number. These conditions improve original Davis's VSL model [1]. Numerical calculation of Krook equation [2] is carried out to verify continuum results. Continuum numerical and asymptotic solutions are compared with kinetic solution, free-molecule flow solution and with DSMC solutions [3, 4, 5] over a wide range of free-stream Knudsen number Kn∞. It is shown that taking into account terms with shock and surface curvatures have a pronounced effect on skin friction and heat-transfer in transitional flow regime. Using the asymptotically correct VSL model with effective boundary conditions significantly extends the range of its applicability to higher Kn∞ numbers.

Twin Knudsen Cell Configuration for Activity Measurements by Mass Spectrometry

NASA Technical Reports Server (NTRS)

Jacobson, N. S.

1996-01-01

A twin Knudsen cell apparatus for alloy activity measurements by mass spectrometry is described. Two Knudsen cells - one containing an alloy and one containing a pure component - are mounted on a single flange and translated into the sampling region via a motorized x-y table. Mixing of the molecular beams from the cells is minimized by a novel system of shutters. Activity measurements were taken on two well-characterized alloys to verify the operation of the system. Silver activity measurements are reported for Ag-Cu alloys and aluminum activity measurements are reported for Fe-Al alloys. The temperature dependence of activity for a 0.474 mol fraction Al-Fe alloy gives a partial molar heat of aluminum. Measurements taken with the twin cell show good agreement with literature values for these alloys.

Sheath energy transmission in a collisional plasma with collisionless sheath

DOE PAGES

Tang, Xian-Zhu; Guo, Zehua

2015-10-16

Sheath energy transmission governs the plasma energy exhaust onto a material surface. The ion channel is dominated by convection, but the electron channel has a significant thermal conduction component, which is dominated by the Knudsen layer effect in the presence of an absorbing wall. First-principle kinetic simulations also reveal a robustly supersonic sheath entry flow. The ion sheath energy transmission and the sheath potential are accurately predicted by a sheath model of truncated bi-Maxwellian electron distribution. The electron energy transmission is further enhanced by a parallel heat flux of the perpendicular degrees of freedom.

Enhanced Recovery in Tight Gas Reservoirs using Maxwell-Stefan Equations

NASA Astrophysics Data System (ADS)

Santiago, C. J. S.; Kantzas, A.

2017-12-01

Due to the steep production decline in unconventional gas reservoirs, enhanced recovery (ER) methods are receiving great attention from the industry. Wet gas or liquid rich reservoirs are the preferred ER candidates due to higher added value from natural gas liquids (NGL) production. ER in these reservoirs has the potential to add reserves by improving desorption and displacement of hydrocarbons through the medium. Nevertheless, analysis of gas transport at length scales of tight reservoirs is complicated because concomitant mechanisms are in place as pressure declines. In addition to viscous and Knudsen diffusion, multicomponent gas modeling includes competitive adsorption and molecular diffusion effects. Most models developed to address these mechanisms involve single component or binary mixtures. In this study, ER by gas injection is investigated in multicomponent (C1, C2, C3 and C4+, CO2 and N2) wet gas reservoirs. The competing effects of Knudsen and molecular diffusion are incorporated by using Maxwell-Stefan equations and the Dusty-Gas approach. This model was selected due to its superior properties on representing the physics of multicomponent gas flow, as demonstrated during the presented model validation. Sensitivity studies to evaluate adsorption, reservoir permeability and gas type effects are performed. The importance of competitive adsorption on production and displacement times is demonstrated. In the absence of adsorption, chromatographic separation is negligible. Production is merely dictated by competing effects between molecular and Knudsen diffusion. Displacement fronts travel rapidly across the medium. When adsorption effects are included, molecules with lower affinity to the adsorption sites will be produced faster. If the injected gas is inert (N2), an increase in heavier fraction composition occurs in the medium. During injection of adsorbing gases (CH4 and CO2), competitive adsorption effects will contribute to improved recovery of heavier fractions. In this case, displacement fronts will be delayed due to molecular interaction with pore walls. Therefore, a balance between competitive adsorption versus faster displacement will ultimately define which gas is more efficient for hydrocarbon recovery.

Transition regime analytical solution to gas mass flow rate in a rectangular micro channel

NASA Astrophysics Data System (ADS)

Dadzie, S. Kokou; Dongari, Nishanth

2012-11-01

We present an analytical model predicting the experimentally observed gas mass flow rate in rectangular micro channels over slip and transition regimes without the use of any fitting parameter. Previously, Sone reported a class of pure continuum regime flows that requires terms of Burnett order in constitutive equations of shear stress to be predicted appropriately. The corrective terms to the conventional Navier-Stokes equation were named the ghost effect. We demonstrate in this paper similarity between Sone ghost effect model and newly so-called 'volume diffusion hydrodynamic model'. A generic analytical solution to gas mass flow rate in a rectangular micro channel is then obtained. It is shown that the volume diffusion hydrodynamics allows to accurately predict the gas mass flow rate up to Knudsen number of 5. This can be achieved without necessitating the use of adjustable parameters in boundary conditions or parametric scaling laws for constitutive relations. The present model predicts the non-linear variation of pressure profile along the axial direction and also captures the change in curvature with increase in rarefaction.

Inverse Magnus force in free molecular flow

NASA Astrophysics Data System (ADS)

Herczynski, A.; Weidman, P.

2003-11-01

The sidewise force on a spinning sphere translating in a rarified gas is calculated assuming that the flow can be treated as a stream of free molecules. This approach was first introduced by Newton in his investigation of the drag force. While it is not fruitful at subsonic flows in normal conditions, it gives remarkably accurate results at hypersonic speeds. Here it is applied to the high Knudsen number flow over spinning spheres, cylinders, cubes and more generally any spinning parallelepiped. In all cases, the force is in the opposite direction to that of the classical Magnus effect in continuum flow. The simple calculation for a sphere reproduces the isothermal result obtained recently by Borg, et al. (Phys. Fluids, 15, 2003) using Maxwellian distribution functions. For any parallelepiped, including the cube, just like for the sphere and the cylinder, the force is shown to be steady. In each of these, the magnitude of the inverse Magnus force is proprtional to the product of the angular speed, translational speed, and the mas of the gas displaced by the object.

An analysis of numerical convergence in discrete velocity gas dynamics for internal flows

NASA Astrophysics Data System (ADS)

Sekaran, Aarthi; Varghese, Philip; Goldstein, David

2018-07-01

The Discrete Velocity Method (DVM) for solving the Boltzmann equation has significant advantages in the modeling of non-equilibrium and near equilibrium flows as compared to other methods in terms of reduced statistical noise, faster solutions and the ability to handle transient flows. Yet the DVM performance for rarefied flow in complex, small-scale geometries, in microelectromechanical (MEMS) devices for instance, is yet to be studied in detail. The present study focuses on the performance of the DVM for locally large Knudsen number flows of argon around sharp corners and other sources for discontinuities in the distribution function. Our analysis details the nature of the solution for some benchmark cases and introduces the concept of solution convergence for the transport terms in the discrete velocity Boltzmann equation. The limiting effects of the velocity space discretization are also investigated and the constraints on obtaining a robust, consistent solution are derived. We propose techniques to maintain solution convergence and demonstrate the implementation of a specific strategy and its effect on the fidelity of the solution for some benchmark cases.

Problems in rarefied flows and chemical kinetics

NASA Astrophysics Data System (ADS)

Zhang, Peng

In Part I, a theory on weakly rarefied, low Mach number flows with surface reactions based on small sticking coefficients was first formulated for a binary gas mixture with an irreversible surface reaction, and then extended to a multicomponent mixture with multi-step surface reactions for situation in which all chemically active species are small in concentration compared to a major inert species. Particular interest was placed on the interaction between the Knudsen layer and the surface reactions. Results show that the Knudsen layer modifies not only the incident flux of the molecules striking the surface, but also the temperature-sensitive sticking coefficients and consequently the surface reaction rates. The surface reactions in turn modify the flow structure in the Knudsen layer through the non-zero net flux at the surface. Rate expressions for the surface reactions based on sticking coefficients were derived, and slip boundary conditions for temperature and species concentration suitable for application were established. The widely-used Motz-Wise correction formula for the surface reaction rate was revised and the underlying assumptions leading to its derivation were shown to be incorrect. As an application of the theory, an activation energy asymptotic analysis with one-step overall reaction was performed for the stabilization and extinction of a premixed flame over a rotating disk at sufficiently low pressures, for its relevance in low-pressure CVD (chemical vapor deposition) operations in which the flow is weakly rarefied. Extinction criteria based on the critical Damkohler number were obtained through the S-curve concept, parametrically demonstrating the influence of the CVD operating conditions, such as the spin rate and temperature of the disk, on flame extinction. It is further shown that, while decreasing pressure and hence the reactivity of the mixture tends to extinguish the flame, the trend can be substantially weakened by taking into account of the influence of the Knudsen layer, which reduces the heat loss to the disk as well as the flow stretch rate at the flame. In Part II, a theoretical analysis was performed for the head-on collision of two identical droplets in a gaseous environment, with the attendant bouncing and coalescence outcomes, for situations in which the extent of droplet deformation upon collision is comparable to the original droplet radius, corresponding to O(1--10) of the droplet Weber number. The model embodies the essential physics that describes the substantial amount of droplet deformation, the viscous loss through droplet internal motion induced by the deformation, the dynamics and rarefied nature of the gas film between the interfaces of the colliding droplets, and the potential destruction and thereby merging of these interfaces due to the van der Waals attraction force. The theoretical model was applied to investigate collisions involving hydrocarbon and water droplets at sub- and super-atmospheric pressures. In Part III, a fitting formula was first proposed to approximate the fall-off curves of the pressure- and temperature-dependent unimolecular reaction rate constants. Compared with the widely used Troe's formula, the present expression has the potential to substantially reduce the computation time in its evaluation because of the mathematical simplicity. Four testing reactions from the VariFlex program package were used to examine the accuracy of the present formula, showing improved performance as compared with previous expressions. Furthermore, the present formula shows improved computational efficiency compared to Troe's formula by savings of more than 60% computation time on its evaluation. Studies on chemical kinetics have also included a separate analysis on the decomposition kinetics of CH3NHNH2 (Monomethylhydrazine) with the ab initio transition state theory based master equation analyses. The simple NN and CN bond fissions to produce the radicals CH 3NH + NH2 or CH3 + NHNH2 are expected to dominate the decomposition kinetics. The transition states for these two bond fissions are studied with variable reaction coordinate transition state theory employing directly determined CASPT2/aug-cc-pVDZ interaction energies. Orientation independent corrections for limitations in the basis set and for the effects of conserved mode geometry relaxation are included. Predictions for the pressure dependence and product branching in the dissociation of CH 3NHNH2 are obtained by solving the master equation. (Abstract shortened by UMI.)

Lattice Boltzmann accelerated direct simulation Monte Carlo for dilute gas flow simulations.

PubMed

Di Staso, G; Clercx, H J H; Succi, S; Toschi, F

2016-11-13

Hybrid particle-continuum computational frameworks permit the simulation of gas flows by locally adjusting the resolution to the degree of non-equilibrium displayed by the flow in different regions of space and time. In this work, we present a new scheme that couples the direct simulation Monte Carlo (DSMC) with the lattice Boltzmann (LB) method in the limit of isothermal flows. The former handles strong non-equilibrium effects, as they typically occur in the vicinity of solid boundaries, whereas the latter is in charge of the bulk flow, where non-equilibrium can be dealt with perturbatively, i.e. according to Navier-Stokes hydrodynamics. The proposed concurrent multiscale method is applied to the dilute gas Couette flow, showing major computational gains when compared with the full DSMC scenarios. In addition, it is shown that the coupling with LB in the bulk flow can speed up the DSMC treatment of the Knudsen layer with respect to the full DSMC case. In other words, LB acts as a DSMC accelerator.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

Effects of magnetic-fluid flow on structural instability of a carbon nanotube conveying nanoflow under a longitudinal magnetic field

NASA Astrophysics Data System (ADS)

Sadeghi-Goughari, Moslem; Jeon, Soo; Kwon, Hyock-Ju

2017-09-01

In drug delivery systems, carbon nanotubes (CNTs) can be used to deliver anticancer drugs into target site to kill metastatic cancer cells under the magnetic field guidance. Deep understanding of dynamic behavior of CNTs in drug delivery systems may enable more efficient use of the drugs while reducing systemic side effects. In this paper, we study the effect of magnetic-fluid flow on the structural instability of a CNT conveying nanoflow under a longitudinal magnetic field. The Navier-Stokes equation of magnetic-fluid flow is coupled with Euler-Bernoulli beam theory for modeling fluid structure interaction (FSI). Size effects of the magnetic fluid and the CNT are addressed through small-scale parameters including the Knudsen number (Kn) and the nonlocal parameter. Results show the positive role of magnetic properties of fluid flow on the structural stability of CNT. Specifically, magnetic force applied to the fluid flow has an effect of decreasing the structural stiffness of system while increasing the critical flow velocity. Furthermore, we discover that the nanoscale effects of CNT and fluid flow tend to amplify the influence of magnetic field on the vibrational behavior of the system.

Nonlinear stability of the 1D Boltzmann equation in a periodic box

NASA Astrophysics Data System (ADS)

Wu, Kung-Chien

2018-05-01

We study the nonlinear stability of the Boltzmann equation in the 1D periodic box with size , where is the Knudsen number. The convergence rate is for small time region and exponential for large time region. Moreover, the exponential rate depends on the size of the domain (Knudsen number). This problem is highly nonlinear and hence we need more careful analysis to control the nonlinear term.

Knudsen Cell Studies of Ti-Al Thermodynamics

NASA Technical Reports Server (NTRS)

Jacobson, Nathan S.; Copland, Evan H.; Mehrotra, Gopal M.; Auping, Judith; Gray, Hugh R. (Technical Monitor)

2002-01-01

In this paper we describe the Knudsen cell technique for measurement of thermodynamic activities in alloys. Numerous experimental details must be adhered to in order to obtain useful experimental data. These include introduction of an in-situ standard, precise temperature measurement, elimination of thermal gradients, and precise cell positioning. Our first design is discussed and some sample data on Ti-Al alloys is presented. The second modification and associated improvements are also discussed.

A hybrid model for coupling kinetic corrections of fusion reactivity to hydrodynamic implosion simulations

NASA Astrophysics Data System (ADS)

Tang, Xian-Zhu; McDevitt, C. J.; Guo, Zehua; Berk, H. L.

2014-03-01

Inertial confinement fusion requires an imploded target in which a central hot spot is surrounded by a cold and dense pusher. The hot spot/pusher interface can take complicated shape in three dimensions due to hydrodynamic mix. It is also a transition region where the Knudsen and inverse Knudsen layer effect can significantly modify the fusion reactivity in comparison with the commonly used value evaluated with background Maxwellians. Here, we describe a hybrid model that couples the kinetic correction of fusion reactivity to global hydrodynamic implosion simulations. The key ingredient is a non-perturbative treatment of the tail ions in the interface region where the Gamow ion Knudsen number approaches or surpasses order unity. The accuracy of the coupling scheme is controlled by the precise criteria for matching the non-perturbative kinetic model to perturbative solutions in both configuration space and velocity space.

Rarefied gas flows through a curved channel: Application of a diffusion-type equation

NASA Astrophysics Data System (ADS)

Aoki, Kazuo; Takata, Shigeru; Tatsumi, Eri; Yoshida, Hiroaki

2010-11-01

Rarefied gas flows through a curved two-dimensional channel, caused by a pressure or a temperature gradient, are investigated numerically by using a macroscopic equation of convection-diffusion type. The equation, which was derived systematically from the Bhatnagar-Gross-Krook model of the Boltzmann equation and diffuse-reflection boundary condition in a previous paper [K. Aoki et al., "A diffusion model for rarefied flows in curved channels," Multiscale Model. Simul. 6, 1281 (2008)], is valid irrespective of the degree of gas rarefaction when the channel width is much shorter than the scale of variations of physical quantities and curvature along the channel. Attention is also paid to a variant of the Knudsen compressor that can produce a pressure raise by the effect of the change of channel curvature and periodic temperature distributions without any help of moving parts. In the process of analysis, the macroscopic equation is (partially) extended to the case of the ellipsoidal-statistical model of the Boltzmann equation.

The study of sound wave propagation in rarefied gases using unified gas-kinetic scheme

NASA Astrophysics Data System (ADS)

Wang, Rui-Jie; Xu, Kun

2012-08-01

Sound wave propagation in rarefied monatomic gases is simulated using a newly developed unified gaskinetic scheme (UGKS). The numerical calculations are carried out for a wide range of wave oscillating frequencies. The corresponding rarefaction parameter is defined as the ratio of sound wave frequency to the intermolecular particle collision frequency. The simulation covers the flow regime from the continuum to free molecule one. The treatment of the oscillating wall boundary condition and the methods for evaluating the absorption coefficient and sound wave speed are presented in detail. The simulation results from the UGKS are compared to the Navier-Stokes solutions, the direct simulation Monte Carlo (DSMC) simulation, and experimental measurements. Good agreement with the experimental data has been obtained in the whole flow regimes for the corresponding Knudsen number from 0.08 to 32. The current study clearly demonstrates the capability of the UGKS method in capturing the sound wave propagation and its usefulness for the rarefied flow study.

Space Cryogenics Workshop, University of Wisconsin, Madison, June 22, 23, 1987

NASA Technical Reports Server (NTRS)

1988-01-01

Papers are presented on liquid helium servicing from the Space Station, performance estimates in the Superfluid Helium On-Orbit Transfer Flight Experiment, an analytical study of He II flow characteristics in the SHOOT transfer line, a Dewar to Dewar model for superfluid helium transfer, and mechanical pumps for superfluid helium transfer in space. Attention is also given to the cavitation characteristics of a small centrifugal pump in He I and He II, turbulent flow pressure drop in various He II transfer system components, slip effects associated with Knudsen transport phenomena in porous media, and an integrated fountain effect pump device for fluid management at low gravity. Other papers are on liquid/vapor phase separation in He-4 using electric fields, an enclosed capillary device for low-gravity management of He II, cavitation in flowing superfluid helium, the long-term performance of the passive thermal control systems of the IRAS spacecraft, and a novel approach to supercritical helium flight cryostat support structures.

Fyn: A Key Regulator of Metastasis in Prostate Cancer

DTIC Science & Technology

2013-06-01

CSMC with Drs. Leland Chung, Michael Freeman, Neil Bhowmick, Beatrice Knudsen, Hyung Kim, Dolores DiVizio, Howard Sandler, and Stuart Holden... Heath EI, Posadas EM, Yu EY, Harrison MR, Bruce JY, Cho SY, Wilding GE, Fetterly GJ, Hangauer DG, Kwan MF, Dyster LM, Carducci MA. A phase 2 study of...assays of Fyn and Met Neil Bhowmick, PhD- cysteine as a biomarker in PCa (forthcoming clinical trial) Beatrice Knudsen, MD-PhD- MET/SRC/FYN

The onset of fluid-dynamical behavior in relativistic kinetic theory

NASA Astrophysics Data System (ADS)

Noronha, Jorge; Denicol, Gabriel S.

2017-11-01

In this proceedings we discuss recent findings regarding the large order behavior of the Chapman-Enskog expansion in relativistic kinetic theory. It is shown that this series in powers of the Knudsen number has zero radius of convergence in the case of a Bjorken expanding fluid described by the Boltzmann equation in the relaxation time approximation. This divergence stems from the presence of non-hydrodynamic modes, which give non-perturbative contributions to the Knudsen series.

Performance evaluation of Maxwell and Cercignani-Lampis gas-wall interaction models in the modeling of thermally driven rarefied gas transport.

PubMed

Liang, Tengfei; Li, Qi; Ye, Wenjing

2013-07-01

A systematic study on the performance of two empirical gas-wall interaction models, the Maxwell model and the Cercignani-Lampis (CL) model, in the entire Knudsen range is conducted. The models are evaluated by examining the accuracy of key macroscopic quantities such as temperature, density, and pressure, in three benchmark thermal problems, namely the Fourier thermal problem, the Knudsen force problem, and the thermal transpiration problem. The reference solutions are obtained from a validated hybrid DSMC-MD algorithm developed in-house. It has been found that while both models predict temperature and density reasonably well in the Fourier thermal problem, the pressure profile obtained from Maxwell model exhibits a trend that opposes that from the reference solution. As a consequence, the Maxwell model is unable to predict the orientation change of the Knudsen force acting on a cold cylinder embedded in a hot cylindrical enclosure at a certain Knudsen number. In the simulation of the thermal transpiration coefficient, although all three models overestimate the coefficient, the coefficient obtained from CL model is the closest to the reference solution. The Maxwell model performs the worst. The cause of the overestimated coefficient is investigated and its link to the overly constrained correlation between the tangential momentum accommodation coefficient and the tangential energy accommodation coefficient inherent in the models is pointed out. Directions for further improvement of models are suggested.

Idiosyncrasies of Physical Vapor Deposition Processes from Various Knudsen Cells for Quinacridone Thin Film Growth on Silicon Dioxide

PubMed Central

2015-01-01

Thin films of quinacridone deposited by physical vapor deposition on silicon dioxide were investigated by thermal desorption spectroscopy (TDS), mass spectrometry (MS), atomic force microscopy (AFM), specular and grazing incidence X-ray diffraction (XRD, GIXD), and Raman spectroscopy. Using a stainless steel Knudsen cell did not allow the preparation of a pure quinacridone film. TDS and MS unambiguously showed that in addition to quinacridone, desorbing at about 500 K (γ-peak), significant amounts of indigo desorbed at about 420 K (β-peak). The existence of these two species on the surface was verified by XRD, GIXD, and Raman spectroscopy. The latter spectroscopies revealed that additional species are contained in the films, not detected by TDS. In the film mainly composed of indigo a species was identified which we tentatively attribute to carbazole. The film consisting of mainly quinacridone contained in addition p-sexiphenyl. The reason for the various decomposition species effusing from the metal Knudsen cell is the comparably high sublimation temperature of the hydrogen bonded quinacridone. With special experimental methods and by using glass Knudsen-type cells we were able to prepare films which exclusively consist of molecules either corresponding to the β-peak or the γ-peak. These findings are of relevance for choosing the proper deposition techniques in the preparation of quinacridone films in the context of organic electronic devices. PMID:26401189

Effects of continuum breakdown on hypersonic aerothermodynamics for reacting flow

NASA Astrophysics Data System (ADS)

Holman, Timothy D.; Boyd, Iain D.

2011-02-01

This study investigates the effects of continuum breakdown on the surface aerothermodynamic properties (pressure, stress, and heat transfer rate) of a sphere in a Mach 25 flow of reacting air in regimes varying from continuum to a rarefied gas. Results are generated using both continuum [computational fluid dynamics (CFD)] and particle [direct simulation Monte Carlo (DSMC)] approaches. The DSMC method utilizes a chemistry model that calculates the backward rates from an equilibrium constant. A preferential dissociation model is modified in the CFD method to better compare with the vibrationally favored dissociation model that is utilized in the DSMC method. Tests of these models are performed to confirm their validity and to compare the chemistry models in both numerical methods. This study examines the effect of reacting air flow on continuum breakdown and the surface properties of the sphere. As the global Knudsen number increases, the amount of continuum breakdown in the flow and on the surface increases. This increase in continuum breakdown significantly affects the surface properties, causing an increase in the differences between CFD and DSMC. Explanations are provided for the trends observed.

Plasma kinetic effects on atomistic mix in one dimension and at structured interfaces (I)

NASA Astrophysics Data System (ADS)

Yin, L.; Albright, B. J.; Vold, E. L.; Taitano, W.; Chacon, L.; Simakov, A.

2017-10-01

Kinetic effects on interfacial mix are examined using VPIC simulations. In 1D, comparisons are made to the results of analytic theory in the small Knudsen number limit. While the bulk mixing properties of interfaces are in general agreement, differences arise near the low-concentration fronts during the early evolution of a sharp interface when the species' perpendicular scattering rate dominates over the slowing down rate. In kinetic simulations, the diffusion velocities can be larger or comparable to the ion thermal speeds, and the Knudsen number can be large. Super-diffusive growth in mix widths (Δx ta where a >=1/2) is seen before transition to the slow diffusive process predicted from theory (a =1/2). Mixing at interfaces leads to persistent, bulk, hydrodynamic features in the center of mass flow profiles as a result of diffusion and momentum conservation. These conclusions are drawn from VPIC results together with simulations from the RAGE hydrodynamics code with an implementation of diffusion and viscosity from theory and an implicit Vlasov-Fokker-Planck code iFP. In perturbed 2D and 3D interfaces, it is found that 1D ambipolarity is still valid and that initial perturbations flatten out on a-few-ps time scale, implying that finite diffusivity and viscosity can slow instability growth in ICF and HED settings. Work supported by the LANL ASC and Science programs.

Skin friction and heat transfer correlations for high-speed low-density flow past a flat plate

NASA Technical Reports Server (NTRS)

Woronowicz, Michael S.; Baganoff, Donald

1991-01-01

The independent and dependent variables associated with drag and heat transfer to a flat plate at zero incidence in high-speed, rarefied flow are analyzed anew to reflect the importance of kinetic effects occurring near the plate surface on energy and momentum transfer, rather than following arguments normally used to describe continuum, higher density flowfields. A new parameter, the wall Knudsen number Knx,w, based on an estimate of the mean free path length of molecules having just interacted with the surface of the plate, is introduced and used to correlate published drag and heat transfer data. The new parameter is shown to provide better correlation than either the viscous interaction parameter X or the widely-used slip parameter Voo for drag and heat transfer data over a wide range of Mach numbers, Reynolds numbers, and plate-to-freestream stagnation temperature ratios.

Extension of the Viscous Collision Limiting Direct Simulation Monte Carlo Technique to Multiple Species

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Burt, Jonathan M.

2016-01-01

There are many flows fields that span a wide range of length scales where regions of both rarefied and continuum flow exist and neither direct simulation Monte Carlo (DSMC) nor computational fluid dynamics (CFD) provide the appropriate solution everywhere. Recently, a new viscous collision limited (VCL) DSMC technique was proposed to incorporate effects of physical diffusion into collision limiter calculations to make the low Knudsen number regime normally limited to CFD more tractable for an all-particle technique. This original work had been derived for a single species gas. The current work extends the VCL-DSMC technique to gases with multiple species. Similar derivations were performed to equate numerical and physical transport coefficients. However, a more rigorous treatment of determining the mixture viscosity is applied. In the original work, consideration was given to internal energy non-equilibrium, and this is also extended in the current work to chemical non-equilibrium.

Rarefied flow past a flat plate at incidence

NASA Technical Reports Server (NTRS)

Dogra, Virendra K.; Moss, James N.; Price, Joseph M.

1988-01-01

Results of a numerical study using the direct simulation Monte Carlo (DSMC) method are presented for the transitional flow about a flat plate at 40 deg incidence. The plate has zero thickness and a length of 1.0 m. The flow conditions simulated are those experienced by the Shuttle Orbiter during reentry at 7.5 km/s. The range of freestream conditions are such that the freestream Knudsen number values are between 0.02 and 8.4, i.e., conditions that encompass most of the transitional flow regime. The DSMC simulations show that transitional effects are evident when compared with free molecule results for all cases considered. The calculated results demonstrate clearly the necessity of having a means of identifying the effects of transitional flow when making aerodynamic flight measurements as are currently being made with the Space Shuttle Orbiter vehicles. Previous flight data analyses have relied exclusively on adjustments in the gas-surface interaction models without accounting for the transitional effect which can be comparable in magnitude. The present calculations show that the transitional effect at 175 km would increase the Space Shuttle Orbiter lift-drag ratio by 90 percent over the free molecule value.

Linearized lattice Boltzmann method for micro- and nanoscale flow and heat transfer.

PubMed

Shi, Yong; Yap, Ying Wan; Sader, John E

2015-07-01

Ability to characterize the heat transfer in flowing gases is important for a wide range of applications involving micro- and nanoscale devices. Gas flows away from the continuum limit can be captured using the Boltzmann equation, whose analytical solution poses a formidable challenge. An efficient and accurate numerical simulation of the Boltzmann equation is thus highly desirable. In this article, the linearized Boltzmann Bhatnagar-Gross-Krook equation is used to develop a hierarchy of thermal lattice Boltzmann (LB) models based on half-space Gaussian-Hermite (GH) quadrature ranging from low to high algebraic precision, using double distribution functions. Simplified versions of the LB models in the continuum limit are also derived, and are shown to be consistent with existing thermal LB models for noncontinuum heat transfer reported in the literature. Accuracy of the proposed LB hierarchy is assessed by simulating thermal Couette flows for a wide range of Knudsen numbers. Effects of the underlying quadrature schemes (half-space GH vs full-space GH) and continuum-limit simplifications on computational accuracy are also elaborated. The numerical findings in this article provide direct evidence of improved computational capability of the proposed LB models for modeling noncontinuum flows and heat transfer at small length scales.

Diffusion of oxygen through cork stopper: is it a Knudsen or a Fickian mechanism?

PubMed

Lagorce-Tachon, Aurélie; Karbowiak, Thomas; Simon, Jean-Marc; Gougeon, Régis; Bellat, Jean-Pierre

2014-09-17

The aim of this work is to identify which law governs oxygen transfer through cork: Knudsen or Fickian mechanism. This is important to better understand wine oxidation during post-bottling aging. Oxygen transfer through cork wafers is measured at 298 K using a manometric permeation technique. Depending on the mechanism, we can extract the transport coefficients. Increasing the initial pressure of oxygen from 50 to 800 hPa leads to a change in the values of the transport coefficients. This implies that oxygen transport through cork does not obey the Knudsen law. From these results, we conclude that the limiting step of oxygen transport through cork occurs in the cell wall following Fickian law. From the diffusion dependence's coefficients with pressure, we also extract by applying transition state theory an apparent activation volume of 45 ± 4 nm(3). This high value indicates that oxygen molecules also diffuse from one site to another by passing through a gas phase.

Knudsen pump produced via silicon deep RIE, thermal oxidation, and anodic bonding processes for on-chip vacuum pumping

NASA Astrophysics Data System (ADS)

Van Toan, Nguyen; Inomata, Naoki; Trung, Nguyen Huu; Ono, Takahito

2018-05-01

This work describes the fabrication and evaluation of the Knudsen pump for on-chip vacuum pumping that works based on the principle of a thermal transpiration. Three AFM (atomic force microscope) cantilevers are integrated into small chambers with a size of 5 mm  ×  3 mm  ×  0.4 mm for the pump’s evaluation. Knudsen pump is fabricated using deep RIE (reactive ion etching), wet thermal oxidation and anodic bonding processes. The fabricated device is evaluated by monitoring the quality (Q) factor of the integrated cantilevers. The Q factor of the cantilever is increased from 300 -1150 in cases without and with a temperature difference approximately 25 °C between the top (the hot side at 40 °C) and bottom (the cold side at 15 °C) sides of the fabricated device, respectively. The evacuated chamber pressure of around 10 kPa is estimated from the Q factor of the integrated cantilevers.

The solution of a model problem of the atmospheric entry of a small meteoroid

NASA Astrophysics Data System (ADS)

Zalogin, G. N.; Kusov, A. L.

2016-03-01

Direct simulation Monte Carlo modeling (DSMC) is used to solve the problem of the entry into the Earth's atmosphere of a small meteoroid. The main aspects of the physical theory of meteors, such as mass loss (ablation) and effects of aerodynamic and thermal shielding, are considered based on the numerical solution of the model problem of the atmospheric entry of an iron meteoroid. The DSMC makes it possible to obtain insight into the structure of the disturbed area around the meteoroid (coma) and trace its evolution depending on entry velocity and height (Knudsen number) in a transitional flow regime where calculation methods used for free molecular and continuum regimes are inapplicable.

Viscous slip coefficients for binary gas mixtures measured from mass flow rates through a single microtube

NASA Astrophysics Data System (ADS)

Yamaguchi, H.; Takamori, K.; Perrier, P.; Graur, I.; Matsuda, Y.; Niimi, T.

2016-09-01

The viscous slip coefficient for helium-argon binary gas mixture is extracted from the experimental values of the mass flow rate through a microtube. The mass flow rate is measured by the constant-volume method. The viscous slip coefficient was obtained by identifying the measured mass flow rate through a microtube with the corresponding analytical expression, which is a function of the Knudsen number. The measurements were carried out in the slip flow regime where the first-order slip boundary condition can be applied. The measured viscous slip coefficients of binary gas mixtures exhibit a concave function of the molar ratio of the mixture, showing a similar profile with numerical results. However, from the detailed comparison between the measured and numerical values with the complete and incomplete accommodation at a surface, it is inappropriate to estimate the viscous slip coefficient for the mixture numerically by employing separately measured tangential momentum accommodation coefficient for each component. The time variation of the molar ratio in the downstream chamber was measured by sampling the gas from the chamber using the quadrupole mass spectrometer. In our measurements, it is indicated that the volume flow rate of argon is larger than that of helium because of the difference in the tangential momentum accommodation coefficient.

Study of vaporization of sodium metaborate by transpiration thermogravimetry and Knudsen effusion mass spectrometry.

PubMed

Narasimhan, T S Lakshmi; Viswanathan, R; Nalini, S

2011-11-17

The vaporization of solid sodium metaborate NaBO(2)(s) was studied by transpiration thermogravimetry (TTG) and Knudsen effusion mass spectrometry (KEMS). The transpiration measurements, performed for the first time on NaBO(2)(s), involved use of argon as the carrier gas for vapor transport and derivation of vapor pressure of NaBO(2)(g) (by assuming it as the sole vapor species) through many flow-dependence runs and temperature-dependence runs in the temperature range 1075-1218 K. The KEMS measurements performed in the temperature range 1060-1185 K confirmed NaBO(2)(g) as the principal vapor species over NaBO(2)(s), in accord with the previously reported KEMS studies. The values of p(NaBO(2)) obtained by both TTG and KEMS are consistent within the uncertainties associated with each method and so are the second- and third-law values of enthalpy of sublimation, the latter aspect consistently missing in all previous vaporization studies. The results of both TTG and KEMS were combined to recommend the following thermodynamic parameters pertinent to the sublimation reaction, NaBO(2)(s) = NaBO(2)(g): Log{p(NaBO(2))/Pa} = -(17056 ± 441)/(T/K) + (14.73 ± 0.35) for the temperature range 1060-1218 K; Δ(r)H°(m)(298.15 K) = (346.3 ± 9.4) kJ·mol(-1); and Δ(r)S°(m)(298.15 K) = (210.2 ± 6.8) J·mol(-1)·K(-1).

DSMC simulation of rarefied gas flows under cooling conditions using a new iterative wall heat flux specifying technique

NASA Astrophysics Data System (ADS)

Akhlaghi, H.; Roohi, E.; Myong, R. S.

2012-11-01

Micro/nano geometries with specified wall heat flux are widely encountered in electronic cooling and micro-/nano-fluidic sensors. We introduce a new technique to impose the desired (positive/negative) wall heat flux boundary condition in the DSMC simulations. This technique is based on an iterative progress on the wall temperature magnitude. It is found that the proposed iterative technique has a good numerical performance and could implement both positive and negative values of wall heat flux rates accurately. Using present technique, rarefied gas flow through micro-/nanochannels under specified wall heat flux conditions is simulated and unique behaviors are observed in case of channels with cooling walls. For example, contrary to the heating process, it is observed that cooling of micro/nanochannel walls would result in small variations in the density field. Upstream thermal creep effects in the cooling process decrease the velocity slip despite of the Knudsen number increase along the channel. Similarly, cooling process decreases the curvature of the pressure distribution below the linear incompressible distribution. Our results indicate that flow cooling increases the mass flow rate through the channel, and vice versa.

Percolation Network Study on the Gas Apparent Permeability of Rock

NASA Astrophysics Data System (ADS)

Wang, Y.; Tang, Y. B.; Li, M.

2017-12-01

We modeled the gas single phase transport behaviors of monomodal porous media using percolation networks. Different from the liquid absolute permeability, which is only related to topology and morphology of pore space, the gas permeability depends on pore pressure as well. A published gas flow conductance model, included usual viscous flow, slip flow and Knudsen diffusion in cylinder pipe, was used to simulated gas flow in 3D, simple cubic, body-center cubic and face-center cubic networks with different hydraulic radius, different coordination number, and different pipe radius distributions under different average pore pressure. The simulation results showed that the gas apparent permeability kapp obey the `universal' scaling law (independence of network lattices), kapp (z-zc)β, where exponent β is related to pore radius distribution, z is coordination number and zc=1.5. Following up on Bernabé et al.'s (2010) study of the effects of pore connectivity and pore size heterogeneity on liquid absolute permeability, gas apparent permeability kapp model and a new joint gas-liquid permeability (i.e., kapp/k∞) model, which could explain the Klinkenberg phenomenon, were proposed. We satisfactorily tested the models by comparison with published experimental data on glass beads and other datasets.

Investigating the validity of the Knudsen prescription for diffusivities in a mesoporous covalent organic framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krishna, Rajamani; van Baten, Jasper M.

2011-04-27

Molecular dynamics (MD) simulations were performed to determine the self-diffusivity (D i,self) and the Maxwell–Stefan diffusivity (Ð I) of hydrogen, argon, carbon dioxide, methane, ethane, propane, n-butane, n-pentane, and n-hexane in BTP-COF, which is a covalent organic framework (COF) that has one-dimensional 3.4-nm-sized channels. The MD simulations show that the zero-loading diffusivity (Ð I(0)) is consistently lower, by up to a factor of 10, than the Knudsen diffusivity (D i,Kn) values. The ratio Ð I(0)/D i,Kn is found to correlate with the isosteric heat of adsorption, which, in turn, is a reflection of the binding energy for adsorption on themore » pore walls: the stronger the binding energy, the lower the ratio Ð I(0)/D i,Kn. The diffusion selectivity, which is defined by the ratio D 1,self/D 2,self for binary mixtures, was determined to be significantly different from the Knudsen selectivity (M 2/M 1) 1/2, where M I is the molar mass of species i. For mixtures in which component 2 is more strongly adsorbed than component 1, the expression (D 1,self/D 2,self)/(M 2/M 1)1/2 has values in the range of 1–10; the departures from the Knudsen selectivity increased with increasing differences in adsorption strengths of the constituent species. The results of this study have implications in the modeling of diffusion within mesoporous structures, such as MCM-41 and SBA-15.« less

Linearized-moment analysis of the temperature jump and temperature defect in the Knudsen layer of a rarefied gas.

PubMed

Gu, Xiao-Jun; Emerson, David R

2014-06-01

Understanding the thermal behavior of a rarefied gas remains a fundamental problem. In the present study, we investigate the predictive capabilities of the regularized 13 and 26 moment equations. In this paper, we consider low-speed problems with small gradients, and to simplify the analysis, a linearized set of moment equations is derived to explore a classic temperature problem. Analytical solutions obtained for the linearized 26 moment equations are compared with available kinetic models and can reliably capture all qualitative trends for the temperature-jump coefficient and the associated temperature defect in the thermal Knudsen layer. In contrast, the linearized 13 moment equations lack the necessary physics to capture these effects and consistently underpredict kinetic theory. The deviation from kinetic theory for the 13 moment equations increases significantly for specular reflection of gas molecules, whereas the 26 moment equations compare well with results from kinetic theory. To improve engineering analyses, expressions for the effective thermal conductivity and Prandtl number in the Knudsen layer are derived with the linearized 26 moment equations.

Condensation in One-Dimensional Dead-End Nanochannels.

PubMed

Zhong, Junjie; Zandavi, Seyed Hadi; Li, Huawei; Bao, Bo; Persad, Aaron H; Mostowfi, Farshid; Sinton, David

2017-01-24

Phase change at the nanoscale is at the heart of many biological and geological phenomena. The recent emergence and global implications of unconventional oil and gas production from nanoporous shale further necessitate a higher understanding of phase behavior at these scales. Here, we directly observe condensation and condensate growth of a light hydrocarbon (propane) in discrete sub-100 nm (∼70 nm) channels. Two different condensation mechanisms at this nanoscale are distinguished, continuous growth and discontinuous growth due to liquid bridging ahead of the meniscus, both leading to similar net growth rates. The growth rates agree well with those predicted by a suitably defined thermofluid resistance model. In contrast to phase change at larger scales (∼220 and ∼1000 nm cases), the rate of liquid condensate growth in channels of sub-100 nm size is found to be limited mainly by vapor flow resistance (∼70% of the total resistance here), with interface resistance making up the difference. The condensation-induced vapor flow is in the transitional flow regime (Knudsen flow accounting for up to 13% of total resistance here). Collectively, these results demonstrate that with confinement at sub-100 nm scales, such as is commonly found in porous shale and other applications, condensation conditions deviate from the microscale and larger bulk conditions chiefly due to vapor flow and interface resistances.

Side-wall gas 'creep' and 'thermal stress convection' in microgravity experiments on film growth by vapor transport

NASA Technical Reports Server (NTRS)

Rosner, Daniel E.

1989-01-01

While 'no-slip' boundary conditions and the Navier-Stokes equations of continuum fluid mechanics have served the vapor transport community well until now, it is pointed out that transport conditions within highly nonisothermal ampoules are such that the nonisothermal side walls 'drive' the dominant convective flow, and the familiar Stokes-Fourier-Fick laws governing the molecular fluxes of momentum, energy, and (species) mass in the 'continuum' field equations will often prove to be inadequate, even at Knudsen numbers as small as 0.001. The implications of these interesting gas kinetic phenomena under microgravity conditions, and even under 'earth-bound' experimental conditions, are outlined here, along with a tractable approach to their systematic treatment.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuleyev, I. G., E-mail: kuleev@imp.uran.ru; Kuleyev, I. I.; Bakharev, S. M.

We study the effect of anisotropy in elastic properties on the electron–phonon drag and thermoelectric phenomena in gapless semiconductors with degenerate charge-carrier statistics. It is shown that phonon focusing leads to a number of new effects in the drag thermopower at low temperatures, when diffusive phonon scattering from the boundaries is the predominant relaxation mechanism. We analyze the effect of phonon focusing on the dependences of the thermoelectromotive force (thermopower) in HgSe:Fe crystals on geometric parameters and the heat-flow directions relative to the crystal axes in the Knudsen regime of the phonon gas flow. The crystallographic directions that ensure themore » maximum and minimum values of the thermopower are determined and the role of quasi-longitudinal and quasi-transverse phonons in the drag thermopower in HgSe:Fe crystals at low temperatures is analyzed. It is shown that the main contribution to the drag thermopower comes from slow quasi-transverse phonons in the directions of focusing in long samples.« less

Vaporization Studies of Olivine via Knudsen Effusion Mass Spectrometry

NASA Technical Reports Server (NTRS)

Costa, G. C. C.; Jacobson, N. S.

2014-01-01

Olivine is the major mineral in the Earth's upper mantle occurring predominantly in igneous rocks and has been identified in meteorites, asteroids, the Moon and Mars. Among many other important applications in planetary and materials sciences, the thermodynamic properties of vapor species from olivine are crucial as input parameters in computational modelling of the atmospheres of hot, rocky exoplanets (lava planets). There are several weight loss studies of olivine vaporization in the literature and one Knudsen Effusion Mass Spectrometry (KEMS) study. In this study, we examine a forsterite-rich olivine (93% forsterite and 7% fayalite, Fo93Fa7) with KEMS to further understand its vaporization and thermodynamic properties.

Unifying diffusion and seepage for nonlinear gas transport in multiscale porous media

NASA Astrophysics Data System (ADS)

Song, Hongqing; Wang, Yuhe; Wang, Jiulong; Li, Zhengyi

2016-09-01

We unify the diffusion and seepage process for nonlinear gas transport in multiscale porous media via a proposed new general transport equation. A coherent theoretical derivation indicates the wall-molecule and molecule-molecule collisions drive the Knudsen and collective diffusive fluxes, and constitute the system pressure across the porous media. A new terminology, nominal diffusion coefficient can summarize Knudsen and collective diffusion coefficients. Physical and numerical experiments show the support of the new formulation and provide approaches to obtain the diffusion coefficient and permeability simultaneously. This work has important implication for natural gas extraction and greenhouse gases sequestration in geological formations.

Thermodynamic Activity Measurements with Knudsen Cell Mass Spectrometry

NASA Technical Reports Server (NTRS)

Copland, Evan H.; Jacobson, Nathan S.

2001-01-01

Coupling the Knudsen effusion method with mass spectrometry has proven to be one of the most useful experimental techniques for studying the equilibrium between condensed phases and complex vapors. The Knudsen effusion method involves placing a condensed sample in a Knudsen cell, a small "enclosure", that is uniformly heated and held until equilibrium is attained between the condensed and vapor phases. The vapor is continuously sampled by effusion through a small orifice in the cell. A molecular beam is formed from the effusing vapor and directed into a mass spectrometer for identification and pressure measurement of the species in the vapor phase. Knudsen cell mass spectrometry (KCMS) has been used for nearly fifty years now and continues to be a leading technique for obtaining thermodynamic data. Indeed, much of the well-established vapor specie data in the JANAF tables has been obtained from this technique. This is due to the extreme versatility of the technique. All classes of materials can be studied and all constituents of the vapor phase can be measured over a wide range of pressures (approximately 10(exp -4) to 10(exp -11) bar) and temperatures (500-2800 K). The ability to selectively measure different vapor species makes KCMS a very powerful tool for the measurement of component activities in metallic and ceramic solutions. Today several groups are applying KCMS to measure thermodynamic functions in multicomponent metallic and ceramic systems. Thermodynamic functions, especially component activities, are extremely important in the development of CALPHAD (Calculation of Phase Diagrams) type thermodynamic descriptions. These descriptions, in turn, are useful for modeling materials processing and predicting reactions such as oxide formation and fiber/matrix interactions. The leading experimental methods for measuring activities are the Galvanic cell or electro-motive force (EMF) technique and the KCMS technique. Each has specific advantages, depending on material and conditions. The EMF technique is suitable for lower temperature measurements, provided a suitable cell can be constructed. KCMS is useful for higher temperature measurements in a system with volatile components. In this paper, we briefly review the KCMS technique and identify the major experimental issues that must be addressed for precise measurements. These issues include temperature measurements, cell material and cell design and absolute pressure calibration. The resolution of these issues are discussed together with some recent examples of measured thermodynamic data.

Thin film deposition using rarefied gas jet

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2017-01-01

The rarefied gas jet of aluminium is studied at Mach number Ma =(U_j /√{ kbTj / m }) in the range .01

Discrete unified gas kinetic scheme for all Knudsen number flows. III. Binary gas mixtures of Maxwell molecules

NASA Astrophysics Data System (ADS)

Zhang, Yue; Zhu, Lianhua; Wang, Ruijie; Guo, Zhaoli

2018-05-01

Recently a discrete unified gas kinetic scheme (DUGKS) in a finite-volume formulation based on the Boltzmann model equation has been developed for gas flows in all flow regimes. The original DUGKS is designed for flows of single-species gases. In this work, we extend the DUGKS to flows of binary gas mixtures of Maxwell molecules based on the Andries-Aoki-Perthame kinetic model [P. Andries et al., J. Stat. Phys. 106, 993 (2002), 10.1023/A:1014033703134. A particular feature of the method is that the flux at each cell interface is evaluated based on the characteristic solution of the kinetic equation itself; thus the numerical dissipation is low in comparison with that using direct reconstruction. Furthermore, the implicit treatment of the collision term enables the time step to be free from the restriction of the relaxation time. Unlike the DUGKS for single-species flows, a nonlinear system must be solved to determine the interaction parameters appearing in the equilibrium distribution function, which can be obtained analytically for Maxwell molecules. Several tests are performed to validate the scheme, including the shock structure problem under different Mach numbers and molar concentrations, the channel flow driven by a small gradient of pressure, temperature, or concentration, the plane Couette flow, and the shear driven cavity flow under different mass ratios and molar concentrations. The results are compared with those from other reliable numerical methods. The results show that the proposed scheme is an effective and reliable method for binary gas mixtures in all flow regimes.

Convective heat transfer for a gaseous slip flow in micropipe and parallel-plate microchannel with uniform wall heat flux: effect of axial heat conduction

NASA Astrophysics Data System (ADS)

Haddout, Y.; Essaghir, E.; Oubarra, A.; Lahjomri, J.

2017-12-01

Thermally developing laminar slip flow through a micropipe and a parallel plate microchannel, with axial heat conduction and uniform wall heat flux, is studied analytically by using a powerful method of self-adjoint formalism. This method results from a decomposition of the elliptic energy equation into a system of two first-order partial differential equations. The advantage of this method over other methods, resides in the fact that the decomposition procedure leads to a selfadjoint problem although the initial problem is apparently not a self-adjoint one. The solution is an extension of prior studies and considers a first order slip model boundary conditions at the fluid-wall interface. The analytical expressions for the developing temperature and local Nusselt number in the thermal entrance region are obtained in the general case. Therefore, the solution obtained could be extended easily to any hydrodynamically developed flow and arbitrary heat flux distribution. The analytical results obtained are compared for select simplified cases with available numerical calculations and they both agree. The results show that the heat transfer characteristics of flow in the thermal entrance region are strongly influenced by the axial heat conduction and rarefaction effects which are respectively characterized by Péclet and Knudsen numbers.

Convective heat transfer for a gaseous slip flow in micropipe and parallel-plate microchannel with uniform wall heat flux: effect of axial heat conduction

NASA Astrophysics Data System (ADS)

Haddout, Y.; Essaghir, E.; Oubarra, A.; Lahjomri, J.

2018-06-01

Thermally developing laminar slip flow through a micropipe and a parallel plate microchannel, with axial heat conduction and uniform wall heat flux, is studied analytically by using a powerful method of self-adjoint formalism. This method results from a decomposition of the elliptic energy equation into a system of two first-order partial differential equations. The advantage of this method over other methods, resides in the fact that the decomposition procedure leads to a selfadjoint problem although the initial problem is apparently not a self-adjoint one. The solution is an extension of prior studies and considers a first order slip model boundary conditions at the fluid-wall interface. The analytical expressions for the developing temperature and local Nusselt number in the thermal entrance region are obtained in the general case. Therefore, the solution obtained could be extended easily to any hydrodynamically developed flow and arbitrary heat flux distribution. The analytical results obtained are compared for select simplified cases with available numerical calculations and they both agree. The results show that the heat transfer characteristics of flow in the thermal entrance region are strongly influenced by the axial heat conduction and rarefaction effects which are respectively characterized by Péclet and Knudsen numbers.

A Comprehensive Model for Real Gas Transport in Shale Formations with Complex Non-planar Fracture Networks

PubMed Central

Yang, Ruiyue; Huang, Zhongwei; Yu, Wei; Li, Gensheng; Ren, Wenxi; Zuo, Lihua; Tan, Xiaosi; Sepehrnoori, Kamy; Tian, Shouceng; Sheng, Mao

2016-01-01

A complex fracture network is generally generated during the hydraulic fracturing treatment in shale gas reservoirs. Numerous efforts have been made to model the flow behavior of such fracture networks. However, it is still challenging to predict the impacts of various gas transport mechanisms on well performance with arbitrary fracture geometry in a computationally efficient manner. We develop a robust and comprehensive model for real gas transport in shales with complex non-planar fracture network. Contributions of gas transport mechanisms and fracture complexity to well productivity and rate transient behavior are systematically analyzed. The major findings are: simple planar fracture can overestimate gas production than non-planar fracture due to less fracture interference. A “hump” that occurs in the transition period and formation linear flow with a slope less than 1/2 can infer the appearance of natural fractures. The sharpness of the “hump” can indicate the complexity and irregularity of the fracture networks. Gas flow mechanisms can extend the transition flow period. The gas desorption could make the “hump” more profound. The Knudsen diffusion and slippage effect play a dominant role in the later production time. Maximizing the fracture complexity through generating large connected networks is an effective way to increase shale gas production. PMID:27819349

A Comprehensive Model for Real Gas Transport in Shale Formations with Complex Non-planar Fracture Networks.

PubMed

Yang, Ruiyue; Huang, Zhongwei; Yu, Wei; Li, Gensheng; Ren, Wenxi; Zuo, Lihua; Tan, Xiaosi; Sepehrnoori, Kamy; Tian, Shouceng; Sheng, Mao

2016-11-07

A complex fracture network is generally generated during the hydraulic fracturing treatment in shale gas reservoirs. Numerous efforts have been made to model the flow behavior of such fracture networks. However, it is still challenging to predict the impacts of various gas transport mechanisms on well performance with arbitrary fracture geometry in a computationally efficient manner. We develop a robust and comprehensive model for real gas transport in shales with complex non-planar fracture network. Contributions of gas transport mechanisms and fracture complexity to well productivity and rate transient behavior are systematically analyzed. The major findings are: simple planar fracture can overestimate gas production than non-planar fracture due to less fracture interference. A "hump" that occurs in the transition period and formation linear flow with a slope less than 1/2 can infer the appearance of natural fractures. The sharpness of the "hump" can indicate the complexity and irregularity of the fracture networks. Gas flow mechanisms can extend the transition flow period. The gas desorption could make the "hump" more profound. The Knudsen diffusion and slippage effect play a dominant role in the later production time. Maximizing the fracture complexity through generating large connected networks is an effective way to increase shale gas production.

Gas-kinetic unified algorithm for hypersonic flows covering various flow regimes solving Boltzmann model equation in nonequilibrium effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zhihui; Ma, Qiang; Wu, Junlin

2014-12-09

Based on the Gas-Kinetic Unified Algorithm (GKUA) directly solving the Boltzmann model equation, the effect of rotational non-equilibrium is investigated recurring to the kinetic Rykov model with relaxation property of rotational degrees of freedom. The spin movement of diatomic molecule is described by moment of inertia, and the conservation of total angle momentum is taken as a new Boltzmann collision invariant. The molecular velocity distribution function is integrated by the weight factor on the internal energy, and the closed system of two kinetic controlling equations is obtained with inelastic and elastic collisions. The optimization selection technique of discrete velocity ordinatemore » points and numerical quadrature rules for macroscopic flow variables with dynamic updating evolvement are developed to simulate hypersonic flows, and the gas-kinetic numerical scheme is constructed to capture the time evolution of the discretized velocity distribution functions. The gas-kinetic boundary conditions in thermodynamic non-equilibrium and numerical procedures are studied and implemented by directly acting on the velocity distribution function, and then the unified algorithm of Boltzmann model equation involving non-equilibrium effect is presented for the whole range of flow regimes. The hypersonic flows involving non-equilibrium effect are numerically simulated including the inner flows of shock wave structures in nitrogen with different Mach numbers of 1.5-Ma-25, the planar ramp flow with the whole range of Knudsen numbers of 0.0009-Kn-10 and the three-dimensional re-entering flows around tine double-cone body.« less

Numerical Simulation of Multiphase Flow in Nanoporous Organic Matter With Application to Coal and Gas Shale Systems

NASA Astrophysics Data System (ADS)

Song, Wenhui; Yao, Jun; Ma, Jingsheng; Sun, Hai; Li, Yang; Yang, Yongfei; Zhang, Lei

2018-02-01

Fluid flow in nanoscale organic pores is known to be affected by fluid transport mechanisms and properties within confined pore space. The flow of gas and water shows notably different characteristics compared with conventional continuum modeling approach. A pore network flow model is developed and implemented in this work. A 3-D organic pore network model is constructed from 3-D image that is reconstructed from 2-D shale SEM image of organic-rich sample. The 3-D pore network model is assumed to be gas-wet and to contain initially gas-filled pores only, and the flow model is concerned with drainage process. Gas flow considers a full range of gas transport mechanisms, including viscous flow, Knudsen diffusion, surface diffusion, ad/desorption, and gas PVT and viscosity using a modified van der Waals' EoS and a correlation for natural gas, respectively. The influences of slip length, contact angle, and gas adsorption layer on water flow are considered. Surface tension considers the pore size and temperature effects. Invasion percolation is applied to calculate gas-water relative permeability. The results indicate that the influences of pore pressure and temperature on water phase relative permeabilities are negligible while gas phase relative permeabilities are relatively larger in higher temperatures and lower pore pressures. Gas phase relative permeability increases while water phase relative permeability decreases with the shrinkage of pore size. This can be attributed to the fact that gas adsorption layer decreases the effective flow area of the water phase and surface diffusion capacity for adsorbed gas is enhanced in small pore size.

Sound wave resonances in micro-electro-mechanical systems devices vibrating at high frequencies according to the kinetic theory of gases

NASA Astrophysics Data System (ADS)

Desvillettes, Laurent; Lorenzani, Silvia

2012-09-01

The mechanism leading to gas damping in micro-electro-mechanical systems (MEMS) devices vibrating at high frequencies is investigated by using the linearized Boltzmann equation based on simplified kinetic models and diffuse reflection boundary conditions. Above a certain frequency of oscillation, the sound waves propagating through the gas are trapped in the gaps between the moving elements and the fixed boundaries of the microdevice. In particular, we found a scaling law, valid for all Knudsen numbers Kn (defined as the ratio between the gas mean free path and a characteristic length of the gas flow), that predicts a resonant response of the system. This response enables a minimization of the damping force exerted by the gas on the oscillating wall of the microdevice.

Flutter instability of cantilevered carbon nanotubes caused by magnetic fluid flow subjected to a longitudinal magnetic field

NASA Astrophysics Data System (ADS)

Sadeghi-Goughari, Moslem; Jeon, Soo; Kwon, Hyock-Ju

2018-04-01

CNT (Carbon nanotube)-based fluidic systems hold a great potential for emerging medical applications such as drug delivery for cancer therapy. CNTs can be used to deliver anticancer drugs into a target site under a magnetic field guidance. One of the critical issues in designing such systems is how to avoid the vibration induced by the fluid flow, which is undesirable and may even promote the structural instability. The main objective of the present research is to develop a fluid structure interaction (FSI) model to investigate the flutter instability of a cantilevered CNT induced by a magnetic fluid flow under a longitudinal magnetic field. The CNT is assumed to be embedded in a viscoelastic matrix to consider the effect of biological medium around it. To obtain a dynamical model for the system, the Navier-Stokes theory of magnetic-fluid flow is coupled to the Euler-Bernoulli beam model for CNT. The small size effects of the magnetic fluid and CNT are considered through the small scale parameters including Knudsen number (Kn) and the nonlocal parameter. Then, the extended Galerkin's method is applied to solve the FSI governing equations, and to derive the stability diagrams of the system. Results show how the magnetic properties of the fluid flow have an effect on improving the stability of the cantilevered CNT by increasing the flutter velocity.

Gaseous slip flow analysis of a micromachined flow sensor for ultra small flow applications

NASA Astrophysics Data System (ADS)

Jang, Jaesung; Wereley, Steven T.

2007-02-01

The velocity slip of a fluid at a wall is one of the most typical phenomena in microscale gas flows. This paper presents a flow analysis considering the velocity slip in a capacitive micro gas flow sensor based on pressure difference measurements along a microchannel. The tangential momentum accommodation coefficient (TMAC) measurements of a particular channel wall in planar microchannels will be presented while the previous micro gas flow studies have been based on the same TMACs on both walls. The sensors consist of a pair of capacitive pressure sensors, inlet/outlet and a microchannel. The main microchannel is 128.0 µm wide, 4.64 µm deep and 5680 µm long, and operated under nearly atmospheric conditions where the outlet Knudsen number is 0.0137. The sensor was fabricated using silicon wet etching, ultrasonic drilling, deep reactive ion etching (DRIE) and anodic bonding. The capacitance change of the sensor and the mass flow rate of nitrogen were measured as the inlet-to-outlet pressure ratio was varied from 1.00 to 1.24. The measured maximum mass flow rate was 3.86 × 10-10 kg s-1 (0.019 sccm) at the highest pressure ratio tested. As the pressure difference increased, both the capacitance of the differential pressure sensor and the flow rate through the main microchannel increased. The laminar friction constant f sdot Re, an important consideration in sensor design, varied from the incompressible no-slip case and the mass sensitivity and resolution of this sensor were discussed. Using the current slip flow formulae, a microchannel with much smaller mass flow rates can be designed at the same pressure ratios.

Spin-Swapping Transport and Torques in Ultrathin Magnetic Bilayers

NASA Astrophysics Data System (ADS)

Saidaoui, Hamed Ben Mohamed; Manchon, A.

2016-07-01

Planar spin transport in disordered ultrathin magnetic bilayers comprising a ferromagnet and a normal metal (typically used for spin pumping, spin Seebeck and spin-orbit torque experiments) is investigated theoretically. Using a tight-binding model that puts the extrinsic spin Hall effect and spin swapping on equal footing, we show that the nature of spin-orbit coupled transport dramatically depends on the ratio between the layer thickness d and the mean free path λ . While the spin Hall effect dominates in the diffusive limit (d ≫λ ), spin swapping dominates in the Knudsen regime (d ≲λ ). A remarkable consequence is that spin swapping induces a substantial fieldlike torque in the Knudsen regime.

Measuring Thermodynamic Properties of Metals and Alloys With Knudsen Effusion Mass Spectrometry

NASA Technical Reports Server (NTRS)

Copland, Evan H.; Jacobson, Nathan S.

2010-01-01

This report reviews Knudsen effusion mass spectrometry (KEMS) as it relates to thermodynamic measurements of metals and alloys. First, general aspects are reviewed, with emphasis on the Knudsen-cell vapor source and molecular beam formation, and mass spectrometry issues germane to this type of instrument are discussed briefly. The relationship between the vapor pressure inside the effusion cell and the measured ion intensity is the key to KEMS and is derived in detail. Then common methods used to determine thermodynamic quantities with KEMS are discussed. Enthalpies of vaporization, the fundamental measurement, are determined from the variation of relative partial pressure with temperature using the second-law method or by calculating a free energy of formation and subtracting the entropy contribution using the third-law method. For single-cell KEMS instruments, measurements can be used to determine the partial Gibbs free energy if the sensitivity factor remains constant over multiple experiments. The ion-current ratio method and dimer-monomer method are also viable in some systems. For a multiple-cell KEMS instrument, activities are obtained by direct comparison with a suitable component reference state or a secondary standard. Internal checks for correct instrument operation and general procedural guidelines also are discussed. Finally, general comments are made about future directions in measuring alloy thermodynamics with KEMS.

Knudsen temperature jump and the Navier-Stokes hydrodynamics of granular gases driven by thermal walls.

PubMed

Khain, Evgeniy; Meerson, Baruch; Sasorov, Pavel V

2008-10-01

Thermal wall is a convenient idealization of a rapidly vibrating plate used for vibrofluidization of granular materials. The objective of this work is to incorporate the Knudsen temperature jump at thermal wall in the Navier-Stokes hydrodynamic modeling of dilute granular gases of monodisperse particles that collide nearly elastically. The Knudsen temperature jump manifests itself as an additional term, proportional to the temperature gradient, in the boundary condition for the temperature. Up to a numerical prefactor O(1) , this term is known from kinetic theory of elastic gases. We determine the previously unknown numerical prefactor by measuring, in a series of molecular dynamics (MD) simulations, steady-state temperature profiles of a gas of elastically colliding hard disks, confined between two thermal walls kept at different temperatures, and comparing the results with the predictions of a hydrodynamic calculation employing the modified boundary condition. The modified boundary condition is then applied, without any adjustable parameters, to a hydrodynamic calculation of the temperature profile of a gas of inelastic hard disks driven by a thermal wall. We find the hydrodynamic prediction to be in very good agreement with MD simulations of the same system. The results of this work pave the way to a more accurate hydrodynamic modeling of driven granular gases.

Numerical analysis of flows of rarefied gases in long channels with octagonal cross section shapes

NASA Astrophysics Data System (ADS)

Szalmas, L.

2014-12-01

Isothermal, pressure driven rarefied gas flows through long channels with octagonal cross section shapes are analyzed computationally. The capillary is between inlet and outlet reservoirs. The cross section is constant along the axial direction. The boundary condition at the solid-gas interface is assumed to be diffuse reflection. Since the channel is long, the gaseous velocity is small compared to the average molecular speed. Consequently, a linearized description can be used. The flow is described by the linearized Bhatnagar-Gross-Krook kinetic model. The solution of the problem is divided into two stages. First, the local flow field is determined by assuming the local pressure gradient. Secondly, the global flow behavior is deduced by the consideration of the conservation of the mass along the axis of the capillary. The kinetic equation is solved by the discrete velocity method on the cross section. Both spatial and velocity spaces are discretized. A body fitted rectangular grid is used for the spatial space. Near the boundary, first-order, while in the interior part of the flow domain, second-order finite-differences are applied to approximate the spatial derivatives. This combination results into an efficient and straightforward numerical treatment. The velocity space is represented by a Gauss-Legendre quadrature. The kinetic equation is solved in an iterative manner. The local dimensionless flow rate is calculated and tabulated for a wide range of the gaseous rarefaction for octagonal cross sections with various geometrical parameters. It exhibits the Knudsen minimum phenomenon. The flow rates in the octagonal channel are compared to those through capillaries with circular and square cross sections. Typical velocity profiles are also shown. The mass flow rate and the distribution of the pressure are determined and presented for global pressure driven flows.

Investigation of the vaporization of boric acid by transpiration thermogravimetry and knudsen effusion mass spectrometry.

PubMed

Balasubramanian, R; Lakshmi Narasimhan, T S; Viswanathan, R; Nalini, S

2008-11-06

The vaporization of H3BO3(s) was studied by using a commercial thermogravimetric apparatus and a Knudsen effusion mass spectrometer. The thermogravimetric measurements involved use of argon as the carrier gas for vapor transport and derivation of vapor pressures of H3BO3(g) in the temperature range 315-352 K through many flow dependence and temperature dependence runs. The vapor pressures as well as the enthalpy of sublimation obtained in this study represent the first results from measurements at low temperatures that are in accord with the previously reported near-classical transpiration measurements (by Stackelberg et al. 70 years ago) at higher temperatures (382-413 K with steam as the carrier gas). The KEMS measurements performed for the first time on boric acid showed H3BO3(g) as the principal vapor species with no meaningful information discernible on H2O(g) though. The thermodynamic parameters, both p(H3BO3) and Delta sub H degrees m(H3BO3,g), deduced from KEMS results in the temperature range 295-342 K are in excellent agreement with the transpiration results lending further credibility to the latter. All this information points toward congruent vaporization at the H3BO3 composition in the H2O-B2O3 binary system. The vapor pressures obtained from transpiration (this study and that of Stackelberg et al.) as well as from KEMS measurements are combined to recommend the following: log [p(H3BO3)/Pa]=-(5199+/-74)/(T/K)+(15.65+/-0.23), valid for T=295-413 K; and Delta sub H degrees m=98.3+/-9.5 kJ mol (-1) at T=298 K for H3BO3(s)=H3BO3(g).

Direct Simulation Monte Carlo Investigation of Noncontinuum Couette Flow

NASA Astrophysics Data System (ADS)

Torczynski, J. R.; Gallis, M. A.

2009-11-01

The Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics is used to study noncontinuum effects in Couette flow. The walls have equal temperatures and equal accommodation coefficients but unequal tangential velocities. Simulations are performed for near-free-molecular to near-continuum gas pressures with accommodation coefficients of 0.25, 0.5, and 1. Ten gases are examined: argon, helium, nitrogen, sea-level air, and six Inverse-Power-Law (IPL) gases with viscosity temperature exponents of 0.5, 0.6, 0.7, 0.8, 0.9, and 1.0, as represented by the Variable Soft Sphere (VSS) interaction. In all cases, the wall shear stress is proportional to the slip velocity. The momentum transfer coefficient relating these two quantities can be accurately correlated in terms of the Knudsen number based on the wall separation. The two dimensionless parameters in the correlation are similar for all gases examined. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Slippage and boundary layer probed in an almost ideal gas by a nanomechanical oscillator.

PubMed

Defoort, M; Lulla, K J; Crozes, T; Maillet, O; Bourgeois, O; Collin, E

2014-09-26

We measure the interaction between ⁴He gas at 4.2 K and a high-quality nanoelectromechanical string device for its first three symmetric modes (resonating at 2.2, 6.7, and 11 MHz with quality factor Q>0.1×10⁶) over almost 6 orders of magnitude in pressure. This fluid can be viewed as the best experimental implementation of an almost ideal monoatomic and inert gas of which properties are tabulated. The experiment ranges from high pressure where the flow is of laminar Stokes-type presenting slippage down to very low pressures where the flow is molecular. In the molecular regime, when the mean-free path is of the order of the distance between the suspended nanomechanical probe and the bottom of the trench, we resolve for the first time the signature of the boundary (Knudsen) layer onto the measured dissipation. Our results are discussed in the framework of the most recent theories investigating boundary effects in fluids (both analytic approaches and direct simulation Monte Carlo methods).

Thermodynamic Studies of High Temperature Materials Via Knudsen Cell Mass Spectrometry

NASA Technical Reports Server (NTRS)

Jacobson, Nathan S.; Brady, Michael P.

1997-01-01

The Knudsen Cell technique is a classic technique from high temperature chemistry for studying condensed phase/vapor equilibria. It is based on a small enclosure, usually about 1 cm in diameter by 1 cm high, with an orifice of well-defined geometry. This forms a molecular beam which is analyzed with mass spectrometry. There are many applications to both fundamental and applied problems with high temperature materials. Specific measurements include vapor pressures and vapor compositions above solids, activities of alloy components, and fundamental gas/solid reactions. The basic system is shown. Our system can accommodate a wide range of samples, temperatures, and attachments, such as gas inlets. It is one of only about ten such systems world-wide.

Slip Correction Measurements of Certified PSL Nanoparticles Using a Nanometer Differential Mobility Analyzer (Nano-DMA) for Knudsen Number From 0.5 to 83

PubMed Central

Kim, Jung Hyeun; Mulholland, George W.; Kukuck, Scott R.; Pui, David Y. H.

2005-01-01

The slip correction factor has been investigated at reduced pressures and high Knudsen number using polystyrene latex (PSL) particles. Nano-differential mobility analyzers (NDMA) were used in determining the slip correction factor by measuring the electrical mobility of 100.7 nm, 269 nm, and 19.90 nm particles as a function of pressure. The aerosol was generated via electrospray to avoid multiplets for the 19.90 nm particles and to reduce the contaminant residue on the particle surface. System pressure was varied down to 8.27 kPa, enabling slip correction measurements for Knudsen numbers as large as 83. A condensation particle counter was modified for low pressure application. The slip correction factor obtained for the three particle sizes is fitted well by the equation: C = 1 + Kn (α + β exp(−γ/Kn)), with α = 1.165, β = 0.483, and γ = 0.997. The first quantitative uncertainty analysis for slip correction measurements was carried out. The expanded relative uncertainty (95 % confidence interval) in measuring slip correction factor was about 2 % for the 100.7 nm SRM particles, about 3 % for the 19.90 nm PSL particles, and about 2.5 % for the 269 nm SRM particles. The major sources of uncertainty are the diameter of particles, the geometric constant associated with NDMA, and the voltage. PMID:27308102

An efficient direct solver for rarefied gas flows with arbitrary statistics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Diaz, Manuel A., E-mail: f99543083@ntu.edu.tw; Yang, Jaw-Yen, E-mail: yangjy@iam.ntu.edu.tw; Center of Advanced Study in Theoretical Science, National Taiwan University, Taipei 10167, Taiwan

2016-01-15

A new numerical methodology associated with a unified treatment is presented to solve the Boltzmann–BGK equation of gas dynamics for the classical and quantum gases described by the Bose–Einstein and Fermi–Dirac statistics. Utilizing a class of globally-stiffly-accurate implicit–explicit Runge–Kutta scheme for the temporal evolution, associated with the discrete ordinate method for the quadratures in the momentum space and the weighted essentially non-oscillatory method for the spatial discretization, the proposed scheme is asymptotic-preserving and imposes no non-linear solver or requires the knowledge of fugacity and temperature to capture the flow structures in the hydrodynamic (Euler) limit. The proposed treatment overcomes themore » limitations found in the work by Yang and Muljadi (2011) [33] due to the non-linear nature of quantum relations, and can be applied in studying the dynamics of a gas with internal degrees of freedom with correct values of the ratio of specific heat for the flow regimes for all Knudsen numbers and energy wave lengths. The present methodology is numerically validated with the unified treatment by the one-dimensional shock tube problem and the two-dimensional Riemann problems for gases of arbitrary statistics. Descriptions of ideal quantum gases including rotational degrees of freedom have been successfully achieved under the proposed methodology.« less

Asymptotic modeling of flows of a mixture of two monoatomic gases in a coplanar microchannel

NASA Astrophysics Data System (ADS)

Gatignol, Renée; Croizet, Cédric

2016-11-01

Gas mixtures are present in a number of microsystems, such as heat exchangers, propulsion systems, and so on. This paper aims to describe some basic physical phenomena of flows of a mixture of two monoatomic gases in a coplanar microchannel. Gas flows are described by the Navier-Stokes-Fourier equations with coupling terms, and with first order boundary conditions for the velocities and the temperatures on the microchannel walls. With the small parameter equal to the ratio of the transverse and longitudinal lengths, an asymptotic model was presented at the 29th Symposium on Rarefied Gas Dynamics. It corresponds to a low Mach number and a low to moderate Knudsen number. First-order differential equations for mass, momentum and energy have been written. For each species, the pressure depends only on the longitudinal variable and the temperature is equal to the wall temperature (the two walls have the same temperature). Both pressures are solutions of ordinary differential equations. Results are given on the longitudinal profile of both pressures and on the longitudinal velocities, for different binary mixtures, and for the cases of isothermal and thermal regimes. Asymptotic solutions are compared to DSMC simulations in the same configuration: they are roughly in agreement.

Cross-terminator ion flow in the ionospheres of Mars and Venus

NASA Astrophysics Data System (ADS)

Fraenz, Markus; Dubinin, Eduard; Angsmann, Anne; Nielsen, Erling; Woch, Joachim; Barabash, Stas; Lundin, Rickard; Fedorov, A.

The upper ionospheres of Mars and Venus are permeated by the magnetic fields induced by the solar wind. It is a long-standing question wether these fields can put the dense ionospheric plasma into motion. If so, the cross-terminator flow of the upper ionosphere could explain a significant part of the ion escape from the planets atmospheres. But it has been technically very challenging to measure the ion flow at energies below 20eV. The only such measurements have been made by the ORPA instrument of the Pioneer Venus Orbiter reporting speeds of 1-5km/s for O+ ions at Venus above 300km altitude at the terminator (Knudsen et al, GRL 1982). At Venus the flow has been explained by the pressure gradient force between dayside and nightside. It can explain the ion supply to the nightside ionosphere. At Mars comparable measurements have never been made. We here report on new measurements of the cross-terminator ion flow at Mars by the ASPERA 3 experiment onboard Mars Express with support from the MARSIS radar experiment which confirm O+ flow speeds of around 6km/s with fluxes of 1.2 ∗ 109 /cm2 s. We also discuss the complicated influence of the spacecraft potential on low energy measurements. At Mars the nightside ionosphere is much weaker than on Venus and the escape velocity only 5km/s. This means that the observed flow leads to escape from the planet. We discuss the implication of these new observation on the total ion escape and possible extensions of the analysis to dayside observations which might allow us to infer the flow structure imposed by the induced magnetic field. We then discuss the observational situation at Venus where the ASPERA-4 instrument allows similar measurements.

Effects of gas reservoir configuration and pore radius on shale gas nanoflow: A molecular dynamics study.

PubMed

Tian, Huiquan; Guo, Guang-Jun; Geng, Ming; Zhang, Zhengcai; Zhang, Mingmin; Gao, Kai

2018-05-28

We calculated methane transport through cylindrical graphite nanopores in cyclical steady-state flows using non-equilibrium molecular dynamics simulations. First, two typical gas reservoir configurations were evaluated: open (OS) and closed (CS) systems in which pores connect to the gas reservoir without/with a graphite wall parallel to the gas flow. We found that the OS configuration, which is commonly used to study nanoflows, exhibited obvious size effects. Smaller gas reservoir cross-sectional areas were associated with faster gas flows. Because Knudsen diffusion and slip flow in pores are interrupted in a gas reservoir that does not have walls as constraints, OSs cannot be relied upon in cyclical nanoflow simulations. Although CSs eliminated size effects, they introduced surface roughness effects that stem from the junction surface between the gas reservoir and the pore. To obtain a convergent nanoflow, the length of a side of the gas reservoir cross-section should be at least 2 nm larger than the pore diameter. Second, we obtained methane flux data for various pore radii (0.5-2.5 nm) in CSs and found that they could be described accurately using the Javadpour formula. This is the first direct molecular simulation evidence to validate this formula. Finally, the radial density and flow-velocity distributions of methane in CS pores were analyzed in detail. We tested pores with a radius between 0.5 nm and 2.5 nm and determined that the maximum ratio (∼34%) of slip flow to overall flow occurred in the pore with a radius of 1.25 nm. This study will aid in the design of gas reservoir configurations for nanoflow simulations and is helpful in understanding shale gas nanoflows.

Effects of gas reservoir configuration and pore radius on shale gas nanoflow: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Tian, Huiquan; Guo, Guang-Jun; Geng, Ming; Zhang, Zhengcai; Zhang, Mingmin; Gao, Kai

2018-05-01

We calculated methane transport through cylindrical graphite nanopores in cyclical steady-state flows using non-equilibrium molecular dynamics simulations. First, two typical gas reservoir configurations were evaluated: open (OS) and closed (CS) systems in which pores connect to the gas reservoir without/with a graphite wall parallel to the gas flow. We found that the OS configuration, which is commonly used to study nanoflows, exhibited obvious size effects. Smaller gas reservoir cross-sectional areas were associated with faster gas flows. Because Knudsen diffusion and slip flow in pores are interrupted in a gas reservoir that does not have walls as constraints, OSs cannot be relied upon in cyclical nanoflow simulations. Although CSs eliminated size effects, they introduced surface roughness effects that stem from the junction surface between the gas reservoir and the pore. To obtain a convergent nanoflow, the length of a side of the gas reservoir cross-section should be at least 2 nm larger than the pore diameter. Second, we obtained methane flux data for various pore radii (0.5-2.5 nm) in CSs and found that they could be described accurately using the Javadpour formula. This is the first direct molecular simulation evidence to validate this formula. Finally, the radial density and flow-velocity distributions of methane in CS pores were analyzed in detail. We tested pores with a radius between 0.5 nm and 2.5 nm and determined that the maximum ratio (˜34%) of slip flow to overall flow occurred in the pore with a radius of 1.25 nm. This study will aid in the design of gas reservoir configurations for nanoflow simulations and is helpful in understanding shale gas nanoflows.

Enhanced vapor transport in membrane distillation via functionalized carbon nanotubes anchored into electrospun nanofibres

PubMed Central

Kyoungjin An, Alicia; Lee, Eui-Jong; Guo, Jiaxin; Jeong, Sanghyun; Lee, Jung-Gil; Ghaffour, Noreddine

2017-01-01

To ascertain membrane distillation (MD) as an emerging desalination technology to meet the global water challenge, development of membranes with ideal material properties is crucial. Functionalized carbon nanotubes (CNTs) were anchored to nanofibres of electrospun membranes. Covalent modification and fluorination of CNTs improved their dispersibility and interfacial interaction with the polymer membrane, resulting in well-aligned CNTs inside crystalline fibres with superhydrophobicity. Consideration for the chemical/physical properties of the CNT composite membranes and calculation of their theoretical fluxes revealed the mechanism of MD: CNTs facilitated the repulsive force for Knudsen and molecular diffusions, reduced the boundary-layer effect in viscous flow, and assisted surface diffusion, allowing for fast vapor transport with anti-wetting. This study shows that the role of CNTs and an optimal composite ratio can be used to reduce the gap between theoretical and experimental approaches to desalination. PMID:28134288

Heterogeneous interactions of chlorine nitrate, hydrogen chloride, and nitric acid with sulfuric acid surfaces at stratospheric temperatures

NASA Technical Reports Server (NTRS)

Tolbert, Margaret A.; Rossi, Michel J.; Golden, David M.

1988-01-01

The heterogeneous interactions of ClONO2, HCl, and HNO3 with sulfuric acid surfaces were studied using a Knudsen cell flow reactor. The surfaces studied, chosen to simulate global stratospheric particulate, were composed of 65-75 percent H2SO4 solutions at temperatures in the range -63 to -43 C. Heterogeneous loss, but not reaction, of HNO3 and HCl occurred on these surfaces; the measured sticking coefficients are reported. Chlorine nitrate reacted on the cold sulfuric acid surfaces, producing gas-phase HOCl and condensed HNO3. CLONO2 also reacted with HCl dissolved in the 65-percent H2SO4 solution at -63 C, forming gaseous Cl2. In all cases studied, the sticking and/or reaction coefficients were much larger for the 65-percent H2SO4 solution at -63 C than for the 75-percent solution at -43 C.

The collapse of the local, Spitzer-Haerm formulation and a global-local generalization for heat flow in an inhomogeneous, fully ionized plasma

NASA Technical Reports Server (NTRS)

Scudder, J. D.; Olbert, S.

1983-01-01

The breakdown of the classical (CBES) field aligned transport relations for electrons in an inhomogeneous, fully ionized plasma as a mathematical issue of radius of convergence is addressed, the finite Knudsen number conditions when CBES results are accurate is presented and a global-local (GL) way to describe the results of Coulomb physics moderated conduction that is more nearly appropriate for astrophysical plasmas are defined. This paper shows the relationship to and points of departure of the present work from the CBES approach. The CBES heat law in current use is shown to be an especially restrictive special case of the new, more general GL result. A preliminary evaluation of the dimensionless heat function, using analytic formulas, shows that the dimensionless heat function profiles versus density of the type necessary for a conduction supported high speed solar wind appear possible.

Enhanced vapor transport in membrane distillation via functionalized carbon nanotubes anchored into electrospun nanofibres

NASA Astrophysics Data System (ADS)

Kyoungjin An, Alicia; Lee, Eui-Jong; Guo, Jiaxin; Jeong, Sanghyun; Lee, Jung-Gil; Ghaffour, Noreddine

2017-01-01

To ascertain membrane distillation (MD) as an emerging desalination technology to meet the global water challenge, development of membranes with ideal material properties is crucial. Functionalized carbon nanotubes (CNTs) were anchored to nanofibres of electrospun membranes. Covalent modification and fluorination of CNTs improved their dispersibility and interfacial interaction with the polymer membrane, resulting in well-aligned CNTs inside crystalline fibres with superhydrophobicity. Consideration for the chemical/physical properties of the CNT composite membranes and calculation of their theoretical fluxes revealed the mechanism of MD: CNTs facilitated the repulsive force for Knudsen and molecular diffusions, reduced the boundary-layer effect in viscous flow, and assisted surface diffusion, allowing for fast vapor transport with anti-wetting. This study shows that the role of CNTs and an optimal composite ratio can be used to reduce the gap between theoretical and experimental approaches to desalination.

The physics of confined flow and its application to water leaks, water permeation and water nanoflows: a review.

PubMed

Lei, Wenwen; Rigozzi, Michelle K; McKenzie, David R

2016-02-01

This review assesses the current state of understanding of the calculation of the rate of flow of gases, vapours and liquids confined in channels, in porous media and in permeable materials with an emphasis on the flow of water and its vapour. One motivation is to investigate the relation between the permeation rate of moisture and that of a noncondensable test gas such as helium, another is to assist in unifying theory and experiment across disparate fields. Available theories of single component ideal gas flows in channels of defined geometry (cylindrical, rectangular and elliptical) are described and their predictions compared with measurement over a wide range of conditions defined by the Knudsen number. Theory for two phase flows is assembled in order to understand the behaviour of four standard water leak configurations: vapour, slug, Washburn and liquid flow, distinguished by the number and location of phase boundaries (menisci). Air may or may not be present as a background gas. Slip length is an important parameter that greatly affects leak rates. Measurements of water vapour flows confirm that water vapour shows ideal gas behaviour. Results on carbon nanotubes show that smooth walls may lead to anomalously high slip lengths arising from the properties of 'confined' water. In porous media, behaviour can be matched to the four standard leaks. Traditional membrane permeation models consider that the permeant dissolves, diffuses and evaporates at the outlet side, ideas we align with those from channel flow. Recent results on graphite oxide membranes show examples where helium which does not permeate while at the same time moisture is almost unimpeded, again a result of confined water. We conclude that while there is no a priori relation between a noncondensable gas flow and a moisture flow, measurements using helium will give results within two orders of magnitude of the moisture flow rate, except in the case where there is anomalous slip or confined water, when moisture specific measurements are essential.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kagan, D. N., E-mail: d.n.kagan@mtu-net.ru; Krechetova, G. A.; Shpil'rain, E. E.

A detailed procedural analysis is given and results of implementation of the new version of the effusion method for determining the Gibbs energy (thermodynamic activity) of binary and ternary systems of alkali metals Cs-Na, K-Na, Cs-K, and Cs-K-Na are presented. The activity is determined using partial pressures of the components measured according the effusion method by the intensity of their atomic beams. The pressure range used in the experiment is intermediate between the Knudsen and hydrodynamic effusion modes. A generalized version of the effusion method involves the pressure range beyond the limits of the applicability of the Hertz-Knudsen equation. Employmentmore » of this method provides the differential equation of chemical thermodynamics; solution of this equation makes it possible to construct the Gibbs energy in the range of temperatures 400 {<=} T {<=} 1200 K and concentrations 0 {<=} x{sub i} {<=} 1.« less

Effective gaseous diffusion coefficients of select ultra-fine, super-fine and medium grain nuclear graphite

DOE PAGES

Kane, Joshua J.; Matthews, Austin C.; Orme, Christopher J.; ...

2018-05-05

Understanding “Where?” and “How much?” oxidation has occurred in a nuclear graphite component is critical to predicting any deleterious effects to physical, mechanical, and thermal properties. A key factor in answering these questions is characterizing the effective mass transport rates of gas species in nuclear graphites. Effective gas diffusion coefficients were determined for twenty-six graphite specimens spanning six modern grades of nuclear graphite. A correlation was established for the majority of grades examined allowing a reasonable estimate of the effective diffusion coefficient to be determined purely from an estimate of total porosity. The importance of Knudsen diffusion to the measuredmore » diffusion coefficients is also shown for modern grades. Furthermore, Knudsen diffusion has not historically been considered to contribute to measured diffusion coefficients of nuclear graphite.« less

Effective gaseous diffusion coefficients of select ultra-fine, super-fine and medium grain nuclear graphite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kane, Joshua J.; Matthews, Austin C.; Orme, Christopher J.

Understanding “Where?” and “How much?” oxidation has occurred in a nuclear graphite component is critical to predicting any deleterious effects to physical, mechanical, and thermal properties. A key factor in answering these questions is characterizing the effective mass transport rates of gas species in nuclear graphites. Effective gas diffusion coefficients were determined for twenty-six graphite specimens spanning six modern grades of nuclear graphite. A correlation was established for the majority of grades examined allowing a reasonable estimate of the effective diffusion coefficient to be determined purely from an estimate of total porosity. The importance of Knudsen diffusion to the measuredmore » diffusion coefficients is also shown for modern grades. Furthermore, Knudsen diffusion has not historically been considered to contribute to measured diffusion coefficients of nuclear graphite.« less

Multiscale Modeling of Ablation and Pyrolysis in PICA-Like materials

NASA Technical Reports Server (NTRS)

Lachaud, Jean; Mansour, Nagi N.

2008-01-01

During atmospheric entry of planetary probes, the thermal protection system (TIPS) of the probe is exposed to high temperatures under low pressures. In these conditions, carbonous fibrous TIPS materials may undergo oxidation leading to mass loss and wall recession called ablation. This work aims to improve the understanding of material/environment interactions through a study of the coupling between oxygen transport in the Knudsen regime, heterogeneous oxidation of carbon, and surface recession. A 3D Random Walk Monte Carlo simulation tool is used for this study. The fibrous architecture of a model material, consisting of high porosity random array of carbon fibers, is numerically represented on a 3D Cartesian grid. Mass transport in the Knudsen regime from the boundary layer to the surface, and inside this porous material is simulated by random walk. A reaction probability is used to simulate the heterogeneous oxidation reaction. The surface recession of the fibers is followed by front tracking using a simplified marching cube approach. The output data of the simulations are ablation velocity and dynamic evolution of the material porosity. A parametric study is carried out to analyze the material behavior as a function of Knudsen number for the porous media (length of the mean free path compared to the mean pore diameter) and the intrinsic reactivity of the carbon fibers. The model is applied to Stardust mission reentry conditions and explains the unexpected behavior of the TIPS material that underwent mass loss in volume.

The three-zone composite productivity model for a multi-fractured horizontal shale gas well

NASA Astrophysics Data System (ADS)

Qi, Qian; Zhu, Weiyao

2018-02-01

Due to the nano-micro pore structures and the massive multi-stage multi-cluster hydraulic fracturing in shale gas reservoirs, the multi-scale seepage flows are much more complicated than in most other conventional reservoirs, and are crucial for the economic development of shale gas. In this study, a new multi-scale non-linear flow model was established and simplified, based on different diffusion and slip correction coefficients. Due to the fact that different flow laws existed between the fracture network and matrix zone, a three-zone composite model was proposed. Then, according to the conformal transformation combined with the law of equivalent percolation resistance, the productivity equation of a horizontal fractured well, with consideration given to diffusion, slip, desorption, and absorption, was built. Also, an analytic solution was derived, and the interference of the multi-cluster fractures was analyzed. The results indicated that the diffusion of the shale gas was mainly in the transition and Fick diffusion regions. The matrix permeability was found to be influenced by slippage and diffusion, which was determined by the pore pressure and diameter according to the Knudsen number. It was determined that, with the increased half-lengths of the fracture clusters, flow conductivity of the fractures, and permeability of the fracture network, the productivity of the fractured well also increased. Meanwhile, with the increased number of fractures, the distance between the fractures decreased, and the productivity slowly increased due to the mutual interfere of the fractures.

In-Plane Channel-Structured Catalyst Layer for Polymer Electrolyte Membrane Fuel Cells.

PubMed

Lee, Dong-Hyun; Jo, Wonhee; Yuk, Seongmin; Choi, Jaeho; Choi, Sungyu; Doo, Gisu; Lee, Dong Wook; Kim, Hee-Tak

2018-02-07

In this study, we present a novel catalyst layer (CL) with in-plane flow channels to enhance the mass transports in polymer electrolyte membrane fuel cells. The CL with in-plane channels on its surface is fabricated by coating a CL slurry onto a surface-treated substrate with the inverse line pattern and transferring the dried CL from the substrate to a membrane. The membrane electrode assembly with the in-plane channel-patterned CL has superior power performances in high current densities compared with an unpatterned, flat CL, demonstrating a significant enhancement of the mass-transport property by the in-plane channels carved in the CL. The performance gain is more pronounced when the channel direction is perpendicular to the flow field direction, indicating that the in-plane channels increase the utilization of the CL under the rib area. An oxygen-transport resistance analysis shows that both molecular and Knudsen diffusion can be facilitated with the introduction of the in-plane channels. The direct CL patterning technique provides a platform for the fabrication of advanced CL structures with a high structural fidelity and design flexibility and a rational guideline for designing high-performance CLs.

Critical review of carbon monoxide pressure measurements in the uranium carbon oxygen ternary system

NASA Astrophysics Data System (ADS)

Gossé, S.; Guéneau, C.; Chatillon, C.; Chatain, S.

2006-06-01

For high temperature reactors (HTR), the high level of fuel operating temperature in normal and accidental conditions requires to predict the possible chemical interactions between the fuel components. Among the concerns of the TRISO fuel particle thermomechanical behavior, it is necessary to better understand the carbon monoxide formation due to chemical interactions at the UO2 kernel and graphite buffer's interface. In a first step, the thermodynamic properties of the U-C-O system have to be assessed. The experimental data from literature on the equilibrium CO gas pressure measurements in the UO2-UC2-C ternary section of the U-C-O system are critically reviewed. Discrepancies between the different determinations can be explained - (i) by the different gaseous flow regimes in the experiments and - (ii) by the location of the measuring pressure gauge away from the reaction site. Experimental values are corrected - (i) from the gaseous flow type (molecular, transition or viscous) defined by the Knudsen number and - (ii) from the thermomolecular effect due to the temperature gradient inside the experimental vessels. Taking account of the selected and corrected values improves greatly the consistency of the original set of measurements.

Diffusion-driven fluid dynamics in ideal gases and plasmas

NASA Astrophysics Data System (ADS)

Vold, E. L.; Yin, L.; Taitano, W.; Molvig, K.; Albright, B. J.

2018-06-01

The classical transport theory based on Chapman-Enskog methods provides self-consistent approximations for the kinetic flux of mass, heat, and momentum in a fluid limit characterized with a small Knudsen number. The species mass fluxes relative to the center of mass, or "diffusive fluxes," are expressed as functions of known gradient quantities with kinetic coefficients evaluated using similar analyses for mixtures of gases or plasma components. The sum over species of the diffusive mass fluxes is constrained to be zero in the Lagrange frame, and thus results in a non-zero molar flux leading to a pressure perturbation. At an interface between two species initially in pressure equilibrium, the pressure perturbation driven by the diffusive molar flux induces a center of mass velocity directed from the species of greater atomic mass towards the lighter atomic mass species. As the ratio of the species particle masses increases, this center of mass velocity carries an increasingly greater portion of the mass across the interface and for a particle mass ratio greater than about two, the center of mass velocity carries more mass than the gradient driven diffusion flux. Early time transients across an interface between two species in a 1D plasma regime and initially in equilibrium are compared using three methods; a fluid code with closure in a classical transport approximation, a particle in cell simulation, and an implicit Fokker-Planck solver for the particle distribution functions. The early time transient phenomenology is shown to be similar in each of the computational simulation methods, including a pressure perturbation associated with the stationary "induced" component of the center of mass velocity which decays to pressure equilibrium during diffusion. At early times, the diffusive process generates pressure and velocity waves which propagate outward from the interface and are required to maintain momentum conservation. The energy in the outgoing waves dissipates as heat in viscous regions, and it is hypothesized that these diffusion driven waves may sustain fluctuations in less viscid finite domains after reflections from the boundaries. These fluid dynamic phenomena are similar in gases or plasmas and occur in flow transients with a moderate Knudsen number. The analysis and simulation results show how the kinetic flux, represented in the fluid transport closure, directly modifies the mass averaged flow described with the Euler equations.

Condensational Droplet Growth in Rarefied Quiescent Vapor and Forced Convective Conditions

NASA Astrophysics Data System (ADS)

Anand, Sushant

Multiphase Heat transfer is ubiquitous in diverse fields of application such as cooling systems, micro and mini power systems and many chemical processes. By now, single phase dynamics are mostly understood in their applications in vast fields, however multiphase systems especially involving phase changes are still a challenge. Present study aims to enhance understanding in this domain especially in the field of condensation heat transfer. Of special relevance to present studies is study of condensation phenomenon for detection of airborne nanoparticles using heterogeneous nucleation. Detection of particulate matter in the environment via heterogeneous condensation is based on the droplet growth phenomenon where seeding particles in presence of supersaturated vapor undergo condensation on their surface and amplify in size to micrometric ranges, thereby making them optically visible. Previous investigations show that condensation is a molecular exchange process affected by mean free path of vapor molecules (lambda) in conjunction with size of condensing droplet (d), which is measured in terms of Knudsen number (Kn=lambda/ d). In an event involving heterogeneous nucleation with favorable thermodynamic conditions for condensation to take place, the droplet growth process begins with accretion of vapor molecules on a surface through random molecular collision (Kn>1) until diffusive forces start dominating the mass transport process (Kn<<1). Knowledge of droplet growth thus requires understanding of mass transport in both of these regimes. Present study aims to understand the dynamics of the Microthermofluidic sensor which has been developed, based on above mentioned fundamentals. Using continuum approach, numerical modeling was carried to understand the effect of various system parameters for improving the device performance to produce conditions which can lead to conditions abetting condensational growth. The study reveals that the minimum size of nanoparticle which can be detected is critically dependent upon controlling wall geometry and size, wall temperature, flow rate and relative humidity of nanoparticle laden air stream. Droplet growths rates and sizes have been predicted based on different models. The efficacy of the device under various conditions has been measured in terms of its ability to activate nanoparticles of different sizes. Since the condensation mechanism is dependent upon the Knudsen regime in which droplets are growing via condensation, special consideration was made to understand their behavior in large Knudsen number conditions. For this purpose, ESEM was used to study condensation on a bare surface. Droplet growth obtained as a function of time reveals that the rate of growth decreases as the droplet increases in size. The experimental results obtained from these experiments were matched with theoretical description provided by a model based on framework of kinetic theory. Evidence was also found which establishes the presence of submicroscopic droplets nucleating and growing in between microscopic droplets for partially wetting case.

Evaporation enhancement in soils: a critical review

NASA Astrophysics Data System (ADS)

Rutten, Martine; van de Giesen, Nick

2015-04-01

Temperature gradients in the top layer of the soil are, especially during the daytime, steeper than would be expected if thermal conduction was the primary heat transfer mechanism. Evaporation seems to have significant influence on the soil heat budget. Only part of the surface soil heat flux is conducted downwards, increasing the soil temperatures, and part is used for evaporation, acting as a sink to the soil heat budget. For moist soils, the evaporation is limited by the transport of water molecules to the surface. The classical view is that water vapor is transported from the evaporation front to the surface by diffusion. Diffusion is mixing due to the random movement of molecules resulting in flattening concentration gradients. In soil, the diffusive vapor flux and the resulting latent heat flux are generally small. We found that transport enhancement is necessary in order to sustain vapor fluxes that are large enough to sustain latent heat fluxes, as well as being large enough to explain the observed temperature gradients. Enhancement of vapor diffusion is a known phenomenon, subject to debate on the explanations of underlying mechanism. In an extensive literature review on vapor enhancement in soils, the plausibility of various mechanisms was assessed. We reviewed mechanisms based on (combinations of) diffusive, viscous, buoyant, capillary and external pressure forces including: thermodiffusion, dispersion, Stefan's flow, Knudsen diffusion, liquid island effect, hydraulic lift, free convection, double diffusive convection and forced convection. The analysis of the order of magnitude of the mechanisms based on first principles clearly distinguished between plausible and implausible mechanisms. Thermodiffusion, Stefan's flow, Knudsen effects, liquid islands do not significantly contribute to enhanced evaporation. Double diffusive convection seemed unlikely due to lack of experimental evidence, but could not be completely excluded from the list of potential mechanisms. Hydraulic lift, the mechanism that small capillaries lift liquid water to the surface where it evaporates, does significantly contribute to enhanced evaporation from soils, also from dryer soils. The experimental evidence for and the theoretical underpinnings of this mechanism are convincing. However, we sought mechanisms that both explain enhanced evaporation and steep temperature gradients in the soil during the daytime. These often observed gradients consist of a sharp decrease of temperature with a depth up to the depth of the evaporation front. Hydraulic lift cannot explain this because the evaporation front is located at the surface. One remaining mechanism is forced convection due to atmospheric pressure fluctuations, also referred to as wind pumping. Wind pumping causes displacement and flow velocities too small for significant convective and too small for significant dispersive transport, when steady state dispersion formulations are used. However, experiments do indicate significant dispersive transport that can be explained by dispersion under unsteady flow conditions. Forced convection due to pressure fluctuations seems to be the only mechanism that can explain both enhanced evaporation and the steep temperature gradients.

Direct numerical simulation of supercritical gas flow in complex nanoporous media: Elucidating the relationship between permeability and pore space geometry

NASA Astrophysics Data System (ADS)

Landry, C. J.; Prodanovic, M.; Eichhubl, P.

2015-12-01

Mudrocks and shales are currently a significant source of natural gas and understanding the basic transport properties of these formations is critical to predicting long-term production, however, the nanoporous nature of mudrocks presents a unique challenge. Mudrock pores are predominantly in the range of 1-100 nm, and within this size range the flow of gas at reservoir conditions will fall within the slip-flow and early transition-flow regime (0.001 < Kn < 1.0). Therefore, flow-rates will significantly deviate from Navier-Stokes predictions. Currently, the study of slip-flows is mostly limited to simple tube and channel geometries, but the geometry of mudrock pores is often sponge-like (organic matter) and/or platy (clays). Here we present a local effective viscosity lattice Boltzmann model (LEV-LBM) constructed for flow simulation in the slip- and early-transition flow regimes, adapted here for complex geometries. At the macroscopic scale the LEV-LBM is parameterized with local effective viscosities at each node to capture the variance of the mean free path of gas molecules in a bounded system. The LEV-LBM is first validated in simple tube geometries, where excellent agreement with linearized Boltzmann solutions is found for Knudsen numbers up to 1.0. The LEV-LBM is then employed to quantify the length effect on the apparent permeability of tubes, which suggests pore network modeling of flow in the slip and early-transition regime will result in overestimation unless the length effect is considered. Furthermore, the LEV-LBM is used to evaluate the predictive value of commonly measured pore geometry characteristics such as porosity, pore size distribution, and specific solid surface area for the calculation of permeability. We show that bundle of tubes models grossly overestimate apparent permeability, as well as underestimate the increase in apparent permeability with decreasing pressure as a result of excluding topology and pore shape from calculations.

Unified gas-kinetic scheme with multigrid convergence for rarefied flow study

NASA Astrophysics Data System (ADS)

Zhu, Yajun; Zhong, Chengwen; Xu, Kun

2017-09-01

The unified gas kinetic scheme (UGKS) is based on direct modeling of gas dynamics on the mesh size and time step scales. With the modeling of particle transport and collision in a time-dependent flux function in a finite volume framework, the UGKS can connect the flow physics smoothly from the kinetic particle transport to the hydrodynamic wave propagation. In comparison with the direct simulation Monte Carlo (DSMC) method, the current equation-based UGKS can implement implicit techniques in the updates of macroscopic conservative variables and microscopic distribution functions. The implicit UGKS significantly increases the convergence speed for steady flow computations, especially in the highly rarefied and near continuum regimes. In order to further improve the computational efficiency, for the first time, a geometric multigrid technique is introduced into the implicit UGKS, where the prediction step for the equilibrium state and the evolution step for the distribution function are both treated with multigrid acceleration. More specifically, a full approximate nonlinear system is employed in the prediction step for fast evaluation of the equilibrium state, and a correction linear equation is solved in the evolution step for the update of the gas distribution function. As a result, convergent speed has been greatly improved in all flow regimes from rarefied to the continuum ones. The multigrid implicit UGKS (MIUGKS) is used in the non-equilibrium flow study, which includes microflow, such as lid-driven cavity flow and the flow passing through a finite-length flat plate, and high speed one, such as supersonic flow over a square cylinder. The MIUGKS shows 5-9 times efficiency increase over the previous implicit scheme. For the low speed microflow, the efficiency of MIUGKS is several orders of magnitude higher than the DSMC. Even for the hypersonic flow at Mach number 5 and Knudsen number 0.1, the MIUGKS is still more than 100 times faster than the DSMC method for obtaining a convergent steady state solution.

Partial Pressures for Several In-Se Compositions from Optical Absorbance of the Vapor

NASA Technical Reports Server (NTRS)

Brebrick, R. F.; Su, Ching-Hua

2001-01-01

The optical absorbance of the vapor phase over various In-Se compositions between 33.3-60.99 at.% Se and 673-1418 K was measured and used to obtain the partial pressures of Se2(g) and In2Se(g). The results are in agreement with silica Bourdon gauge measurements for compositions between 50-61 at.%, but significantly higher than those from Knudsen cell and simultaneous Knudsen-torsion cell measurements. It is found that 60.99 at.% Se lies outside the sesquiselenide homogeneity range and 59.98 at.% Se lies inside and is the congruently melting composition. The Gibbs energy of formation of the liquid from its pure liquid elements between 1000-1300 K is essentially independent of temperature and falls between -36 to -38 kJ per g atomic weight for 50 and 56% Se at 1200 and 1300 K.

Vapor Pressure of Three Brominated Flame Retardants Determined via Knudsen Effusion Method

PubMed Central

Fu, Jinxia; Suuberg, Eric M.

2012-01-01

Brominated flame retardants (BFRs) have been used in a variety of consumer products in the past four decades. The vapor pressures for three widely used BFRs, that is, tetrabromobisphenol A (TBBPA), hexabromocyclododecane (HBCD), and octabromodiphenyl ethers (octaBDEs) mixtures, were determined using the Knudsen effusion method and compared to those of decabromodiphenyl ether (BDE209). The values measured extrapolated to 298.15 K are 8.47 × 10−9, 7.47 × 10−10, and 2.33 × 10−9 Pa, respectively. The enthalpies of sublimation for these BFRs were estimated using the Clausius-Clapeyron equation and are 143.6 ± 0.4, 153.7 ± 3.1, and 150.8 ± 3.2 kJ/mole, respectively. In addition, the enthalpies of fusion and melting temperatures for these BFRs were also measured in the present study. PMID:22213441

Surface-Induced Near-Field Scaling in the Knudsen Layer of a Rarefied Gas

NASA Astrophysics Data System (ADS)

Gazizulin, R. R.; Maillet, O.; Zhou, X.; Cid, A. Maldonado; Bourgeois, O.; Collin, E.

2018-01-01

We report on experiments performed within the Knudsen boundary layer of a low-pressure gas. The noninvasive probe we use is a suspended nanoelectromechanical string, which interacts with He 4 gas at cryogenic temperatures. When the pressure P is decreased, a reduction of the damping force below molecular friction ∝P had been first reported in Phys. Rev. Lett. 113, 136101 (2014), 10.1103/PhysRevLett.113.136101 and never reproduced since. We demonstrate that this effect is independent of geometry, but dependent on temperature. Within the framework of kinetic theory, this reduction is interpreted as a rarefaction phenomenon, carried through the boundary layer by a deviation from the usual Maxwell-Boltzmann equilibrium distribution induced by surface scattering. Adsorbed atoms are shown to play a key role in the process, which explains why room temperature data fail to reproduce it.

Study of the ion kinetic effects in ICF run-away burn using a quasi-1D hybrid model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Cheng -Kun; Molvig, Kim; Albright, Brian James

Here, the loss of fuel ions in the Gamow peak and other kinetic effects related to the α particles during ignition, run-away burn, and disassembly stages of an inertial confinement fusion D-T capsule are investigated with a quasi-1D hybrid volume ignition model that includes kinetic ions, fluid electrons, Planckian radiation photons, and a metallic pusher. The fuel ion loss due to the Knudsen effect at the fuel-pusher interface is accounted for by a local-loss model by with an albedo model for ions returning from the pusher wall. The tail refilling and relaxation of the fuel ion distribution are captured withmore » a nonlinear Fokker-Planck solver. Alpha heating of the fuel ions is modeled kinetically while simple models for finite alpha range and electron heating are used. This dynamical model is benchmarked with a 3 T hydrodynamic burn model employing similar assumptions. For an energetic pusher (~40 kJ) that compresses the fuel to an areal density of ~1.07g/cm 2 at ignition, the simulation shows that the Knudsen effect can substantially limit ion temperature rise in runaway burn. While the final yield decreases modestly from kinetic effects of the α particles, large reduction of the fuel reactivity during ignition and runaway burn may require a higher Knudsen loss rate compared to the rise time of the temperatures above ~25 keV when the broad D-T Gamow peak merges into the bulk Maxwellian distribution.« less

Study of the ion kinetic effects in ICF run-away burn using a quasi-1D hybrid model

DOE PAGES

Huang, Cheng -Kun; Molvig, Kim; Albright, Brian James; ...

2017-02-21

Here, the loss of fuel ions in the Gamow peak and other kinetic effects related to the α particles during ignition, run-away burn, and disassembly stages of an inertial confinement fusion D-T capsule are investigated with a quasi-1D hybrid volume ignition model that includes kinetic ions, fluid electrons, Planckian radiation photons, and a metallic pusher. The fuel ion loss due to the Knudsen effect at the fuel-pusher interface is accounted for by a local-loss model by with an albedo model for ions returning from the pusher wall. The tail refilling and relaxation of the fuel ion distribution are captured withmore » a nonlinear Fokker-Planck solver. Alpha heating of the fuel ions is modeled kinetically while simple models for finite alpha range and electron heating are used. This dynamical model is benchmarked with a 3 T hydrodynamic burn model employing similar assumptions. For an energetic pusher (~40 kJ) that compresses the fuel to an areal density of ~1.07g/cm 2 at ignition, the simulation shows that the Knudsen effect can substantially limit ion temperature rise in runaway burn. While the final yield decreases modestly from kinetic effects of the α particles, large reduction of the fuel reactivity during ignition and runaway burn may require a higher Knudsen loss rate compared to the rise time of the temperatures above ~25 keV when the broad D-T Gamow peak merges into the bulk Maxwellian distribution.« less

Stability of stationary inverse transport equation in diffusion scaling

NASA Astrophysics Data System (ADS)

Chen, Ke; Li, Qin; Wang, Li

2018-02-01

We consider the inverse problem of reconstructing the optical parameters for the stationary radiative transfer equation (RTE) from velocity-averaged measurement. The RTE often contains multiple scales, characterized by the magnitude of a dimensionless parameter—the Knudsen number ( \

Tortuosity Computations of Porous Materials using the Direct Simulation Monte Carlo

NASA Technical Reports Server (NTRS)

Borner, A.; Ferguson, C.; Panerai, F.; Mansour, Nagi N.

2017-01-01

Low-density carbon fiber preforms, used as thermal protection systems (TPS) materials for planetary entry systems, have permeable, highly porous microstructures consisting of interlaced fibers. Internal gas transport in TPS is important in modeling the penetration of hot boundary-layer gases and the in-depth transport of pyrolysis and ablation products. The gas effective diffusion coefficient of a porous material must be known before the gas transport can be modeled in material response solvers; however, there are very little available data for rigid fibrous insulators used in heritage TPS.The tortuosity factor, which reflects the efficiency of the percolation paths, can be computed from the effective diffusion coefficient of a gas inside a porous material and is based on the micro-structure of the material. It is well known, that the tortuosity factor is a strong function of the Knudsen number. Due to the small characteristic scales of porous media used in TPS applications (typical pore size of the order of 50 micron), the transport of gases can occur in the rarefied and transitional regimes, at Knudsen numbers above 1. A proper way to model the gas dynamics at these conditions consists in solving the Boltzmann equation using particle-based methods that account for movement and collisions of atoms and molecules.In this work we adopt, for the first time, the Direct Simulation Monte Carlo (DSMC) method to compute the tortuosity factor of fibrous media in the rarefied regime. To enable realistic simulations of the actual transport of gases in the porous medium, digitized computational grids are obtained from X-ray micro-tomography imaging of real TPS materials. The SPARTA DSMC solver is used for simulations. Effective diffusion coefficients and tortuosity factors are obtained by computing the mean-square displacement of diffusing particles.We first apply the method to compute the tortuosity factors as a function of the Knudsen number for computationally designed materials such as random cylindrical fibers and packed bed of spheres with prescribed porosity. Results are compared to literature values obtained using random walk methods in the rarefied and transitional regime and a finite-volume method for the continuum regime. We then compute tortuosity factors for a real carbon fiber material with a transverse isotropic structure (FiberForm), quantifying differences between through-thickness and in-plain tortuosities at various Knudsen regimes.

Orion Aerodynamics for Hypersonic Free Molecular to Continuum Conditions

NASA Technical Reports Server (NTRS)

Moss, James N.; Greene, Francis A.; Boyles, Katie A.

2006-01-01

Numerical simulations are performed for the Orion Crew Module, previously known as the Crew Exploration Vehicle (CEV) Command Module, to characterize its aerodynamics during the high altitude portion of its reentry into the Earth's atmosphere, that is, from free molecular to continuum hypersonic conditions. The focus is on flow conditions similar to those that the Orion Crew Module would experience during a return from the International Space Station. The bulk of the calculations are performed with two direct simulation Monte Carlo (DSMC) codes, and these data are anchored with results from both free molecular and Navier-Stokes calculations. Results for aerodynamic forces and moments are presented that demonstrate their sensitivity to rarefaction, that is, for free molecular to continuum conditions (Knudsen numbers of 111 to 0.0003). Also included are aerodynamic data as a function of angle of attack for different levels of rarefaction and results that demonstrate the aerodynamic sensitivity of the Orion CM to a range of reentry velocities (7.6 to 15 km/s).

Maximum-entropy reconstruction method for moment-based solution of the Boltzmann equation

NASA Astrophysics Data System (ADS)

Summy, Dustin; Pullin, Dale

2013-11-01

We describe a method for a moment-based solution of the Boltzmann equation. This starts with moment equations for a 10 + 9 N , N = 0 , 1 , 2 . . . -moment representation. The partial-differential equations (PDEs) for these moments are unclosed, containing both higher-order moments and molecular-collision terms. These are evaluated using a maximum-entropy construction of the velocity distribution function f (c , x , t) , using the known moments, within a finite-box domain of single-particle-velocity (c) space. Use of a finite-domain alleviates known problems (Junk and Unterreiter, Continuum Mech. Thermodyn., 2002) concerning existence and uniqueness of the reconstruction. Unclosed moments are evaluated with quadrature while collision terms are calculated using a Monte-Carlo method. This allows integration of the moment PDEs in time. Illustrative examples will include zero-space- dimensional relaxation of f (c , t) from a Mott-Smith-like initial condition toward equilibrium and one-space dimensional, finite Knudsen number, planar Couette flow. Comparison with results using the direct-simulation Monte-Carlo method will be presented.

A comparative study of turbulence decay using Navier-Stokes and a discrete particle simulation

NASA Technical Reports Server (NTRS)

Goswami, A.; Baganoff, D.; Lele, S.; Feiereisen, W.

1993-01-01

A comparative study of the two dimensional temporal decay of an initial turbulent state of flow is presented using a direct Navier-Stokes simulation and a particle method, ranging from the near continuum to more rarefied regimes. Various topics related to matching the initial conditions between the two simulations are considered. The determination of the initial velocity distribution function in the particle method was found to play an important role in the comparison. This distribution was first developed by matching the initial Navier-Stokes state of stress, but was found to be inadequate beyond the near continuum regime. An alternative approach of using the Lees two-sided Maxwellian to match the initial strain-rate is discussed. Results of the comparison of the temporal decay of mean kinetic energy are presented for a range of Knudsen numbers. As expected, good agreement was observed for the near continuum regime, but the differences found for the more rarefied conditions were unexpectedly small.

Perspectives on hypersonic viscous and nonequilibrium flow research

NASA Technical Reports Server (NTRS)

Cheng, H. K.

1992-01-01

An attempt is made to reflect on current focuses in certain areas of hypersonic flow research by examining recent works and their issues. Aspects of viscous interaction, flow instability, and nonequilibrium aerothermodynamics pertaining to theoretical interest are focused upon. The field is a diverse one, and many exciting works may have either escaped the writer's notice or been abandoned for the sake of space. Students of hypersonic viscous flow must face the transition problems towards the two opposite ends of the Reynolds or Knudsen number range, which represents two regimes where unresolved fluid/gas dynamic problems abound. Central to the hypersonic flow studies is high-temperature physical gas dynamics; here, a number of issues on modelling the intermolecular potentials and inelastic collisions remain the obstacles to quantitative predictions. Research in combustion and scramjet propulsion will certainly be benefitted by advances in turbulent mixing and new computational fluid dynamics (CFD) strategies on multi-scaled complex reactions. Even for the sake of theoretical development, the lack of pertinent experimental data in the right energy and density ranges is believed to be among the major obstacles to progress in aerothermodynamic research for hypersonic flight. To enable laboratory simulation of nonequilibrium effects anticipated for transatmospheric flight, facilities capable of generating high enthalpy flow at density levels higher than in existing laboratories are needed (Hornung 1988). A new free-piston shock tunnel capable of realizing a test-section stagnation temperature of 10(exp 5) at Reynolds number 50 x 10(exp 6)/cm is being completed and preliminary tests has begun (H. Hornung et al. 1992). Another laboratory study worthy of note as well as theoretical support is the nonequilibrium flow experiment of iodine vapor which has low activation energies for vibrational excitation and dissociation, and can be studied in a laboratory with modest resources (Pham-Van-Diep et al. 1992).

Laser reflection method for determination of shear stress in low density transitional flows

NASA Astrophysics Data System (ADS)

Sathian, Sarith P.; Kurian, Job

2006-03-01

The details of laser reflection method (LRM) for the determination of shear stress in low density transitional flows are presented. The method is employed to determine the shear stress due to impingement of a low density supersonic free jet issuing out from a convergent divergent nozzle on a flat plate. The plate is smeared with a thin oil film and kept parallel to the nozzle axis. For a thin oil film moving under the action of aerodynamic boundary layer, the shear stress at the air-oil interface is equal to the shear stress between the surface and air. A direct and dynamic measurement of the oil film slope generated by the shear force is done using a position sensing detector (PSD). The thinning rate of the oil film is directly measured which is the major advantage of the LRM. From the oil film slope history, calculation of the shear stress is done using a three-point formula. The range of Knudsen numbers investigated is from 0.028 to 0.516. Pressure ratio across the nozzle varied from 3,500 to 8,500 giving highly under expanded free jets. The measured values of shear, in the overlapping region of experimental parameters, show fair agreement with those obtained by force balance method and laser interferometric method.

Studies on Impingement Effects of Low Density Jets on Surfaces — Determination of Shear Stress and Normal Pressure

NASA Astrophysics Data System (ADS)

Sathian, Sarith. P.; Kurian, Job

2005-05-01

This paper presents the results of the Laser Reflection Method (LRM) for the determination of shear stress due to impingement of low-density free jets on flat plate. For thin oil film moving under the action of aerodynamic boundary layer the shear stress at the air-oil interface is equal to the shear stress between the surface and air. A direct and dynamic measurement of the oil film slope is measured using a position sensing detector (PSD). The thinning rate of oil film is directly measured which is the major advantage of the LRM over LISF method. From the oil film slope history, direct calculation of the shear stress is done using a three-point formula. For the full range of experiment conditions Knudsen numbers varied till the continuum limit of the transition regime. The shear stress values for low-density flows in the transition regime are thus obtained using LRM and the measured values of shear show fair agreement with those obtained by other methods. Results of the normal pressure measurements on a flat plate in low-density jets by using thermistors as pressure sensors are also presented in the paper. The normal pressure profiles obtained show the characteristic features of Newtonian impact theory for hypersonic flows.

The role of water management on the oxygen transport resistance in polymer electrolyte fuel cell with ultra-low precious metal loading

NASA Astrophysics Data System (ADS)

Srouji, A. K.; Zheng, L. J.; Dross, R.; Aaron, D.; Mench, M. M.

2017-10-01

Limiting current measurements are used to evaluate oxygen transport resistance in the catalyst layer of a polymer electrolyte fuel cell (PEFC). The pressure independent oxygen transport resistance in the electrode is quantified for two cell architectures and two cathode Pt loadings (0.4 and 0.07 mgPt.cm-2). The compounded effect of the flow field and Pt loading is used to shed light on the nature of the observed transport resistance, especially its response to fundamentally different flow fields, which is shown to directly or indirectly scale with Pt loading in the open literature. By varying gas pressure and using low oxygen concentrations, the total oxygen transport resistance is divided into intermolecular gas diffusion (a pressure-dependent component) and a pressure independent component, which can be attributed to Knudsen diffusion or dissolution film resistance. The pressure-independent oxygen transport resistance in the catalyst layer varies between 13.3 and 34.4 s/m. It is shown that the pressure independent oxygen transport resistance increases with reduced Pt loading, but that effect is greatly exacerbated by using conventional channel/lands. The results indicate that open metallic element architecture improves the oxygen transport resistance in ultra-low Pt loading electrodes, likely due to enhanced water management at the catalyst layer.

Outgassing Total Mass Loss Obtained with Micro-CVCM and Other Vacuum Systems

NASA Technical Reports Server (NTRS)

Scialdone, John; Isaac, Peggy; Clatterbuck, Carroll; Hunkeler, Ronald; Powers, Edward I. (Technical Monitor)

2000-01-01

Several instruments including the Cahn Microbalance, the Knudsen Cell, the micro-CVCM, and the vacuum Thermogravimetric Analyzer (TGA) were used in the testing of a graphite epoxy (GR/EP) composite that is proposed for use as a rigidizing element of an inflatable deployment system. This GR/EP will be cured in situ. The purpose of this testing is to estimate the gaseous production resulting from the curing of the GR/EP composite, to predict the resulting pressure, and to calculate the required venting. Every test was conducted under vacuum at 125 C for 24 hours. Upon comparison of the results, the ASTM E-595 was noted to have given readings that were consistently lower than those obtained using the other instruments, which otherwise provided similar results. The GR/EP was tested using several different geometric arrangements. This paper describes the analysis evaluating the molecular and continuum flow of the outgassing products issuing from the exit port of the ASTM E-595 system. The effective flow conductance provided by the physical dimensions of the vent passage of the ASTM E-595 system and that of the material sample among other factors were investigated to explain the reduced amount of outgassing released during the 24-hour test period,

Material Total Mass Loss in Vacuum Obtained From Various Outgassing Systems

NASA Technical Reports Server (NTRS)

Scialdone, John; Isaac, Peggy; Clatterbuck, Carroll; Hunkeler, Ronald

2000-01-01

Several instruments including the Cahn Microbalance, the Knudsen Cell, the micro-CVCM, and the vacuum Thermogravimetric Analyzer (TGA) were used in the testing of a graphite/epoxy (GR/EP) composite that is proposed for use as a rigidizing element of an inflatable deployment system. This GR/EP will be cured in situ. The purpose of this testing is to estimate the gaseous production resulting from the curing of the GR/EP composite, to predict the resulting pressure, and to calculate the required venting. Every test was conducted under vacuum at 125 degrees C for 24 hours. Upon comparison of the results, the ASTM E-595 was noted to have given readings that were consistently lower than those obtained using the other instruments, which otherwise provided similar results. The GR/EP was tested using several different geometric arrangements. This paper describes the analysis evaluating the molecular and continuum flow of the outgassing products issuing from the exit port of the ASTM E-595 system. The effective flow conductance provided by the physical dimensions of the vent passage of the ASTM E-595 system and that of the material sample among other factors were investigated to explain the reduced amount of outgassing released during the 24-hour test period.

Outgassing Total Mass Loss Obtained with Micro-CVCM and other Vacuum Systems

NASA Technical Reports Server (NTRS)

Scialdone, John J.; Isaac, Peggy A.; Clatterbuck, Carroll H.; Hunkeler, Ronald E.; Powers, Edward I. (Technical Monitor)

2000-01-01

Several instruments including the Cahn Microbalance the Knudsen Cell, the micro-CVCM, and the vacuum Thermogravimetric Analyzer (TGA) were used in the testing of a graphite epoxy (GR/EP) composite that is proposed for use as a rigidizing element of an inflatable deployment system. This GR/EP will be cured in situ. The purpose of this testing is to estimate the gaseous production resulting from the curing of the GR/EP composite, to predict the resulting pressure, and to calculate the required venting. Every test was conducted under vacuum at 125 C for 24 hours. Upon comparison of the results, the ASTM E-595 was noted to have given readings that were consistently lower than those obtained using the other instruments, which otherwise provided similar results. The GR/EP was tested using several different geometric arrangements. This paper describes the analysis evaluating the molecular and continuum flow of the outgassing products issuing from the exit port of the ASTM E-595 system. The effective flow conductance provided by the physical dimensions of the vent passage of the ASTM E-595 system and that of the material sample among other factors were investigated to explain the reduced amount of outgassing released during the 24-hour test period

Numerical investigation of rarefaction effects in the vicinity of a sharp leading edge

NASA Astrophysics Data System (ADS)

Pan, Shaowu; Gao, Zhenxun; Lee, Chunhian

2014-12-01

This paper presents a study of rarefaction effect on hypersonic flow over a sharp leading edge. Both continuum approach and kinetic method: a widely spread commercial Computational Fluid Dynamics-Navior-Stokes-Fourier (CFD-NSF) software - Fluent together with a direct simulation Monte Carlo (DSMC) code developed by the authors are employed for simulation of transition regime with Knudsen number ranging from 0.005 to 0.2. It is found that Fluent can predict the wall fluxes in the case of hypersonic argon flow over the sharp leading edge for the lowest Kn case (Kn = 0.005) in current paper while for other cases it also has a good agreement with DSMC except at the location near the sharp leading edge. Among all of the wall fluxes, it is found that coefficient of pressure is the most sensitive to rarefaction while heat transfer is the least one. A parameter based on translational nonequilibrium and a cut-off value of 0.34 is proposed for continuum breakdown in this paper. The structure of entropy and velocity profile in boundary layer is analyzed. Also, it is found that the ratio of heat transfer coefficient to skin friction coefficient remains uniform along the surface for the four cases in this paper.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brull, S., E-mail: Stephane.Brull@math.u-bordeaux.fr; Charrier, P., E-mail: Pierre.Charrier@math.u-bordeaux.fr; Mieussens, L., E-mail: Luc.Mieussens@math.u-bordeaux.fr

It is well known that the roughness of the wall has an effect on microscale gas flows. This effect can be shown for large Knudsen numbers by using a numerical solution of the Boltzmann equation. However, when the wall is rough at a nanometric scale, it is necessary to use a very small mesh size which is much too expansive. An alternative approach is to incorporate the roughness effect in the scattering kernel of the boundary condition, such as the Maxwell-like kernel introduced by the authors in a previous paper. Here, we explain how this boundary condition can be implementedmore » in a discrete velocity approximation of the Boltzmann equation. Moreover, the influence of the roughness is shown by computing the structure scattering pattern of mono-energetic beams of the incident gas molecules. The effect of the angle of incidence of these molecules, of their mass, and of the morphology of the wall is investigated and discussed in a simplified two-dimensional configuration. The effect of the azimuthal angle of the incident beams is shown for a three-dimensional configuration. Finally, the case of non-elastic scattering is considered. All these results suggest that our approach is a promising way to incorporate enough physics of gas-surface interaction, at a reasonable computing cost, to improve kinetic simulations of micro- and nano-flows.« less

Assessment of ion kinetic effects in shock-driven inertial confinement fusion implosions using fusion burn imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rosenberg, M. J., E-mail: mros@lle.rochester.edu; Séguin, F. H.; Rinderknecht, H. G.

The significance and nature of ion kinetic effects in D{sup 3}He-filled, shock-driven inertial confinement fusion implosions are assessed through measurements of fusion burn profiles. Over this series of experiments, the ratio of ion-ion mean free path to minimum shell radius (the Knudsen number, N{sub K}) was varied from 0.3 to 9 in order to probe hydrodynamic-like to strongly kinetic plasma conditions; as the Knudsen number increased, hydrodynamic models increasingly failed to match measured yields, while an empirically-tuned, first-step model of ion kinetic effects better captured the observed yield trends [Rosenberg et al., Phys. Rev. Lett. 112, 185001 (2014)]. Here, spatiallymore » resolved measurements of the fusion burn are used to examine kinetic ion transport effects in greater detail, adding an additional dimension of understanding that goes beyond zero-dimensional integrated quantities to one-dimensional profiles. In agreement with the previous findings, a comparison of measured and simulated burn profiles shows that models including ion transport effects are able to better match the experimental results. In implosions characterized by large Knudsen numbers (N{sub K} ∼ 3), the fusion burn profiles predicted by hydrodynamics simulations that exclude ion mean free path effects are peaked far from the origin, in stark disagreement with the experimentally observed profiles, which are centrally peaked. In contrast, a hydrodynamics simulation that includes a model of ion diffusion is able to qualitatively match the measured profile shapes. Therefore, ion diffusion or diffusion-like processes are identified as a plausible explanation of the observed trends, though further refinement of the models is needed for a more complete and quantitative understanding of ion kinetic effects.« less

Assessment of ion kinetic effects in shock-driven inertial confinement fusion (ICF) implosions using fusion burn imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rosenberg, M. J.; Séguin, F. H.; Amendt, P. A.

The significance and nature of ion kinetic effects in D³He-filled, shock-driven inertial confinement fusion implosions are assessed through measurements of fusion burn profiles. Over this series of experiments, the ratio of ion-ion mean free path to minimum shell radius (the Knudsen number, N K) was varied from 0.3 to 9 in order to probe hydrodynamic-like to strongly kinetic plasma conditions; as the Knudsen number increased, hydrodynamic models increasingly failed to match measured yields, while an empirically-tuned, first-step model of ion kinetic effects better captured the observed yield trends [Rosenberg et al., Phys. Rev. Lett. 112, 185001 (2014)]. Here, spatially resolvedmore » measurements of the fusion burn are used to examine kinetic ion transport effects in greater detail, adding an additional dimension of understanding that goes beyond zero-dimensional integrated quantities to one-dimensional profiles. In agreement with the previous findings, a comparison of measured and simulated burn profiles shows that models including ion transport effects are able to better match the experimental results. In implosions characterized by large Knudsen numbers (N K ~ 3), the fusion burn profiles predicted by hydrodynamics simulations that exclude ion mean free path effects are peaked far from the origin, in stark disagreement with the experimentally observed profiles, which are centrally peaked. In contrast, a hydrodynamics simulation that includes a model of ion diffusion is able to qualitatively match the measured profile shapes. Therefore, ion diffusion or diffusion-like processes are identified as a plausible explanation of the observed trends, though further refinement of the models is needed for a more complete and quantitative understanding of ion kinetic effects.« less

Assessment of ion kinetic effects in shock-driven inertial confinement fusion implosions using fusion burn imaging

NASA Astrophysics Data System (ADS)

Rosenberg, M. J.; Séguin, F. H.; Amendt, P. A.; Atzeni, S.; Rinderknecht, H. G.; Hoffman, N. M.; Zylstra, A. B.; Li, C. K.; Sio, H.; Gatu Johnson, M.; Frenje, J. A.; Petrasso, R. D.; Glebov, V. Yu.; Stoeckl, C.; Seka, W.; Marshall, F. J.; Delettrez, J. A.; Sangster, T. C.; Betti, R.; Wilks, S. C.; Pino, J.; Kagan, G.; Molvig, K.; Nikroo, A.

2015-06-01

The significance and nature of ion kinetic effects in D3He-filled, shock-driven inertial confinement fusion implosions are assessed through measurements of fusion burn profiles. Over this series of experiments, the ratio of ion-ion mean free path to minimum shell radius (the Knudsen number, NK) was varied from 0.3 to 9 in order to probe hydrodynamic-like to strongly kinetic plasma conditions; as the Knudsen number increased, hydrodynamic models increasingly failed to match measured yields, while an empirically-tuned, first-step model of ion kinetic effects better captured the observed yield trends [Rosenberg et al., Phys. Rev. Lett. 112, 185001 (2014)]. Here, spatially resolved measurements of the fusion burn are used to examine kinetic ion transport effects in greater detail, adding an additional dimension of understanding that goes beyond zero-dimensional integrated quantities to one-dimensional profiles. In agreement with the previous findings, a comparison of measured and simulated burn profiles shows that models including ion transport effects are able to better match the experimental results. In implosions characterized by large Knudsen numbers (NK ˜ 3), the fusion burn profiles predicted by hydrodynamics simulations that exclude ion mean free path effects are peaked far from the origin, in stark disagreement with the experimentally observed profiles, which are centrally peaked. In contrast, a hydrodynamics simulation that includes a model of ion diffusion is able to qualitatively match the measured profile shapes. Therefore, ion diffusion or diffusion-like processes are identified as a plausible explanation of the observed trends, though further refinement of the models is needed for a more complete and quantitative understanding of ion kinetic effects.

Assessment of ion kinetic effects in shock-driven inertial confinement fusion (ICF) implosions using fusion burn imaging

DOE PAGES

Rosenberg, M. J.; Séguin, F. H.; Amendt, P. A.; ...

2015-06-02

The significance and nature of ion kinetic effects in D³He-filled, shock-driven inertial confinement fusion implosions are assessed through measurements of fusion burn profiles. Over this series of experiments, the ratio of ion-ion mean free path to minimum shell radius (the Knudsen number, N K) was varied from 0.3 to 9 in order to probe hydrodynamic-like to strongly kinetic plasma conditions; as the Knudsen number increased, hydrodynamic models increasingly failed to match measured yields, while an empirically-tuned, first-step model of ion kinetic effects better captured the observed yield trends [Rosenberg et al., Phys. Rev. Lett. 112, 185001 (2014)]. Here, spatially resolvedmore » measurements of the fusion burn are used to examine kinetic ion transport effects in greater detail, adding an additional dimension of understanding that goes beyond zero-dimensional integrated quantities to one-dimensional profiles. In agreement with the previous findings, a comparison of measured and simulated burn profiles shows that models including ion transport effects are able to better match the experimental results. In implosions characterized by large Knudsen numbers (N K ~ 3), the fusion burn profiles predicted by hydrodynamics simulations that exclude ion mean free path effects are peaked far from the origin, in stark disagreement with the experimentally observed profiles, which are centrally peaked. In contrast, a hydrodynamics simulation that includes a model of ion diffusion is able to qualitatively match the measured profile shapes. Therefore, ion diffusion or diffusion-like processes are identified as a plausible explanation of the observed trends, though further refinement of the models is needed for a more complete and quantitative understanding of ion kinetic effects.« less

Programming microphysiological systems for children's health protection (SEBM meeting)

EPA Science Inventory

Presentation: Programming microphysiological systems for children’s health protectionAuthors: Knudsen1 T, Klieforth2 B, and Slikker3 W Jr.1National Center for Computational Toxicology/EPA, Research Triangle Park NC2National Center for Environmental Research/EPA, Washington DC3Nat...

77 FR 34059 - Endangered Species; Receipt of Applications for Permit

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-08

... leopard (Uncia uncia) African wild dog (Lycaon pictus) Cheetah (Acinonyx jubatus) Applicant: M. Knudsen... radiata) salmon-crested cockatoo (Cacatua moluccensis) ring-tailed lemur (Lemur catta) black-and-white... (Spheniscus demersus) Andean condor (Vultur gryphus) White-naped crane (Grus vipio) Salmon-crested cockatoo...

2d Granular Gas in Knudsen Regime and in Microgravity Excited by Vibration: Velocity and Position Distributions

NASA Astrophysics Data System (ADS)

Hou, M.; Liu, R.; Li, Y.; Lu, K.; Garrabos, Y.; Evesque, P.

2009-06-01

Dynamics of quasi-2d dissipative granular gas is studied in microgravity condition (of the order of 10-4 g) in the limit of Knudsen regime. The gas, made of 4 spheres, is confined in a square cell enforced to follow linear sinusoidal vibration in ten different vibration modes. The trajectory of one of the particles is tracked and reconstructed from the 2-hour video data. From statistical analysis, we find that (i) loss due to wall friction is small, (ii) trajectory looks ergodic in space, and (iii) distribution ρ(v) of speed follows an exponential distribution, i.e. ρ(v)≈exp(-v/vxo,yo), with vxo,yo being a characteristic velocity along a direction parallel (y) or perpendicular (x) to vibration direction. This law deviates strongly from the Boltzmann distribution of speed in molecular gas. Comparisons of this result with previous measurements in earth environment, and what was found in 3d cell [1] performed in 10-2 g environment are given.

Fast ion transport at a gas-metal interface

DOE PAGES

McDevitt, Christopher J.; Tang, Xian-Zhu; Guo, Zehua

2017-11-06

Fast ion transport and the resulting fusion yield reduction are computed at a gas-metal interface. The extent of fusion yield reduction is observed to depend sensitively on the charge state of the surrounding pusher material and the width of the atomically mixed region. These sensitivities suggest that idealized boundary conditions often implemented at the gas-pusher interface for the purpose of estimating fast ion loss will likely overestimate fusion reactivity reduction in several important limits. Additionally, the impact of a spatially complex material interface is investigated by considering a collection of droplets of the pusher material immersed in a DT plasma.more » It is found that for small Knudsen numbers, the extent of fusion yield reduction scales with the surface area of the material interface. As the Knudsen number is increased, but, the simple surface area scaling is broken, suggesting that hydrodynamic mix has a nontrivial impact on the extent of fast ion losses.« less

High-temperature mass spectrometry - Vaporization of group 4-B metal carbides. [using Knudsen effusion

NASA Technical Reports Server (NTRS)

Stearns, C. A.; Kohl, F. J.

1974-01-01

The high temperature vaporization of the metal-carbon systems TiC, ZrC, HfC, and ThC was studied by the Knudsen effusion - mass spectrometric method. For each system the metal dicarbide and tetracarbide molecular species were identified in the gas phase. Relative ion currents of the carbides and metals were measured as a function of temperature. Second- and third-law methods were used to determine enthalpies. Maximum values were established for the dissociation energies of the metal monocarbide molecules TiC, ZrC, HfC, and ThC. Thermodynamic functions used in the calculations are discussed in terms of assumed molecular structures and electronic contributions to the partition functions. The trends shown by the dissociation energies of the carbides of Group 4B are compared with those of neighboring groups and discussed in relation to the corresponding oxides and chemical bonding. The high temperature molecular beam inlet system and double focusing mass spectrometer are described.

Knudsen and inverse Knudsen layer effect on tail ion distribution and fusion reactivity in inertial confinement fusion targets

NASA Astrophysics Data System (ADS)

McDevitt, C. J.; Tang, X.-Z.; Guo, Z.; Berk, H. L.

2014-10-01

A series of reduced models are used to study the fast ion tail in the vicinity of a transition layer between plasmas at disparate temperatures and densities, which is typical of the gas-pusher interface in inertial confinement fusion targets. Emphasis is placed on utilizing progressively more comprehensive models in order to identify the essential physics for computing the fast ion tail at energies comparable to the Gamow peak. The resulting fast ion tail distribution is subsequently used to compute the fusion reactivity as a function of collisionality and temperature. It is found that while the fast ion distribution can be significantly depleted in the hot spot, leading to a reduction of the fusion reactivity in this region, a surplus of fast ions is present in the neighboring cold region. The presence of this fast ion surplus in the neighboring cold region is shown to lead to a partial recovery of the fusion yield lost in the hot spot.

Impact of Separation Distance on Multi-Vane Radiometer Configurations

NASA Astrophysics Data System (ADS)

Cornella, B. M.; Ketsdever, A. D.; Gimelshein, N. E.; Gimelshein, S. F.

2011-05-01

The radiometric force produced by a linear array of three radiometer vanes has been assessed numerically using an argon carrier gas and experimentally using air. The separation distance between the three vanes of the array was varied between 0 and 120 percent based on the height of an individual radiometer vane of 40 mm. Qualitative agreement between the numerical and experimental results is shown as a function of operating Knudsen number, vane separation distance, and surrounding chamber geometry. Both sets of results indicate an asymptotic trend in maximum force as the separation distance increases as well as a shift in the maximum force Knudsen number. Small chamber effects for both numerical and experimental results indicate an increase of the total force ranging from a factor of 2.5 to 4. Quantitatively, however, the numerical simulations yield forces approximately an order of magnitude higher than observed in the experiments due to differences in carrier gas and accommodation coefficient as well as the two dimensional nature of the numerical simulations versus the three dimensional experiment.

Monte Carlo simulation for kinetic chemotaxis model: An application to the traveling population wave

NASA Astrophysics Data System (ADS)

Yasuda, Shugo

2017-02-01

A Monte Carlo simulation of chemotactic bacteria is developed on the basis of the kinetic model and is applied to a one-dimensional traveling population wave in a microchannel. In this simulation, the Monte Carlo method, which calculates the run-and-tumble motions of bacteria, is coupled with a finite volume method to calculate the macroscopic transport of the chemical cues in the environment. The simulation method can successfully reproduce the traveling population wave of bacteria that was observed experimentally and reveal the microscopic dynamics of bacterium coupled with the macroscopic transports of the chemical cues and bacteria population density. The results obtained by the Monte Carlo method are also compared with the asymptotic solution derived from the kinetic chemotaxis equation in the continuum limit, where the Knudsen number, which is defined by the ratio of the mean free path of bacterium to the characteristic length of the system, vanishes. The validity of the Monte Carlo method in the asymptotic behaviors for small Knudsen numbers is numerically verified.

Thermodiffusion in concrete slab as a driving force of indoor radon entry.

PubMed

Minkin, L

2001-02-01

The core of the hypotheses considered is that there is an additional strong driving force-the thermodiffusion of radon and soil air in concrete and soils, which can cause an intensive indoor radon entry. A vertical thermogradient in the slab causes thermodiffusion air flux through concrete into the house. The proof of this concept is based on consideration of concrete slab as a micro-porous system having a pore-size distribution that mostly pertains to Knudsen's region and a transition zone of pore sizes. The Knudsen's theory for a transition zone is developed, which is consistent with the known experimental data of thermodiffusion. Calculated thermodiffusion air flux across a concrete slab under thermogradient 80 K m(-1) approximately ranges 1 x 10(-7)-1 x 10(-6) kg x m(-2) x s(-1). The calculated typical radon-bearing advective air velocity in soil due to thermogradient in the slab is about 1 x 10(-6) m x s(-1).

Computer Simulation of Developmental Processes and ...

EPA Pesticide Factsheets

see attached presentation slides Dr. Knudsen has been invited to give a lecture at XIV International Congress of Toxicology (IUTOX) in Merida-Mexico October 2-6, 2016. He was invited to speak in a workshop on “Developmental Toxicology, Different Models, Different Endpoints” and will give a lecture entitled

On the origin and elimination of macroscopic defects in MBE films

NASA Astrophysics Data System (ADS)

Wood, C. E. C.; Rathbun, L.; Ohno, H.; DeSimone, D.

1981-02-01

Spitting of group III metal droplets from Knudsen type effusion cells has been found culpable for a genre of problematical macroscopic surface topographical defects observed in the growth of semiconductor films by molecular beam epitaxy. Successful precautions are described which virtually eliminate the problem.

Comparison of DSMC and CFD Solutions of Fire II Including Radiative Heating

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Johnston, Christopher O.; Lewis, Mark J.

2011-01-01

The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. These flows may also contain significant radiative heating. To prepare for these missions, NASA is developing the capability to simulate rarefied, ionized flows and to then calculate the resulting radiative heating to the vehicle's surface. In this study, the DSMC codes DAC and DS2V are used to obtain charge-neutral ionization solutions. NASA s direct simulation Monte Carlo code DAC is currently being updated to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced Quantum-Kinetic chemistry model, and to include electronic energy levels as an additional internal energy mode. The Fire II flight test is used in this study to assess these new capabilities. The 1634 second data point was chosen for comparisons to be made in order to include comparisons to computational fluid dynamics solutions. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid. It is shown that there can be quite a bit of variability in the vibrational temperature inferred from DSMC solutions and that, from how radiative heating is computed, the electronic temperature is much better suited for radiative calculations. To include the radiative portion of heating, the flow-field solutions are post-processed by the non-equilibrium radiation code HARA. Acceptable agreement between CFD and DSMC flow field solutions is demonstrated and the progress of the updates to DAC, along with an appropriate radiative heating solution, are discussed. In addition, future plans to generate more high fidelity radiative heat transfer solutions are discussed.

Slip and barodiffusion phenomena in slow flows of a gas mixture

NASA Astrophysics Data System (ADS)

Zhdanov, V. M.

2017-03-01

The slip and barodiffusion problems for the slow flows of a gas mixture are investigated on the basis of the linearized moment equations following from the Boltzmann equation. We restrict ourselves to the set of the third-order moment equations and state two general relations (resembling conservation equations) for the moments of the distribution function similar to the conditions used by Loyalka [S. K. Loyalka, Phys. Fluids 14, 2291 (1971), 10.1063/1.1693331] in his approximation method (the modified Maxwell method). The expressions for the macroscopic velocities of the gas mixture species, the partial viscous stress tensors, and the reduced heat fluxes for the stationary slow flow of a gas mixture in the semi-infinite space over a plane wall are obtained as a result of the exact solution of the linearized moment equations in the 10- and 13-moment approximations. The general expression for the slip velocity and the simple and accurate expressions for the viscous, thermal, diffusion slip, and baroslip coefficients, which are given in terms of the basic transport coefficients, are derived by using the modified Maxwell method. The solutions of moment equations are also used for investigation of the flow and diffusion of a gas mixture in a channel formed by two infinite parallel plates. A fundamental result is that the barodiffusion factor in the cross-section-averaged expression for the diffusion flux contains contributions associated with the viscous transfer of momentum in the gas mixture and the effect of the Knudsen layer. Our study revealed that the barodiffusion factor is equal to the diffusion slip coefficient (correct to the opposite sign). This result is consistent with the Onsager's reciprocity relations for kinetic coefficients following from nonequilibrium thermodynamics of the discontinuous systems.

Trace contaminant adsorption and sorbent regeneration in closed ecological systems

NASA Technical Reports Server (NTRS)

Arnold, C. R.; Kersels, G. J.; Merrill, R. P.; Robell, A. J.; Wheeler, A.

1972-01-01

Correlation was obtained for determining sorptive capacity of carbon for pure and mixed contaminants under dry and humid conditions at various temperatures. Vacuum desorption rates were investigated for single particles and for sorbent beds. For sorbent beds, rate-determining step is Knudsen diffusion through interparticle voids.

EVALUATION OF BIOLOGICALLY BASED DOSE-RESPONSE MODELING FOR DEVELOPMENTAL TOXICITY: A WORKSHOP REPORT

EPA Science Inventory

Evaluation of biologically based dose-response modeling for developmental toxicity: a workshop report.

Lau C, Andersen ME, Crawford-Brown DJ, Kavlock RJ, Kimmel CA, Knudsen TB, Muneoka K, Rogers JM, Setzer RW, Smith G, Tyl R.

Reproductive Toxicology Division, NHEERL...

NRL Plasma Formulary 2009

DTIC Science & Technology

2009-01-01

Knudsen Kn λ/L Hydrodynamic time / collision time Lewis Le κ/D *Thermal conduction/molecular diffusion Lorentz Lo V/c Magnitude of relativistic effects...to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data...44 Relativistic Electron Beams . . . . . . . . . . . . . . . . . . . . 46 Beam Instabilities

Implicit gas-kinetic unified algorithm based on multi-block docking grid for multi-body reentry flows covering all flow regimes

NASA Astrophysics Data System (ADS)

Peng, Ao-Ping; Li, Zhi-Hui; Wu, Jun-Lin; Jiang, Xin-Yu

2016-12-01

Based on the previous researches of the Gas-Kinetic Unified Algorithm (GKUA) for flows from highly rarefied free-molecule transition to continuum, a new implicit scheme of cell-centered finite volume method is presented for directly solving the unified Boltzmann model equation covering various flow regimes. In view of the difficulty in generating the single-block grid system with high quality for complex irregular bodies, a multi-block docking grid generation method is designed on the basis of data transmission between blocks, and the data structure is constructed for processing arbitrary connection relations between blocks with high efficiency and reliability. As a result, the gas-kinetic unified algorithm with the implicit scheme and multi-block docking grid has been firstly established and used to solve the reentry flow problems around the multi-bodies covering all flow regimes with the whole range of Knudsen numbers from 10 to 3.7E-6. The implicit and explicit schemes are applied to computing and analyzing the supersonic flows in near-continuum and continuum regimes around a circular cylinder with careful comparison each other. It is shown that the present algorithm and modelling possess much higher computational efficiency and faster converging properties. The flow problems including two and three side-by-side cylinders are simulated from highly rarefied to near-continuum flow regimes, and the present computed results are found in good agreement with the related DSMC simulation and theoretical analysis solutions, which verify the good accuracy and reliability of the present method. It is observed that the spacing of the multi-body is smaller, the cylindrical throat obstruction is greater with the flow field of single-body asymmetrical more obviously and the normal force coefficient bigger. While in the near-continuum transitional flow regime of near-space flying surroundings, the spacing of the multi-body increases to six times of the diameter of the single-body, the interference effects of the multi-bodies tend to be negligible. The computing practice has confirmed that it is feasible for the present method to compute the aerodynamics and reveal flow mechanism around complex multi-body vehicles covering all flow regimes from the gas-kinetic point of view of solving the unified Boltzmann model velocity distribution function equation.

Numerical Simulation of Transitional, Hypersonic Flows using a Hybrid Particle-Continuum Method

NASA Astrophysics Data System (ADS)

Verhoff, Ashley Marie

Analysis of hypersonic flows requires consideration of multiscale phenomena due to the range of flight regimes encountered, from rarefied conditions in the upper atmosphere to fully continuum flow at low altitudes. At transitional Knudsen numbers there are likely to be localized regions of strong thermodynamic nonequilibrium effects that invalidate the continuum assumptions of the Navier-Stokes equations. Accurate simulation of these regions, which include shock waves, boundary and shear layers, and low-density wakes, requires a kinetic theory-based approach where no prior assumptions are made regarding the molecular distribution function. Because of the nature of these types of flows, there is much to be gained in terms of both numerical efficiency and physical accuracy by developing hybrid particle-continuum simulation approaches. The focus of the present research effort is the continued development of the Modular Particle-Continuum (MPC) method, where the Navier-Stokes equations are solved numerically using computational fluid dynamics (CFD) techniques in regions of the flow field where continuum assumptions are valid, and the direct simulation Monte Carlo (DSMC) method is used where strong thermodynamic nonequilibrium effects are present. Numerical solutions of transitional, hypersonic flows are thus obtained with increased physical accuracy relative to CFD alone, and improved numerical efficiency is achieved in comparison to DSMC alone because this more computationally expensive method is restricted to those regions of the flow field where it is necessary to maintain physical accuracy. In this dissertation, a comprehensive assessment of the physical accuracy of the MPC method is performed, leading to the implementation of a non-vacuum supersonic outflow boundary condition in particle domains, and more consistent initialization of DSMC simulator particles along hybrid interfaces. The relative errors between MPC and full DSMC results are greatly reduced as a direct result of these improvements. Next, a new parameter for detecting rotational nonequilibrium effects is proposed and shown to offer advantages over other continuum breakdown parameters, achieving further accuracy gains. Lastly, the capabilities of the MPC method are extended to accommodate multiple chemical species in rotational nonequilibrium, each of which is allowed to equilibrate independently, enabling application of the MPC method to more realistic atmospheric flows.

Drying regimes in homogeneous porous media from macro- to nanoscale

NASA Astrophysics Data System (ADS)

Thiery, J.; Rodts, S.; Weitz, D. A.; Coussot, P.

2017-07-01

Magnetic resonance imaging visualization down to nanometric liquid films in model porous media with pore sizes from micro- to nanometers enables one to fully characterize the physical mechanisms of drying. For pore size larger than a few tens of nanometers, we identify an initial constant drying rate period, probing homogeneous desaturation, followed by a falling drying rate period. This second period is associated with the development of a gradient in saturation underneath the sample free surface that initiates the inward recession of the contact line. During this latter stage, the drying rate varies in accordance with vapor diffusion through the dry porous region, possibly affected by the Knudsen effect for small pore size. However, we show that for sufficiently small pore size and/or saturation the drying rate is increasingly reduced by the Kelvin effect. Subsequently, we demonstrate that this effect governs the kinetics of evaporation in nanopores as a homogeneous desaturation occurs. Eventually, under our experimental conditions, we show that the saturation unceasingly decreases in a homogeneous manner throughout the wet regions of the medium regardless of pore size or drying regime considered. This finding suggests the existence of continuous liquid flow towards the interface of higher evaporation, down to very low saturation or very small pore size. Paradoxically, even if this net flow is unidirectional and capillary driven, it corresponds to a series of diffused local capillary equilibrations over the full height of the sample, which might explain that a simple Darcy's law model does not predict the effect of scaling of the net flow rate on the pore size observed in our tests.

Carbon Nanotube Membranes for Water Purification

NASA Astrophysics Data System (ADS)

Bakajin, Olgica

2009-03-01

Carbon nanotubes are an excellent platform for the fundamental studies of transport through channels commensurate with molecular size. Water transport through carbon nanotubes is also believed to be similar to transport in biological channels such as aquaporins. I will discuss the transport of gas, water and ions through microfabricated membranes with sub-2 nanometer aligned carbon nanotubes as ideal atomically-smooth pores. The measured gas flow through carbon nanotubes exceeded predictions of the Knudsen diffusion model by more than an order of magnitude. The measured water flow exceeded values calculated from continuum hydrodynamics models by more than three orders of magnitude and is comparable to flow rates extrapolated from molecular dynamics simulations and measured for aquaporins. More recent reverse osmosis experiments reveal ion rejection by our membranes. Based on our experimental findings, the current understanding of the fundamentals of water and gas transport and of ion rejection will be discussed. The potential application space that exploits these unique nanofluidic phenomena will be explored. The extremely high permeabilities of these membranes, combined with their small pore size will enable energy efficient filtration and eventually decrease the cost of water purification.[4pt] In collaboration with Francesco Fornasiero, Biosciences and Biotechnology Division, PLS, LLNL, Livermore, CA 94550; Sangil Kim, NSF Center for Biophotonics Science & Technology, University of California at Davis, Sacramento CA 95817; Jung Bin In, Mechanical Engineering Department, UC Berkeley, Berkeley CA 94720; Hyung Gyu Park, Jason K Holt, and Michael Stadermann, Biosciences and Biotechnology Division, PLS, LLNL; Costas P. Grigoropoulos, Mechanical Engineering Department, UC Berkeley; Aleksandr Noy, Biosciences and Biotechnology Division, PLS, LLNL and School of Natural Sciences, University of California at Merced.

Far-from-equilibrium attractors and nonlinear dynamical systems approach to the Gubser flow

NASA Astrophysics Data System (ADS)

Behtash, Alireza; Cruz-Camacho, C. N.; Martinez, M.

2018-02-01

The nonequilibrium attractors of systems undergoing Gubser flow within relativistic kinetic theory are studied. In doing so we employ well-established methods of nonlinear dynamical systems which rely on finding the fixed points, investigating the structure of the flow diagrams of the evolution equations, and characterizing the basin of attraction using a Lyapunov function near the stable fixed points. We obtain the attractors of anisotropic hydrodynamics, Israel-Stewart (IS) and transient fluid (DNMR) theories and show that they are indeed nonplanar and the basin of attraction is essentially three dimensional. The attractors of each hydrodynamical model are compared with the one obtained from the exact Gubser solution of the Boltzmann equation within the relaxation time approximation. We observe that the anisotropic hydrodynamics is able to match up to high numerical accuracy the attractor of the exact solution while the second-order hydrodynamical theories fail to describe it. We show that the IS and DNMR asymptotic series expansions diverge and use resurgence techniques to perform the resummation of these divergences. We also comment on a possible link between the manifold of steepest descent paths in path integrals and the basin of attraction for the attractors via Lyapunov functions that opens a new horizon toward an effective field theory description of hydrodynamics. Our findings indicate that the reorganization of the expansion series carried out by anisotropic hydrodynamics resums the Knudsen and inverse Reynolds numbers to all orders and thus, it can be understood as an effective theory for the far-from-equilibrium fluid dynamics.

An assessment of the evaporation and condensation phenomena of lithium during the operation of a Li(d,xn) fusion relevant neutron source.

PubMed

Knaster, J; Kanemura, T; Kondo, K

2016-12-01

The flowing lithium target of a Li(d,xn) fusion relevant neutron source must evacuate the deuteron beam power and generate in a stable manner a flux of neutrons with a broad peak at 14 MeV capable to cause similar phenomena as would undergo the structural materials of plasma facing components of a DEMO like reactors. Whereas the physics of the beam-target interaction are understood and the stability of the lithium screen flowing at the nominal conditions of IFMIF (25 mm thick screen with +/-1 mm surface amplitudes flowing at 15 m/s and 523 K) has been demonstrated, a conclusive assessment of the evaporation and condensation of lithium during operation was missing. First attempts to determine evaporation rates started by Hertz in 1882 and have since been subject of continuous efforts driven by its practical importance; however intense surface evaporation is essentially a non-equilibrium process with its inherent theoretical difficulties. Hertz-Knudsen-Langmuir (HKL) equation with Schrage's 'accommodation factor' η = 1.66 provide excellent agreement with experiments for weak evaporation under certain conditions, which are present during a Li(d,xn) facility operation. An assessment of the impact under the known operational conditions for IFMIF (574 K and 10 -3 Pa on the free surface), with the sticking probability of 1 inherent to a hot lithium gas contained in room temperature steel walls, is carried out. An explanation of the main physical concepts to adequately place needed assumptions is included.

DSMC Simulations of High Mach Number Taylor-Couette Flow

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev

2017-11-01

The main focus of this work is to characterise the Taylor-Couette flow of an ideal gas between two coaxial cylinders at Mach number Ma =(Uw /√{ kbTw / m }) in the range 0.01

Investigation of a redox-sensitive predictive model of mouse embryonic stem cells differentiation using quantitative nuclease protection assays and glutathione redox status

EPA Science Inventory

Investigation of a redox-sensitive predictive model of mouse embryonic stem cell differentiation via quantitative nuclease protection assays and glutathione redox status Chandler KJ,Hansen JM, Knudsen T,and Hunter ES 1. U.S. Environmental Protection Agency, Research Triangl...

Knudsen effects in a Scott effect experiment.

NASA Technical Reports Server (NTRS)

Wells, C. W.; Wood, L. T.; Hildebrandt, A. F.

1973-01-01

A thermal torque sometimes observed in Scott effect measurements has been studied experimentally and an explanation for the thermal torque proposed. The magnitude of the thermal torque can be comparable to the Scott torque depending on geometrical and thermal anisotropies. The thermal torque is predicted to decrease with application of an axial magnetic field.

Targeting Ligand-Dependent and Ligand-Independent Androgen Receptor Signaling in Prostate Cancer

DTIC Science & Technology

2015-10-01

Nat Commun 2013: 4:1923. PMID: 23715282. Centenera MM, Gillis JL, Hanson AR, Jindal S, Taylor RA, Risbridger GP, Sutherland PD, Scher HI, Raj GV...Risbridger GP, Sutherland PD, Scher HI, Raj GV, Knudsen KE, Yeadon T; Australian Prostate Cancer BioResource, Tilley WD, Butler LM. Evidence for

Incorporating Biological, Chemical and Toxicological Knowledge into Predictive Models of Toxicity: Letter to the Editor

EPA Science Inventory

Thomas et al. (2012) recently published an evaluation of statistical models for classifying in vivo toxicity endpoints from ToxRefDB (Knudsen et al. 2009; Martin et al. 2009a and 2009b) using ToxCast in vitro bioactivity data (Judson et al. 2010) and chemical structure descriptor...

Knudsen effusion mass spectrometric studies over (USn3+U3Sn7) two-phase region of U-Sn system

NASA Astrophysics Data System (ADS)

Manikandan, P.; Trinadh, V. V.; Bera, Suranjan; Narasimhan, T. S. Lakshmi; Ananthasivan, K.; Joseph, M.; Mudali, U. Kamachi

2017-08-01

Vaporisation studies over (USn3+U3Sn7) ;two-phase; field have been carried out by employing Knudsen effusion mass spectrometry (KEMS) in the temperature range of 1050-1226 K. Sn(g) was the species observed in the mass spectrum of the equilibrium vapour phase over the samples (71.5 at% Sn and 73.0 at% Sn). The partial pressure of Sn(g) was measured as a function of temperature over (USn3+U3Sn7) ;two-phase; field and the p-T relation was derived as log (pSn/Pa) = ((-14580 ± 91)/(T/K)) + (8.82 ± 0.08) (1050-1226 K). The vaporisation reaction 3USn3(s) = U3Sn7(s) + 2Sn(g) was evaluated by second law method. The Gibbs energy of formation of USn3(s) was derived as ΔfGm°(U Sn3 , s , T) (±1.8) = -173.4 + 0.055 T (K) (kJ mol-1) (1050-1226 K). The mass spectrometric studies on this system have been carried out for the first time.

Thermodynamic study of gaseous CsBO2 by Knudsen effusion mass spectrometry

NASA Astrophysics Data System (ADS)

Nakajima, K.; Takai, T.; Furukawa, T.; Osaka, M.

2017-08-01

One of the main chemical forms of cesium in the gas phase during severe light-water reactor accidents is expected to be cesium metaborate, CsBO2, according to thermodynamic equilibrium calculations considering its reaction with boron. However, the accuracy of the thermodynamic data of the gaseous metaborate, CsBO2(g), has been judged as poor. Thus, Knudsen effusion mass spectrometric measurements of CsBO2 were carried out to obtain reliable thermodynamic data. The evaluated values of the standard enthalpy of formation of CsBO2(g), obtained by the 2nd and 3rd-law treatments, are -700.7 ± 10.7 kJ/mol and -697.0 ± 10.6 kJ/mol, respectively, and agree with each other within the experimental errors, which indicates that our data are reliable. Furthermore, it was found that the existing data of the Gibbs energy function and the standard enthalpy of formation agreed well with the values evaluated in this study, which indicates that the existing thermodynamic data are also reliable.

Gas Transport Selectivity of Ultrathin, Nanoporous, Inorganic Membranes Made from Block Copolymer Templates

DOE PAGES

Greil, Stefanie; Rahman, Atikur; Liu, Mingzhao; ...

2017-10-10

Here, we report the fabrication of ultrathin, nanoporous silicon nitride membranes made from templates of regular, nanoscale features in self-assembled block copolymer thin films. The inorganic membranes feature thicknesses less than 50 nm and volume porosities over 30%, with straight-through pores that offer high throughout for gas transport and separation applications. As fabricated, the pores are uniformly around 20 nm in diameter, but they can be controllably and continuously tuned to single-digit nanometer dimensions by atomic layer deposition of conformal coatings. A deviation from expected Knudsen diffusion is revealed for transport characteristics of saturated vapors of organic solvents across themore » membrane, which becomes more significant for membranes of smaller pores. We attribute this to capillary condensation of saturated vapors within membrane pores, which reduces membrane throughput by over 1 order of magnitude but significantly improves the membrane’s selectivity. Between vapors of acetone and ethyl acetate, we measure selectivities as high as 7:1 at ambient pressure and temperature, 4 times more than the Knudsen selectivity.« less

Comparison study on the calculation formula of evaporation mass flux through the plane vapour-liquid interface

NASA Astrophysics Data System (ADS)

Zhang, L.; Li, Y. R.; Zhou, L. Q.; Wu, C. M.

2017-11-01

In order to understand the influence of various factors on the evaporation rate on the vapor-liquid interface, the evaporation process of water in pure steam environment was calculated based on the statistical rate theory (SRT), and the results were compared with those from the traditional Hertz-Knudsen equation. It is found that the evaporation rate on the vapor-liquid interface increases with the increase of evaporation temperature and evaporation temperature difference and the decrease of vapor pressure. When the steam is in a superheated state, even if the temperature of the liquid phase is lower than that of the vapor phase, the evaporation may also occur on the vapor-liquid interface; at this time, the absolute value of the critical temperature difference for occurring evaporation decreases with the increase of vapor pressure. When the evaporation temperature difference is smaller, the theoretical calculation results based on the SRT are basically the same as the predicated results from the Hertz-Knudsen equation; but the deviation between them increases with the increase of temperature difference.

Gas Transport Selectivity of Ultrathin, Nanoporous, Inorganic Membranes Made from Block Copolymer Templates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Greil, Stefanie; Rahman, Atikur; Liu, Mingzhao

Here, we report the fabrication of ultrathin, nanoporous silicon nitride membranes made from templates of regular, nanoscale features in self-assembled block copolymer thin films. The inorganic membranes feature thicknesses less than 50 nm and volume porosities over 30%, with straight-through pores that offer high throughout for gas transport and separation applications. As fabricated, the pores are uniformly around 20 nm in diameter, but they can be controllably and continuously tuned to single-digit nanometer dimensions by atomic layer deposition of conformal coatings. A deviation from expected Knudsen diffusion is revealed for transport characteristics of saturated vapors of organic solvents across themore » membrane, which becomes more significant for membranes of smaller pores. We attribute this to capillary condensation of saturated vapors within membrane pores, which reduces membrane throughput by over 1 order of magnitude but significantly improves the membrane’s selectivity. Between vapors of acetone and ethyl acetate, we measure selectivities as high as 7:1 at ambient pressure and temperature, 4 times more than the Knudsen selectivity.« less

Nano filter from sintered rice husk silica membrane.

PubMed

Lee, Soo Young; Han, Chong Soo

2006-11-01

A nano filter showing the Knudsen flow was demonstrated by a modification of a membrane constructed from rice husk silica. The membrane was prepared by pressing and sintering micron sized rice husk silica with 4 nm pores. The membrane showed a permeability of 5.2 x 10(-8) mol m(-1) sec(-1) Pa(-1) for H2 and ratios of gas permeability 2.1 and 3.2 for k(H2)/k(CH4) and k(H2)/k(CO2), respectively. When the membrane was treated by filtration of approximately 100 nm sized rice husk silica particles, the permeability decreased to 4.9 x 10(-8) mol m(-1) sec(-1) Pa(-1) and the ratios increased to 2.2 and 3.4. In the case of the membrane after treatments with the dispersion and chemical deposition of tetraethylorthosilicate (TEOS), the corresponding permeability and ratios of the membrane were 1.8 x 10(-8) mol m(-1) sec(-1) Pa(-1), and 2.9 and 4.5, respectively. From the change of the ratio of gas permeability for the membrane with modifications, it is suggested that approximately 100 nm sized rice husk silica particles pack the large pores among the micron sized rice husk silica particles while the chemical deposition of tetraethylorthosilicate (TEOS) reveals the gas flow through 4 nm pores in the rice husk silica by blocking large pores.

Modelling of the inner gas and dust coma of comet 67P/Churyumov-Gerasimenko using ROSINA/COPS and OSIRIS data - First results

NASA Astrophysics Data System (ADS)

Marschall, R.; Su, C. C.; Liao, Y.; Thomas, N.; Wu, J. S.; Altwegg, K.; Sierks, H.; Ip, W.-H.; Keller, H. U.; Knollenberg, J.; Kührt, E.; Lai, I. L.; Rubin, M.; Skorov, Y.; Jorda, L.; Preusker, F.; Scholten, F.; Gicquel, A.; Gracia-Berná, A.; Naletto, G.

2015-10-01

The physics of the outflow above the surface of comets is somewhat complex. Ice sublimating into vacuum forms a non-equilibrium boundary layer, the "Knudsen layer" (Kn-layer), with a scale height of #20 mean free paths. If the production rate is low, the Kn-layer becomes infinitely thick and the velocity distribution function (VDF) remains strongly non-Maxwellian. Thus our preferred method for gas dynamics simulations of the coma is Direct Simulation Monte Carlo DSMC. Here we report on the first results of models of the outflow from the Rosetta target, comet67P/Churyumov-Gerasimenko (C-G). Our aims are to (1) determine the gas flow-field of H2O and CO2 in the innermost coma and compare the results to the in-situ measurements of the ROSINA/COPS instrument (2) produce artificial images of the dust brightnesses that can be compared to the OSIRIS cameras. The comparison with ROSINA/COPS and OSIRIS data help to constrain the initial conditions of the simulations and thus yield information on the surface processes.

Hydrodynamic coupling of two sharp-edged beams vibrating in a viscous fluid

PubMed Central

Intartaglia, Carmela; Soria, Leonardo; Porfiri, Maurizio

2014-01-01

In this paper, we study flexural vibrations of two thin beams that are coupled through an otherwise quiescent viscous fluid. While most of the research has focused on isolated beams immersed in placid fluids, inertial and viscous hydrodynamic coupling is ubiquitous across a multitude of engineering and natural systems comprising arrays of flexible structures. In these cases, the distributed hydrodynamic loading experienced by each oscillating structure is not only related to its absolute motion but is also influenced by its relative motion with respect to the neighbouring structures. Here, we focus on linear vibrations of two identical beams for low Knudsen, Keulegan–Carpenter and squeeze numbers. Thus, we describe the fluid flow using unsteady Stokes hydrodynamics and we propose a boundary integral formulation to compute pertinent hydrodynamic functions to study the fluid effect. We validate the proposed theoretical approach through experiments on centimetre-size compliant cantilevers that are subjected to underwater base-excitation. We consider different geometric arrangements, beam interdistances and excitation frequencies to ascertain the model accuracy in terms of the relevant non-dimensional parameters. PMID:24511249

Nano-particle drag prediction at low Reynolds number using a direct Boltzmann-BGK solution approach

NASA Astrophysics Data System (ADS)

Evans, B.

2018-01-01

This paper outlines a novel approach for solution of the Boltzmann-BGK equation describing molecular gas dynamics applied to the challenging problem of drag prediction of a 2D circular nano-particle at transitional Knudsen number (0.0214) and low Reynolds number (0.25-2.0). The numerical scheme utilises a discontinuous-Galerkin finite element discretisation for the physical space representing the problem particle geometry and a high order discretisation for molecular velocity space describing the molecular distribution function. The paper shows that this method produces drag predictions that are aligned well with the range of drag predictions for this problem generated from the alternative numerical approaches of molecular dynamics codes and a modified continuum scheme. It also demonstrates the sensitivity of flow-field solutions and therefore drag predictions to the wall absorption parameter used to construct the solid wall boundary condition used in the solver algorithm. The results from this work has applications in fields ranging from diagnostics and therapeutics in medicine to the fields of semiconductors and xerographics.

Enhanced water vapor separation by temperature-controlled aligned-multiwalled carbon nanotube membranes.

PubMed

Jeon, Wonjae; Yun, Jongju; Khan, Fakhre Alam; Baik, Seunghyun

2015-09-14

Here we present a new strategy of selectively rejecting water vapor while allowing fast transport of dry gases using temperature-controlled aligned-multiwalled carbon nanotubes (aligned-MWNTs). The mechanism is based on the water vapor condensation at the entry region of nanotubes followed by removing aggregated water droplets at the tip of the superhydrophobic aligned-MWNTs. The first condensation step could be dramatically enhanced by decreasing the nanotube temperature. The permeate-side relative humidity was as low as ∼17% and the helium-water vapor separation factor was as high as 4.62 when a helium-water vapor mixture with a relative humidity of 100% was supplied to the aligned-MWNTs. The flow through the interstitial space of the aligned-MWNTs allowed the permeability of single dry gases an order of magnitude higher than the Knudsen prediction regardless of membrane temperature. The water vapor separation performance of hydrophobic polytetrafluoroethylene membranes could also be significantly enhanced at low temperatures. This work combines the membrane-based separation technology with temperature control to enhance water vapor separation performance.

Pore size distribution effect on rarefied gas transport in porous media

NASA Astrophysics Data System (ADS)

Hori, Takuma; Yoshimoto, Yuta; Takagi, Shu; Kinefuchi, Ikuya

2017-11-01

Gas transport phenomena in porous media are known to strongly influence the performance of devices such as gas separation membranes and fuel cells. Knudsen diffusion is a dominant flow regime in these devices since they have nanoscale pores. Many experiments have shown that these porous media have complex structures and pore size distributions; thus, the diffusion coefficient in these media cannot be easily assessed. Previous studies have reported that the characteristic pore diameter of porous media can be defined in light of the pore size distribution; however, tortuosity factor, which is necessary for the evaluation of diffusion coefficient, is still unknown without gas transport measurements or simulations. Thus, the relation between pore size distributions and tortuosity factors is required to obtain the gas transport properties. We perform numerical simulations to prove the relation between them. Porous media are numerically constructed while satisfying given pore size distributions. Then, the mean-square displacement simulation is performed to obtain the tortuosity factors of the constructed porous media.. This paper is based on results obtained from a project commissioned by the New Energy and Industrial Development Organization (NEDO).

Reading Cultures, Christianization, and Secularization: Universalism and Particularism in the Swedish History of Literacy

ERIC Educational Resources Information Center

Lindmark, Daniel

2003-01-01

In the organization and ideology of the Lutheran state churches, Tim Knudsen has identified the roots of universalism in the Nordic welfare states. This article applies a similar perspective to the aims and contents of early modern Nordic popular education. Historiographically, universalism was emphasized by Egil Johansson, who recognized the…

Solubility of HCL in sulfuric acid at stratospheric temperatures

NASA Technical Reports Server (NTRS)

Williams, Leah R.; Golden, David M.

1993-01-01

The solubility of HCl in sulfuric acid was measured using a Knudsen cell technique. Effective Henry's law constants are reported for sulfuric acid concentrations between 50 and 60 weight percent and for temperatures between 220 and 230 K. The measured values indicate that very little HCl will be dissolved in the stratospheric sulfate aerosol particles.

Early Influences on Brain Architecture: An Interview with Neuroscientist Eric Knudsen. Perspectives

ERIC Educational Resources Information Center

National Scientific Council on the Developing Child, 2006

2006-01-01

Early experience has a powerful and lasting influence on how the brain develops. The physical and chemical conditions that encourage the building of a strong, adaptive brain architecture are present early in life. As brains age, a number of changes lock in the ways information is processed, making it more difficult for the brain to change to other…

DEVELOPMENTAL TOXICITY OF 2-CHLORO-2'-DEOXYADENOSINE IN THE RAT: INDUCTION OF LUMBAR HERNIA

EPA Science Inventory

DEVELOPMENTAL TOXICITY OF 2-CHLORO-2'DEOXYADENOSINE IN THE RAT: INDUCTION OF LUMBAR HERNIA. C. Lau1, M.G. Narotsky1, D. Lui1, D. Best1, R.W. Setzer2, T.B. Knudsen3. 1Reprod. Tox. Div., 2Exp. Tox. Div., NHEERL, US EPA, Research Triangle Park, NC, USA, 3Dept. Path. Anat. Cell Bio...

Preparation and Characterization of C60/Graphene Hybrid Nanostructures.

PubMed

Chen, Chuanhui; Mills, Adam; Zheng, Husong; Li, Yanlong; Tao, Chenggang

2018-05-15

Physical thermal deposition in a high vacuum environment is a clean and controllable method for fabricating novel molecular nanostructures on graphene. We present methods for depositing and passively manipulating C60 molecules on rippled graphene that advance the pursuit of realizing applications involving 1D C60/graphene hybrid structures. The techniques applied in this exposition are geared towards high vacuum systems with preparation areas capable of supporting molecular deposition as well as thermal annealing of the samples. We focus on C60 deposition at low pressure using a homemade Knudsen cell connected to a scanning tunneling microscopy (STM) system. The number of molecules deposited is regulated by controlling the temperature of the Knudsen cell and the deposition time. One-dimensional (1D) C60 chain structures with widths of two to three molecules can be prepared via tuning of the experimental conditions. The surface mobility of the C60 molecules increases with annealing temperature allowing them to move within the periodic potential of the rippled graphene. Using this mechanism, it is possible to control the transition of 1D C60 chain structures to a hexagonal close packed quasi-1D stripe structure.

Ion kinetic dynamics in strongly-shocked plasmas relevant to ICF

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rinderknecht, H. G.; Amendt, P. A.; Rosenberg, M. J.

Implosions of thin-shell capsules produce strongly-shocked (M > 10), low-density (ρ ~1 mg/cc -1), high-temperature (T i ~keV) plasmas, comparable to those produced in the strongly-shocked DT-vapor in inertial confinement fusion (ICF) experiments. A series of thin-glass targets filled with mixtures of deuterium and Helium-3 gas ranging from 7% to 100% deuterium was imploded to investigate the impact of multi-species ion kinetic mechanisms in ICF-relevant plasmas over a wide range of Knudsen numbers (N K ≡ λ ii/R). Anomalous trends in nuclear yields and burn-averaged ion temperatures in implosions with N K > 0.5, which have been interpreted as signaturesmore » of ion species separation and ion thermal decoupling, are found not to be consistent with single-species ion kinetic effects alone. Experimentally inferred Knudsen numbers predict an opposite yield trend to those observed, confirming the dominance of multi-species physics in these experiments. In contrast, implosions with N K ~ 0.01 follow the expected yield trend, suggesting single-species kinetic effects are dominant. In conclusion, the impact of the observed kinetic physics mechanisms on the formation of the hotspot in ICF experiments is discussed.« less

Ion kinetic dynamics in strongly-shocked plasmas relevant to ICF

DOE PAGES

Rinderknecht, H. G.; Amendt, P. A.; Rosenberg, M. J.; ...

2017-04-20

Implosions of thin-shell capsules produce strongly-shocked (M > 10), low-density (ρ ~1 mg/cc -1), high-temperature (T i ~keV) plasmas, comparable to those produced in the strongly-shocked DT-vapor in inertial confinement fusion (ICF) experiments. A series of thin-glass targets filled with mixtures of deuterium and Helium-3 gas ranging from 7% to 100% deuterium was imploded to investigate the impact of multi-species ion kinetic mechanisms in ICF-relevant plasmas over a wide range of Knudsen numbers (N K ≡ λ ii/R). Anomalous trends in nuclear yields and burn-averaged ion temperatures in implosions with N K > 0.5, which have been interpreted as signaturesmore » of ion species separation and ion thermal decoupling, are found not to be consistent with single-species ion kinetic effects alone. Experimentally inferred Knudsen numbers predict an opposite yield trend to those observed, confirming the dominance of multi-species physics in these experiments. In contrast, implosions with N K ~ 0.01 follow the expected yield trend, suggesting single-species kinetic effects are dominant. In conclusion, the impact of the observed kinetic physics mechanisms on the formation of the hotspot in ICF experiments is discussed.« less

A novel (ex situ) method to quantify oxygen diffusion coefficient of polymer fuel cells backing and catalyst layers

NASA Astrophysics Data System (ADS)

Baricci, Andrea; Casalegno, Andrea

2016-09-01

Limiting current density of oxygen reduction reaction in polymer electrolyte fuel cells is determined by several mass transport resistances that lower the concentration of oxygen on the catalyst active site. Among them, diffusion across porous media plays a significant role. Despite the extensive experimental activity documented in PEMFC literature, only few efforts have been dedicated to the measurement of the effective transport properties in porous layers. In the present work, a methodology for ex situ measurement of the effective diffusion coefficient and Knudsen radius of porous layers for polymer electrolyte fuel cells (gas diffusion layer, micro porous layer and catalyst layer) is described and applied to high temperature polymer fuel cells State of Art materials. Regression of the measured quantities by means of a quasi 2D physical model is performed to quantify the Knudsen effect, which is reported to account, respectively, for 30% and 50% of the mass transport resistance in micro porous layer and catalyst layer. On the other side, the model reveals that pressure gradient consequent to permeation in porous layers of high temperature polymer fuel cells has a negligible effect on oxygen concentration in relevant operating conditions.

Three-dimensional modeling of the neutral gas depletion effect in a helicon discharge plasma

NASA Astrophysics Data System (ADS)

Kollasch, Jeffrey; Schmitz, Oliver; Norval, Ryan; Reiter, Detlev; Sovinec, Carl

2016-10-01

Helicon discharges provide an attractive radio-frequency driven regime for plasma, but neutral-particle dynamics present a challenge to extending performance. A neutral gas depletion effect occurs when neutrals in the plasma core are not replenished at a sufficient rate to sustain a higher plasma density. The Monte Carlo neutral particle tracking code EIRENE was setup for the MARIA helicon experiment at UW Madison to study its neutral particle dynamics. Prescribed plasma temperature and density profiles similar to those in the MARIA device are used in EIRENE to investigate the main causes of the neutral gas depletion effect. The most dominant plasma-neutral interactions are included so far, namely electron impact ionization of neutrals, charge exchange interactions of neutrals with plasma ions, and recycling at the wall. Parameter scans show how the neutral depletion effect depends on parameters such as Knudsen number, plasma density and temperature, and gas-surface interaction accommodation coefficients. Results are compared to similar analytic studies in the low Knudsen number limit. Plans to incorporate a similar Monte Carlo neutral model into a larger helicon modeling framework are discussed. This work is funded by the NSF CAREER Award PHY-1455210.

How Serious of a Problem is Staff Turnover in Substance Abuse Treatment? A Longitudinal Study of Actual Turnover1

PubMed Central

Eby, Lillian T.; Burk, Hannah; Maher, Charleen P.

2010-01-01

In the substance abuse treatment field, the annual turnover rate is cited as being anywhere between 19 and 50 percent (Johnson & Roman, 2002; Gallon, Gabriel, & Knudsen, 2003; Knudsen et al., 2003; McLellan et al., 2003). However, no research to date has evaluated these claims by tracking turnover longitudinally using organizational turnover data from substance abuse treatment centers. This research presents the results of a longitudinal study designed to systematically examine actual turnover among counselors and clinical supervisors. Twenty-seven geographically dispersed treatment organizations, serving a wide range of clients in the public and private sector, provided data for the study over a two year time span (2008–2009). The annual turnover rate was 33.2% for counselors and 23.4% for clinical supervisors. For both groups the majority of turnover was voluntary (employee-initiated). Specific reasons for turnover were largely consistent across the two groups, with the most common reason being a new job or new opportunity. The findings are discussed in terms of the unique employment context of substance abuse treatment. Practical recommendations are also discussed to help stem the tide of turnover in the field of substance abuse treatment. PMID:20675097

A double-spike method for K-Ar measurement: A technique for high precision in situ dating on Mars and other planetary surfaces

NASA Astrophysics Data System (ADS)

Farley, K. A.; Hurowitz, J. A.; Asimow, P. D.; Jacobson, N. S.; Cartwright, J. A.

2013-06-01

A new method for K-Ar dating using a double isotope dilution technique is proposed and demonstrated. The method is designed to eliminate known difficulties facing in situ dating on planetary surfaces, especially instrument complexity and power availability. It may also have applicability in some terrestrial dating applications. Key to the method is the use of a solid tracer spike enriched in both 39Ar and 41K. When mixed with lithium borate flux in a Knudsen effusion cell, this tracer spike and a sample to be dated can be successfully fused and degassed of Ar at <1000 °C. The evolved 40Ar∗/39Ar ratio can be measured to high precision using noble gas mass spectrometry. After argon measurement the sample melt is heated to a slightly higher temperature (˜1030 °C) to volatilize potassium, and the evolved 39K/41K ratio measured by Knudsen effusion mass spectrometry. Combined with the known composition of the tracer spike, these two ratios define the K-Ar age using a single sample aliquot and without the need for extreme temperature or a mass determination. In principle the method can be implemented using a single mass spectrometer. Experiments indicate that quantitative extraction of argon from a basalt sample occurs at a sufficiently low temperature that potassium loss in this step is unimportant. Similarly, potassium isotope ratios measured in the Knudsen apparatus indicate good sample-spike equilibration and acceptably small isotopic fractionation. When applied to a flood basalt from the Viluy Traps, Siberia, a K-Ar age of 351 ± 19 Ma was obtained, a result within 1% of the independently known age. For practical reasons this measurement was made on two separate mass spectrometers, but a scheme for combining the measurements in a single analytical instrument is described. Because both parent and daughter are determined by isotope dilution, the precision on K-Ar ages obtained by the double isotope dilution method should routinely approach that of a pair of isotope ratio determinations, likely better than ±5%.

A hybrid model for computing nonthermal ion distributions in a long mean-free-path plasma

NASA Astrophysics Data System (ADS)

Tang, Xianzhu; McDevitt, Chris; Guo, Zehua; Berk, Herb

2014-10-01

Non-thermal ions, especially the suprathermal ones, are known to make a dominant contribution to a number of important physics such as the fusion reactivity in controlled fusion, the ion heat flux, and in the case of a tokamak, the ion bootstrap current. Evaluating the deviation from a local Maxwellian distribution of these non-thermal ions can be a challenging task in the context of a global plasma fluid model that evolves the plasma density, flow, and temperature. Here we describe a hybrid model for coupling such constrained kinetic calculation to global plasma fluid models. The key ingredient is a non-perturbative treatment of the tail ions where the ion Knudsen number approaches or surpasses order unity. This can be sharply constrasted with the standard Chapman-Enskog approach which relies on a perturbative treatment that is frequently invalidated. The accuracy of our coupling scheme is controlled by the precise criteria for matching the non-perturbative kinetic model to perturbative solutions in both configuration space and velocity space. Although our specific application examples will be drawn from laboratory controlled fusion experiments, the general approach is applicable to space and astrophysical plasmas as well. Work supported by DOE.

Adsorption of 2-propanol on ice probed by ambient pressure X-ray photoelectron spectroscopy

DOE PAGES

Newberg, John T.; Bluhm, Hendrik

2015-08-18

The interaction of 2-propanol with ice was examined via ambient pressure X-ray photoelectron spectroscopy (APXPS), a surface sensitive technique that probes the adsorbed 2-propanol directly with submonolayer resolution. Isothermal uptake experiments were performed on vapor deposited ice at 227 K in the presence of the equilibrium water vapor pressure of 0.05 Torr and 2-propanol partial pressures ranging from 5 × 10 -5 to 2 × 10 -3 Torr. The C 1s APXPS spectra of adsorbed 2-propanol showed two characteristic peaks associated with the C OH alcohol group and C Me methyl groups in a 1 : 2 ratio, respectively. Coveragemore » increased with 2-propanol partial pressure and followed first order Langmuir kinetics with a Langmuir constant of K = 6.3 × 10 3 Torr -1. The 1 : 2 ratio of C OH : C Me remained constant with increasing coverage, indicating there is no chemical reaction upon adsorption. The observed Langmuir kinetics using APXPS is consistent with previous observations of other small chain alcohols via indirect adsorption methods using, e.g., Knudsen cell and coated wall flow tube reactors.« less

Knudsen pump inspired by Crookes radiometer with a specular wall

NASA Astrophysics Data System (ADS)

Baier, Tobias; Hardt, Steffen; Shahabi, Vahid; Roohi, Ehsan

2017-03-01

A rarefied gas is considered in a channel consisting of two infinite parallel plates between which an evenly spaced array of smaller plates is arranged normal to the channel direction. Each of these smaller plates is assumed to possess one ideally specularly reflective and one ideally diffusively reflective side. When the temperature of the small plates differs from the temperature of the sidewalls of the channel, these boundary conditions result in a temperature profile around the edges of each small plate that breaks the reflection symmetry along the channel direction. This in turn results in a force on each plate and a net gas flow along the channel. The situation is analyzed numerically using the direct simulation Monte Carlo method and compared with analytical results where available. The influence of the ideally specularly reflective wall is assessed by comparing with simulations using a finite accommodation coefficient at the corresponding wall. The configuration bears some similarity to a Crookes radiometer, where a nonsymmetric temperature profile at the radiometer vanes is generated by different temperatures on each side of the vane, resulting in a motion of the rotor. The described principle may find applications in pumping gas on small scales driven by temperature gradients.

Developing an Effective Model for Shale Gas Flow in Nano-scale Pore Clusters based on FIB-SEM Images

NASA Astrophysics Data System (ADS)

Jiang, W. B.; Lin, M.; Yi, Z. X.; Li, H. S.

2016-12-01

Nano-scale pores existed in the form of clusters are the controlling void space in shale gas reservoir. Gas transport in nanopores which has a significant influence on shale gas' recoverability displays multiple transport regimes, including viscous, slippage flow and Knudsen diffusion. In addition, it is also influenced by pore space characteristics. For convenience and efficiency consideration, it is necessary to develop an upscaling model from nano pore to pore cluster scale. Existing models are more like framework functions that provide a format, because the parameters that represent pore space characteristics are underdetermined and may have multiple possibilities. Therefore, it is urgent to make them clear and obtained a model that is closer to reality. FIB-SEM imaging technology is able to acquire three dimensional images with nanometer resolution that nano pores can be visible. Based on the images of two shale samples, we used a high-precision pore network extraction algorithm to generate equivalent pore networks and simulate multiple regime (non-Darcy) flow in it. Several structural parameters can be obtained through pore network modelling. It is found that although the throat-radius distributions are very close, throat flux-radius distributions of different samples can be divided into two categories. The variation of tortuosity with pressure and the overall trend of throat-flux distribution changes with pressure are disclosed. A deeper understanding of shale gas flow in nano-scale pore clusters is obtained. After all, an upscaling model that connects absolute permeability, apparent permeability and other characteristic parameters is proposed, and the best parameter scheme considering throat number-radius distribution and flowing porosity for this model is selected out of three schemes based on pore scale results, and it can avoid multiple-solution problem and is useful in reservoir modelling and experiment result analysis, etc. This work is supported by the Strategic Priority Research Program of the Chinese Academy of Sciences (XDB10020302), the National Natural Science Foundation of China (41574129), the Key Instrument Developing Project of the CAS (ZDYZ2012-1-08-02), the 973 Program (2014CB239004).

An Image-based Micro-continuum Pore-scale Model for Gas Transport in Organic-rich Shale

NASA Astrophysics Data System (ADS)

Guo, B.; Tchelepi, H.

2017-12-01

Gas production from unconventional source rocks, such as ultra-tight shales, has increased significantly over the past decade. However, due to the extremely small pores ( 1-100 nm) and the strong material heterogeneity, gas flow in shale is still not well understood and poses challenges for predictive field-scale simulations. In recent years, digital rock analysis has been applied to understand shale gas transport at the pore-scale. An issue with rock images (e.g. FIB-SEM, nano-/micro-CT images) is the so-called "cutoff length", i.e., pores and heterogeneities below the resolution cannot be resolved, which leads to two length scales (resolved features and unresolved sub-resolution features) that are challenging for flow simulations. Here we develop a micro-continuum model, modified from the classic Darcy-Brinkman-Stokes framework, that can naturally couple the resolved pores and the unresolved nano-porous regions. In the resolved pores, gas flow is modeled with Stokes equation. In the unresolved regions where the pore sizes are below the image resolution, we develop an apparent permeability model considering non-Darcy flow at the nanoscale including slip flow, Knudsen diffusion, adsorption/desorption, surface diffusion, and real gas effect. The end result is a micro-continuum pore-scale model that can simulate gas transport in 3D reconstructed shale images. The model has been implemented in the open-source simulation platform OpenFOAM. In this paper, we present case studies to demonstrate the applicability of the model, where we use 3D segmented FIB-SEM and nano-CT shale images that include four material constituents: organic matter, clay, granular mineral, and pore. In addition to the pore structure and the distribution of the material constituents, we populate the model with experimental measurements (e.g. size distribution of the sub-resolution pores from nitrogen adsorption) and parameters from the literature and identify the relative importance of different physics on gas production. Overall, the micro-continuum model provides a novel tool for digital rock analysis of organic-rich shale.

Use of an Accurate DNS Particulate Flow Method to Supply and Validate Boundary Conditions for the MFIX Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhi-Gang Feng

2012-05-31

The simulation of particulate flows for industrial applications often requires the use of two-fluid models, where the solid particles are considered as a separate continuous phase. One of the underlining uncertainties in the use of the two-fluid models in multiphase computations comes from the boundary condition of the solid phase. Typically, the gas or liquid fluid boundary condition at a solid wall is the so called no-slip condition, which has been widely accepted to be valid for single-phase fluid dynamics provided that the Knudsen number is low. However, the boundary condition for the solid phase is not well understood. Themore » no-slip condition at a solid boundary is not a valid assumption for the solid phase. Instead, several researchers advocate a slip condition as a more appropriate boundary condition. However, the question on the selection of an exact slip length or a slip velocity coefficient is still unanswered. Experimental or numerical simulation data are needed in order to determinate the slip boundary condition that is applicable to a two-fluid model. The goal of this project is to improve the performance and accuracy of the boundary conditions used in two-fluid models such as the MFIX code, which is frequently used in multiphase flow simulations. The specific objectives of the project are to use first principles embedded in a validated Direct Numerical Simulation particulate flow numerical program, which uses the Immersed Boundary method (DNS-IB) and the Direct Forcing scheme in order to establish, modify and validate needed energy and momentum boundary conditions for the MFIX code. To achieve these objectives, we have developed a highly efficient DNS code and conducted numerical simulations to investigate the particle-wall and particle-particle interactions in particulate flows. Most of our research findings have been reported in major conferences and archived journals, which are listed in Section 7 of this report. In this report, we will present a brief description of these results.« less

Vaporization behavior of an alkyl diphenyl ether and a commercial lubricant

DOE Office of Scientific and Technical Information (OSTI.GOV)

McMurray, Jake W.; Frame, Barbara J.; Voit, Stewart L.

The equilibrium vapor pressure as a function of temperature for an alkyl diphenyl ether with a vaporization coefficient significantly smaller than unity was characterized using the combined Langmuir free evaporation and mass loss Knudsen effusion technique. Results are compared using different cell designs and discrepancies, difficulties, and complications are discussed. In conclusion, the enthalpy and entropy of vaporization are estimated using the average temperature of the measurements.

Gas phase fractionation method using porous ceramic membrane

DOEpatents

Peterson, Reid A.; Hill, Jr., Charles G.; Anderson, Marc A.

1996-01-01

Flaw-free porous ceramic membranes fabricated from metal sols and coated onto a porous support are advantageously used in gas phase fractionation methods. Mean pore diameters of less than 40 .ANG., preferably 5-20 .ANG. and most preferably about 15 .ANG., are permeable at lower pressures than existing membranes. Condensation of gases in small pores and non-Knudsen membrane transport mechanisms are employed to facilitate and increase membrane permeability and permselectivity.

Vaporization behavior of an alkyl diphenyl ether and a commercial lubricant

DOE PAGES

McMurray, Jake W.; Frame, Barbara J.; Voit, Stewart L.

2018-05-24

The equilibrium vapor pressure as a function of temperature for an alkyl diphenyl ether with a vaporization coefficient significantly smaller than unity was characterized using the combined Langmuir free evaporation and mass loss Knudsen effusion technique. Results are compared using different cell designs and discrepancies, difficulties, and complications are discussed. In conclusion, the enthalpy and entropy of vaporization are estimated using the average temperature of the measurements.

Peacetime Industrial Preparedness for Wartime Ammunition Production

DTIC Science & Technology

1980-09-01

Production Board under the chairmanship of merchandising executive, Robert Nelson, and the apppointment of William Knudsen, President of General Motors, as...p. 78. 28. William K. Naylor, The Marne Miracle (Washington, DC: US Infantry Association, 1932), pp. 191-92. 29. Barbara W. Tuchman, The Guns of...Services. Hearings before the Preparedenss Subcommittee No. 2. 83d Cong., 1st sess., 1953, p. 460. 66. William O. Reeder, "The Korean Ammunition Shortage

Uptake and Dissolution of Gaseous Ethanol in Sulfuric Acid

NASA Technical Reports Server (NTRS)

Michelsen, Rebecca R.; Staton, Sarah J. R.; Iraci, Laura T.

2006-01-01

The solubility of gas-phase ethanol (ethyl alcohol, CH3CH2OH, EtOH) in aqueous sulfuric acid solutions was measured in a Knudsen cell reactor over ranges of temperature (209-237 K) and acid composition (39-76 wt % H2SO4). Ethanol is very soluble under these conditions: effective Henry's law coefficients, H*, range from 4 x 10(exp 4) M/atm in the 227 K, 39 wt % acid to greater than 10(exp 7) M/atm in the 76 wt % acid. In 76 wt % sulfuric acid, ethanol solubility exceeds that which can be precisely determined using the Knudsen cell technique but falls in the range of 10(exp 7)-10(exp 10) M/atm. The equilibrium concentration of ethanol in upper tropospheric/lower stratospheric (UT/LS) sulfate particles is calculated from these measurements and compared to other small oxygenated organic compounds. Even if ethanol is a minor component in the gas phase, it may be a major constituent of the organic fraction in the particle phase. No evidence for the formation of ethyl hydrogen sulfate was found under our experimental conditions. While the protonation of ethanol does augment solubility at higher acidity, the primary reason H* increases with acidity is an increase in the solubility of molecular (i.e., neutral) ethanol.

Thermophoresis of a spherical particle: Modeling through moment-based, macroscopic transport equations

NASA Astrophysics Data System (ADS)

Padrino, Juan C.; Sprittles, James; Lockerby, Duncan

2017-11-01

Thermophoresis refers to the forces on and motions of objects caused by temperature gradients when these objects are exposed to rarefied gases. This phenomenon can occur when the ratio of the gas mean free path to the characteristic physical length scale (Knudsen number) is not negligible. In this work, we obtain the thermophoretic force on a rigid, heat-conducting spherical particle immersed in a rarefied gas resulting from a uniform temperature gradient imposed far from the sphere. To this end, we model the gas dynamics using the steady, linearized version of the so-called regularized 13-moment equations (R13). This set of equations, derived from the Boltzmann equation using the moment method, provides closures to the mass, momentum, and energy conservation laws in the form of constitutive, transport equations for the stress and heat flux that extends the Navier-Stokes-Fourier model to include rarefaction effects. Integration of the pressure and stress on the surface of the sphere leads to the net force as a function of the Knudsen number, dimensionless temperature gradient, and particle-to-gas thermal conductivity ratio. Results from this expression are compared with predictions from other moment-based models as well as from kinetic models. Supported in the UK by the Engineering and Physical Sciences Research Council (EP/N016602/1).

A paradigm for modeling and computation of gas dynamics

NASA Astrophysics Data System (ADS)

Xu, Kun; Liu, Chang

2017-02-01

In the continuum flow regime, the Navier-Stokes (NS) equations are usually used for the description of gas dynamics. On the other hand, the Boltzmann equation is applied for the rarefied flow. These two equations are based on distinguishable modeling scales for flow physics. Fortunately, due to the scale separation, i.e., the hydrodynamic and kinetic ones, both the Navier-Stokes equations and the Boltzmann equation are applicable in their respective domains. However, in real science and engineering applications, they may not have such a distinctive scale separation. For example, around a hypersonic flying vehicle, the flow physics at different regions may correspond to different regimes, where the local Knudsen number can be changed significantly in several orders of magnitude. With a variation of flow physics, theoretically a continuous governing equation from the kinetic Boltzmann modeling to the hydrodynamic Navier-Stokes dynamics should be used for its efficient description. However, due to the difficulties of a direct modeling of flow physics in the scale between the kinetic and hydrodynamic ones, there is basically no reliable theory or valid governing equations to cover the whole transition regime, except resolving flow physics always down to the mean free path scale, such as the direct Boltzmann solver and the Direct Simulation Monte Carlo (DSMC) method. In fact, it is an unresolved problem about the exact scale for the validity of the NS equations, especially in the small Reynolds number cases. The computational fluid dynamics (CFD) is usually based on the numerical solution of partial differential equations (PDEs), and it targets on the recovering of the exact solution of the PDEs as mesh size and time step converging to zero. This methodology can be hardly applied to solve the multiple scale problem efficiently because there is no such a complete PDE for flow physics through a continuous variation of scales. For the non-equilibrium flow study, the direct modeling methods, such as DSMC, particle in cell, and smooth particle hydrodynamics, play a dominant role to incorporate the flow physics into the algorithm construction directly. It is fully legitimate to combine the modeling and computation together without going through the process of constructing PDEs. In other words, the CFD research is not only to obtain the numerical solution of governing equations but to model flow dynamics as well. This methodology leads to the unified gas-kinetic scheme (UGKS) for flow simulation in all flow regimes. Based on UGKS, the boundary for the validation of the Navier-Stokes equations can be quantitatively evaluated. The combination of modeling and computation provides a paradigm for the description of multiscale transport process.

Molecular Characterization of the Gas-Particle Interface of Soot Sampled from a Diesel Engine Using a Titration Method.

PubMed

Tapia, A; Salgado, M S; Martín, María Pilar; Lapuerta, M; Rodríguez-Fernández, J; Rossi, M J; Cabañas, B

2016-03-15

Surface functional groups of two different types of combustion aerosols, a conventional diesel (EN 590) and a hydrotreated vegetable oil (HVO) soot, have been investigated using heterogeneous chemistry (i.e., gas-particle surface reactions). A commercial sample of amorphous carbon (Printex XE2-B) was analyzed as a reference substrate. A Knudsen flow reactor was used to carry out the experiments under molecular flow conditions. The selected gases for the titration experiments were: N(CH3)3 for the identification of acidic sites, NH2OH for the presence of carbonyl groups, CF3COOH and HCl for basic sites of different strength, and O3 and NO2 for reducing groups. Reactivity with N(CH3)3 indicates a lower density of acidic functionalities for Printex XE2-B in relation to diesel and HVO soot. Results for NH2OH experiments indicates that commercial amorphous carbon exhibits a lower abundance of available carbonyl groups at the interface compared to the results from diesel and HVO soot, the latter being the one with the largest abundance of carbonyl functions. Reactions with acids indicate the presence of weak basic oxides on the particle surface that preferentially interact with the strong acid CF3COOH. Finally, reactions with O3 and NO2 reveal that diesel and especially HVO have a significantly higher reactivity with both oxidizers compared to that of Printex XE2-B because they have more reducing sites by roughly a factor of 10 and 30, respectively. The kinetics of titration reactions have also been investigated.

Numerical solution of fractured horizontal wells in shale gas reservoirs considering multiple transport mechanisms

NASA Astrophysics Data System (ADS)

Zhao, Yu-long; Tang, Xu-chuan; Zhang, Lie-hui; Tang, Hong-ming; Tao, Zheng-Wu

2018-06-01

The multiscale pore size and specific gas storage mechanism in organic-rich shale gas reservoirs make gas transport in such reservoirs complicated. Therefore, a model that fully incorporates all transport mechanisms and employs an accurate numerical method is urgently needed to simulate the gas production process. In this paper, a unified model of apparent permeability was first developed, which took into account multiple influential factors including slip flow, Knudsen diffusion (KD), surface diffusion, effects of the adsorbed layer, permeability stress sensitivity, and ad-/desorption phenomena. Subsequently, a comprehensive mathematical model, which included the model of apparent permeability, was derived to describe gas production behaviors. Thereafter, on the basis of unstructured perpendicular bisection grids and finite volume method, a fully implicit numerical simulator was developed using Matlab software. The validation and application of the new model were confirmed using a field case reported in the literature. Finally, the impacts of related influencing factors on gas production were analyzed. The results showed that KD resulted in a negligible impact on gas production in the proposed model. The smaller the pore size was, the more obvious the effects of the adsorbed layer on the well production rate would be. Permeability stress sensitivity had a slight effect on well cumulative production in shale gas reservoirs. Adsorbed gas made a major contribution to the later flow period of the well; the greater the adsorbed gas content, the greater the well production rate would be. This paper can improve the understanding of gas production in shale gas reservoirs for petroleum engineers.

Committees

NASA Astrophysics Data System (ADS)

2010-01-01

INTERNATIONAL ADVISORY COMMITTEE FOR POSITRON WORKSHOP Roberto S Brusa (Italy) Michael Charlton (UK) Arnab S Ghosh (India) Franco A Gianturco (Italy) Gleb F Gribakin (UK) John Humberston (UK) Helge Knudsen (Denmark) Akos Kover (Hungary) Gaetana Laricchia (UK) Marco AP Lima (Brazil) Allen Mills (USA) Yasuyuki Nagashima (Japan) Clifford M Surko (USA) James Walters (UK) Sandra Ward (USA) LOCAL ORGANIZING COMMITTEE FOR POSITRON WORKSHOP Radu I Campeanu (York, Chairman) Jurij W Darewych (York) Allan D Stauffer (York) Cody Storry (York)

Numerical study of radiometric forces via the direct solution of the Boltzmann kinetic equation

NASA Astrophysics Data System (ADS)

Anikin, Yu. A.

2011-07-01

The two-dimensional rarefied gas motion in a Crookes radiometer and the resulting radiometric forces are studied by numerically solving the Boltzmann kinetic equation. The collision integral is directly evaluated using a projection method, and second-order accurate TVD schemes are used to solve the advection equation. The radiometric forces are found as functions of the Knudsen number and the temperatures, and their spatial distribution is analyzed.

Velocity dependence of biphasic flow structuration: steady-state and oscillating flow effects

NASA Astrophysics Data System (ADS)

Tore Tallakstad, Ken; Jankov, Mihailo; Løvoll, Grunde; Toussaint, Renaud; Jørgen Mâløy, Knut; Grude Flekkøy, Eirik; Schmittbuhl, Jean; Schäfer, Gerhard; Méheust, Yves; Arendt Knudsen, Henning

2010-05-01

We study various types of biphasic flows in quasi-two-dimensional transparent porous models. These flows imply a viscous wetting fluid, and a lowly viscous one. The models are transparent, allowing the displacement process and structure to be monitored in space and time. Three different aspects will be presented: 1. In stationary biphasic flows, we study the relationship between the macroscopic pressure drop (related to relative permeability) and the average flow rate, and how this arises from the cluster size distribution of the lowly viscous fluid [1]. 2. In drainage situations, we study how the geometry of the invader can be explained, and how it gives rise to apparent dynamic capillary effects. We show how these can be explained by viscous effects on evolving geometries of invading fluid [2]. 3. We study the impact of oscillating pressure fields superimposed to a background flow over the flow regimes patterns [3]. Steady-State Two-Phase Flow in Porous Media: Statistics and Transport Properties. First, in stationary flow with a control of the flux of both fluids, we show how the pressure drop depends on the flow rate. We will show that the dynamics is dominated by the interplay between a viscous pressure field from the wetting fluid and bubble transport of a less viscous, nonwetting phase. In contrast with more studied displacement front systems, steady-state flow is in equilibrium, statistically speaking. The corresponding theoretical simplicity allows us to explain a data collapse in the cluster size distribution of lowly viscous fluid in the system, as well as the relation |?P|∞√Ca--. This allows to explain so called relative permeability effects by the morphological changes of the cluster size distribution. Influence of viscous fingering on dynamic saturation-pressure curves in porous media. Next, we study drainage in such models, and investigate the relationship between the pressure field and the morphology of the invading fluid. This allows to model the impact of the saturation changes in the system over the pressure difference between the wetting and non wetting phase. We show that the so-called dynamic effects referred in the hydrology literature of experimentally measured capillary pressure curves might be explained by the combined effect of capillary pressure along the invasion front of the gaseous phase and pressure changes caused by viscous effects. A detailed study of the structure optically followed shows that the geometry of the invader is self-similar with two different behaviors at small and large scales: the structure corresponds to the ones of invasion percolation models at small scales (capillary fingering structures with fractal dimension D=1.83), whereas at large scales, viscous pressure drops dominate over the capillary threshold variations, and the structures are self-similar fingering structures with a fractal dimension corresponding to Dielectric Breakdown Models (variants of the DLA model), with D ≠ƒ 1.5. The cross-over scale is set by the scale at which capillary fluctuations are of the order of the viscous pressure drops. This leads physically to the fact that cross-over scale between the two fingering dimensions, goes like the inverse of the capillary number. This study utilizes these geometrical characteristics of the viscous fingers forming in dynamic drainage, to obtain a meaningfull scaling law for the saturation-pressure curve at finite speed, i.e. the so-called dynamic capillary pressure relations. We thus show how the micromechanical interplay between viscous and capillary forces leads to some pattern formation, which results in a general form of dynamic capillary pressure relations. By combining these detailed informations on the displacement structure with global measures of pressure, saturation and controlling the capillary number Ca, a scaling relation relating pressure, saturation, system size and capillary number is developed. By applying this scaling relation, pressure-saturation curves for a wide range of capillary numbers can be collapsed. Effects of pressure oscillations on drainage in an elastic porous medium: The effects of seismic stimulation on the flow of two immiscible fluids in an elastic synthetic porous medium is experimentally investigated. A wetting fluid is slowly evacuated from the medium, while a pressure oscillation is applied on the injected non-wetting fluid. The amplitude and frequency of the pressure oscillations as well as the evacuation speed are kept constant throughout an experiment. The resulting morphology of the invading structure is found to be strongly dependent on the interplay between the amplitude and the frequency of the applied pressure oscillations and the elasticity of the porous medium. Different combinations of these properties yield morphologically similar structures, allowing a classification of structures that is found to depend on a proposed dimensionless number. [1] Tallakstad, K.T., H.A. Knudsen, T. Ramstad, G. Løvoll, K.J. Maløy, R. Toussaint and E.G. Flekkøy , Steady-state two-phase flow in porous media: statistics and transport properties, Phys. Rev. Lett. 102, 074502 (2009). doi:10.1103/PhysRevLett.102.074502 [2] Løvoll, G., M. Jankov, K.J. Maløy, R. Toussaint, J. Schmittbuhl, G. Schaefer and Y. Ḿ eheust, Influence of viscous fingering on dynamic saturation-pressure curves in porous media, submitted to Transport In Porous Media, (2010) [3] Jankov, M., G. Løvoll, H.A. Knudsen, K.J. Maløy, R. Planet, R. Toussaint and E.G. Flekkøy; Effects of pressure oscillations on drainage in an elastic porous medium, Transport In Porous Media, in press (2010).

Department of Defense Atlas/Data Abstract for the United States and Selected Areas. Fiscal Year 1992

DTIC Science & Technology

1993-01-01

PUBLICATION IS DIOR/L-03-92, TABLE OF CONTENTS Page INTRODUCTION ........................................................... 2 MAPS AND STATISTICAL...Mexico (NH) 32 80 New York (NY) 33 82 North Carolina (NC) 34 84 North Dakota (ND) 35 86 Ohio (OH) 36 88 TABLE OF CONTENTS (Continued) State/Area Map...ZIMMERMIANN BASIL CORP JV 34,679 Operation/Ammunition Facilities 34,679 3. MORRISON KNUDSEN CORP 30,923 Facilities Operations Support Services 30,923 4

Experimental Investigation of Hydrodynamic Self-Acting Gas Bearings at High Knudsen Numbers.

DTIC Science & Technology

1980-07-01

Reynolds equation. Two finite - difference algorithms were used to solve the equation. Numerical results - the predicted load and pitch angle - from the two...that should be used. The majority of the numerical solution are still based on the finite difference approximation of the governing equation. But in... finite difference method. Reddi and Chu [26) also noted that it is very difficult to compare the two techniques on the same level since the solution

Steady states of a diode with counterstreaming electron and positron beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ender, A. Ya.; Kuznetsov, V. I., E-mail: victor.kuznetsov@mail.ioffe.ru; Gruzdev, A. A.

2016-10-15

Steady states of a plasma layer with counterstreaming beams of oppositely charged particles moving without collisions in a self-consistent electric field are analyzed. The study is aimed at clarifying the mechanism of generation and reconstruction of pulsar radiation. Such a layer also models the processes occurring in Knudsen plasma diodes with counterstreaming electron and ion beams. The steady-state solutions are exhaustively classified. The existence of several solutions at the same external parameters is established.

Generalized hydrodynamic transport in lattice-gas automata

NASA Technical Reports Server (NTRS)

Luo, Li-Shi; Chen, Hudong; Chen, Shiyi; Doolen, Gary D.; Lee, Yee-Chun

1991-01-01

The generalized hydrodynamics of two-dimensional lattice-gas automata is solved analytically in the linearized Boltzmann approximation. The dependence of the transport coefficients (kinematic viscosity, bulk viscosity, and sound speed) upon wave number k is obtained analytically. Anisotropy of these coefficients due to the lattice symmetry is studied for the entire range of wave number, k. Boundary effects due to a finite mean free path (Knudsen layer) are analyzed, and accurate comparisons are made with lattice-gas simulations.

Munitions Test Area and Incendiary Drop Site, Site 36-2, Data Addendum, Phase 2.

DTIC Science & Technology

1988-09-01

MUNITIONS TEST AREA AND INCENDIARY DROP SITE (NI September 1988 Contract Number DAAK11-84-D-0016 | • (Version 3.1) Environmental Science And Engineering, Inc...SITE, September 1988 Contract Number DAAK11-84-D-0016 (Version 3.1)I PREPARED BY ENVIRONMENTAL SCIENCE AND ENGINEERING, INC. Harding Lawson Associates I...the Program Managers Office (PMO). Environmental Science and Engineering (ESE), Morrison-Knudsen Engineers (MKE), and Harding Lawson Associates (HLA

Steady states of a diode with counterstreaming electron and positron beams

NASA Astrophysics Data System (ADS)

Ender, A. Ya.; Kuznetsov, V. I.; Gruzdev, A. A.

2016-10-01

Steady states of a plasma layer with counterstreaming beams of oppositely charged particles moving without collisions in a self-consistent electric field are analyzed. The study is aimed at clarifying the mechanism of generation and reconstruction of pulsar radiation. Such a layer also models the processes occurring in Knudsen plasma diodes with counterstreaming electron and ion beams. The steady-state solutions are exhaustively classified. The existence of several solutions at the same external parameters is established.

Expressions for the Evaporation and Condensation Coefficients in the Hertz-Knudsen Relation.

PubMed

Persad, Aaron H; Ward, Charles A

2016-07-27

Although the Hertz-Knudsen (HK) relation is often used to correlate evaporation data, the relation contains two empirical parameters (the evaporation and condensation coefficients) that have inexplicably been found to span 3 orders of magnitude. Explicit expressions for these coefficients have yet to be determined. This review will examine sources of error in the HK relation that have led to the coefficients' scatter. Through an examination of theoretical, experimental, and molecular dynamics simulation studies of evaporation, this review will show that the HK relation is incomplete, since it is missing an important physical concept: the coupling between the vapor and liquid phases during evaporation. The review also examines a modified HK relation, obtained from the quantum-mechanically based statistical rate theory (SRT) expression for the evaporation flux and applying a limit to it in which the thermal energy is dominant. Explicit expressions for the evaporation and condensation coefficients are defined in this limit, with the surprising result that the coefficients are not bounded by unity. An examination is made with 127 reported evaporation experiments of water and of ethanol, leading to a new physical interpretation of the coefficients. The review concludes by showing how seemingly small simplifications, such as assuming thermal equilibrium across the liquid-vapor interface during evaporation, can lead to the erroneous predictions from the HK relation that have been reported in the literature.

Ion-kinetic simulations of D- 3He gas-filled inertial confinement fusion target implosions with moderate to large Knudsen number

DOE PAGES

Larroche, O.; Rinderknecht, H. G.; Rosenberg, M. J.; ...

2016-01-06

Experiments designed to investigate the transition to non-collisional behavior in D 3He-gas inertial confinement fusion target implosions display increasingly large discrepancies with respect to simulations by standard hydrodynamics codes as the expected ion mean-free-paths λ c increase with respect to the target radius R (i.e., when the Knudsen number N K = λ c/R grows). To take properly into account large N K's, multi-ion-species Vlasov-Fokker-Planck computations of the inner gas in the capsules have been performed, for two different values of N K, one moderate and one large. The results, including nuclear yield, reactivity-weighted ion temperatures, nuclear emissivities, and surfacemore » brightness, have been compared with the experimental data and with the results of hydrodynamical simulations, some of which include an ad hocmodeling of kinetic effects. The experimental results are quite accurately rendered by the kinetic calculations in the smaller-N K case, much better than by the hydrodynamical calculations. The kinetic effects at play in this case are thus correctly understood. However, in the higher-N K case, the agreement is much worse. Furthermore, the remaining discrepancies are shown to arise from kinetic phenomena (e.g., inter-species diffusion) occurring at the gas-pusher interface, which should be investigated in the future work.« less

How serious of a problem is staff turnover in substance abuse treatment? A longitudinal study of actual turnover.

PubMed

Eby, Lillian T; Burk, Hannah; Maher, Charleen P

2010-10-01

In the substance abuse treatment field, the annual turnover rate is cited as being anywhere between 19% and 50% (J.A. Johnson & P.M. Roman, 2002; S.L. Gallon, R.M. Gabriel, J.R.W. Knudsen, 2003; H.K. Knudsen, J.A. Johnson, & P.M. Roman, 2003; A.T. McLellan, D. Carise, & H.D. Kleber, 2003). However, no research to date has evaluated these claims by tracking turnover longitudinally using organizational turnover data from substance abuse treatment centers. This research presents the results of a longitudinal study designed to systematically examine actual turnover among counselors and clinical supervisors. Twenty-seven geographically dispersed treatment organizations, serving a wide range of clients in the public and private sector, provided data for the study over a 2-year time span (2008-2009). The annual turnover rate was 33.2% for counselors and 23.4% for clinical supervisors. For both groups, the majority of turnover was voluntary (employee-initiated). Specific reasons for turnover were largely consistent across the two groups, with the most common reason being a new job or new opportunity. The findings are discussed in terms of the unique employment context of substance abuse treatment. Practical recommendations are also discussed to help stem the tide of turnover in the field of substance abuse treatment. Copyright (c) 2010 Elsevier Inc. All rights reserved.

On the compressible Taylor?Couette problem

NASA Astrophysics Data System (ADS)

Manela, A.; Frankel, I.

We consider the linear temporal stability of a Couette flow of a Maxwell gas within the gap between a rotating inner cylinder and a concentric stationary outer cylinder both maintained at the same temperature. The neutral curve is obtained for arbitrary Mach (Ma) and arbitrarily small Knudsen (Kn) numbers by use of a continuum model and is verified via comparison to direct simulation Monte Carlo results. At subsonic rotation speeds we find, for the radial ratios considered here, that the neutral curve nearly coincides with the constant-Reynolds-number curve pertaining to the critical value for the onset of instability in the corresponding incompressible-flow problem. With increasing Mach number, transition is deferred to larger Reynolds numbers. It is remarkable that for a fixed Reynolds number, instability is always eventually suppressed beyond some supersonic rotation speed. To clarify this we examine the variation with increasing (Ma) of the reference Couette flow and analyse the narrow-gap limit of the compressible TC problem. The results of these suggest that, as in the incompressible problem, the onset of instability at supersonic speeds is still essentially determined through the balance of inertial and viscous-dissipative effects. Suppression of instability is brought about by increased rates of dissipation associated with the elevated bulk-fluid temperatures occurring at supersonic speeds. A useful approximation is obtained for the neutral curve throughout the entire range of Mach numbers by an adaptation of the familiar incompressible stability criteria with the critical Reynolds (or Taylor) numbers now based on average fluid properties. The narrow-gap analysis further indicates that the resulting approximate neutral curve obtained in the (Ma, Kn) plane consists of two branches: (i) the subsonic part corresponding to a constant ratio (Ma/Kn) (i.e. a constant critical Reynolds number) and (ii) a supersonic branch which at large Ma values corresponds to a constant product Ma Kn. Finally, our analysis helps to resolve some conflicting views in the literature regarding apparently destabilizing compressibility effects.

Study of gas production from shale reservoirs with multi-stage hydraulic fracturing horizontal well considering multiple transport mechanisms.

PubMed

Guo, Chaohua; Wei, Mingzhen; Liu, Hong

2018-01-01

Development of unconventional shale gas reservoirs (SGRs) has been boosted by the advancements in two key technologies: horizontal drilling and multi-stage hydraulic fracturing. A large number of multi-stage fractured horizontal wells (MsFHW) have been drilled to enhance reservoir production performance. Gas flow in SGRs is a multi-mechanism process, including: desorption, diffusion, and non-Darcy flow. The productivity of the SGRs with MsFHW is influenced by both reservoir conditions and hydraulic fracture properties. However, rare simulation work has been conducted for multi-stage hydraulic fractured SGRs. Most of them use well testing methods, which have too many unrealistic simplifications and assumptions. Also, no systematical work has been conducted considering all reasonable transport mechanisms. And there are very few works on sensitivity studies of uncertain parameters using real parameter ranges. Hence, a detailed and systematic study of reservoir simulation with MsFHW is still necessary. In this paper, a dual porosity model was constructed to estimate the effect of parameters on shale gas production with MsFHW. The simulation model was verified with the available field data from the Barnett Shale. The following mechanisms have been considered in this model: viscous flow, slip flow, Knudsen diffusion, and gas desorption. Langmuir isotherm was used to simulate the gas desorption process. Sensitivity analysis on SGRs' production performance with MsFHW has been conducted. Parameters influencing shale gas production were classified into two categories: reservoir parameters including matrix permeability, matrix porosity; and hydraulic fracture parameters including hydraulic fracture spacing, and fracture half-length. Typical ranges of matrix parameters have been reviewed. Sensitivity analysis have been conducted to analyze the effect of the above factors on the production performance of SGRs. Through comparison, it can be found that hydraulic fracture parameters are more sensitive compared with reservoir parameters. And reservoirs parameters mainly affect the later production period. However, the hydraulic fracture parameters have a significant effect on gas production from the early period. The results of this study can be used to improve the efficiency of history matching process. Also, it can contribute to the design and optimization of hydraulic fracture treatment design in unconventional SGRs.

Study of gas production from shale reservoirs with multi-stage hydraulic fracturing horizontal well considering multiple transport mechanisms

PubMed Central

Wei, Mingzhen; Liu, Hong

2018-01-01

Development of unconventional shale gas reservoirs (SGRs) has been boosted by the advancements in two key technologies: horizontal drilling and multi-stage hydraulic fracturing. A large number of multi-stage fractured horizontal wells (MsFHW) have been drilled to enhance reservoir production performance. Gas flow in SGRs is a multi-mechanism process, including: desorption, diffusion, and non-Darcy flow. The productivity of the SGRs with MsFHW is influenced by both reservoir conditions and hydraulic fracture properties. However, rare simulation work has been conducted for multi-stage hydraulic fractured SGRs. Most of them use well testing methods, which have too many unrealistic simplifications and assumptions. Also, no systematical work has been conducted considering all reasonable transport mechanisms. And there are very few works on sensitivity studies of uncertain parameters using real parameter ranges. Hence, a detailed and systematic study of reservoir simulation with MsFHW is still necessary. In this paper, a dual porosity model was constructed to estimate the effect of parameters on shale gas production with MsFHW. The simulation model was verified with the available field data from the Barnett Shale. The following mechanisms have been considered in this model: viscous flow, slip flow, Knudsen diffusion, and gas desorption. Langmuir isotherm was used to simulate the gas desorption process. Sensitivity analysis on SGRs’ production performance with MsFHW has been conducted. Parameters influencing shale gas production were classified into two categories: reservoir parameters including matrix permeability, matrix porosity; and hydraulic fracture parameters including hydraulic fracture spacing, and fracture half-length. Typical ranges of matrix parameters have been reviewed. Sensitivity analysis have been conducted to analyze the effect of the above factors on the production performance of SGRs. Through comparison, it can be found that hydraulic fracture parameters are more sensitive compared with reservoir parameters. And reservoirs parameters mainly affect the later production period. However, the hydraulic fracture parameters have a significant effect on gas production from the early period. The results of this study can be used to improve the efficiency of history matching process. Also, it can contribute to the design and optimization of hydraulic fracture treatment design in unconventional SGRs. PMID:29320489

Solid-gas phase equilibria and thermodynamic properties of cadmium selenide.

NASA Technical Reports Server (NTRS)

Sigai, A. G.; Wiedemeier, H.

1972-01-01

Accurate vapor pressures are determined through direct weight loss measurements using the Knudsen effusion technique. The experimental data are evaluated by establishing the mode of vaporization and determining the heat capacity of cadmium selenide at elevated temperatures. Additional information is obtained through a second- and third-law evaluation of data, namely, the heat of formation and the absolute entropy of cadmium selenide. A preferential loss of selenium during the initial heating of CdSe is observed, which leads to a deviation in stoichiometry.

The Hinge Region as a Key Regulatory Element of Androgen Receptor Dimerization, DNA Binding, and Transactivation

DTIC Science & Technology

2005-05-01

an impaired activity (see report of 2003). We obtained an EGFP fusion from Dr. Karen Knudsen (Ohio University, Cincinatti) in which a Gly-Ala linker ... Smad3 after its acetylation. The mutation of this lysine to glutamine or threonine (mimics acetylation), when expressed in DU145 cells promoted cell...forms. A Gly-Ala linker between the two proteins is necessary, since a direct fusion protein was largely impaired in its activity (not shown). 6. The

Chemistry of vaporization of refractory materials

NASA Technical Reports Server (NTRS)

Gilles, P. W.

1975-01-01

A discussion is given of the principles of physical chemistry important in vaporization studies, notably the concepts of equilibrium, phase behavior, thermodynamics, solid solution, and kinetics. The important factors influencing equilibrium vaporization phenomena are discussed and illustrated. A proper course of a vaporization study consisting of 9 stages is proposed. The important experimental techniques of Knudsen effusion, Langmuir vaporization and mass spectrometry are discussed. The principles, the factors, the course of a study and the experimental techniques and procedures are illustrated by recent work on the Ti-O system.

Larval Mosquito Habitat Utilization and Community Dynamics of Aedes albopictus and Aedes japonicus (Diptera: Culicidae)

DTIC Science & Technology

2012-01-01

Medical Entomology, 49(4):813-824. 2012. Published By: Entomological Society of America DOI: http://dx.doi.org/10.1603/ME11031 URL: http...importance as a disease vector of dengue and dengue hemorrhagic fever (Estrada-Franco and Craig 1995, Knudsen et al. 1996).Ae. albopictuswas solely...respon- sible from the outbreak of dengue fever in Hawaii during 2001 (Efßer et al. 2005). Ae. albopictus is also a potential vector of Venezuelan equine

Tumor Suppressor Activity of the EphB2 Receptor in Prostate Cancer

DTIC Science & Technology

2007-11-01

S, Chen Y, Elkahloun A , Basik M, Bova GS, Bubendorf L, Lugli A , Sauter G, Schleutker J , Ozcelik H, Elowe S, Pawson T, Trent JM, Carpten JD...Collins FS, Mousses S, Bailey-Wilson J , Furbert-Harris P, Dunston G, Powell IJ, Carpten JD (2006) A common nonsense mutation in EphB2 is...associated with prostate cancer risk in African American men with a positive family history. J Med Genet 43:507-511. Knudsen BS, Miranti CK (2006) The impact

Analysis of time-of-flight spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gibson, E.M.; Foxon, C.T.; Zhang, J.

1990-07-01

A simplified method of data analysis for time of flight measurements of the velocity of molecular beams sources is described. This method does not require the complex data fitting previously used in such studies. The method is applied to the study of Pb molecular beams from a true Knudsen source and has been used to show that a VG Quadrupoles SXP300H mass spectrometer, when fitted with an open cross-beam ionizer, acts as an ideal density detector over a wide range of operating conditions.

Demonstration of Ion Kinetic Effects in Inertial Confinement Fusion Implosions and Investigation of Magnetic Reconnection Using Laser-Produced Plasmas

NASA Astrophysics Data System (ADS)

Rosenberg, M. J.

2016-10-01

Shock-driven laser inertial confinement fusion (ICF) implosions have demonstrated the presence of ion kinetic effects in ICF implosions and also have been used as a proton source to probe the strongly driven reconnection of MG magnetic fields in laser-generated plasmas. Ion kinetic effects arise during the shock-convergence phase of ICF implosions when the mean free path for ion-ion collisions (λii) approaches the size of the hot-fuel region (Rfuel) and may impact hot-spot formation and the possibility of ignition. To isolate and study ion kinetic effects, the ratio of N - K =λii /Rfuel was varied in D3He-filled, shock-driven implosions at the Omega Laser Facility and the National Ignition Facility, from hydrodynamic-like conditions (NK 0.01) to strongly kinetic conditions (NK 10). A strong trend of decreasing fusion yields relative to the predictions of hydrodynamic models is observed as NK increases from 0.1 to 10. Hydrodynamics simulations that include basic models of the kinetic effects that are likely to be present in these experiments-namely, ion diffusion and Knudsen-layer reduction of the fusion reactivity-are better able to capture the experimental results. This type of implosion has also been used as a source of monoenergetic 15-MeV protons to image magnetic fields driven to reconnect in laser-produced plasmas at conditions similar to those encountered at the Earth's magnetopause. These experiments demonstrate that for both symmetric and asymmetric magnetic-reconnection configurations, when plasma flows are much stronger than the nominal Alfvén speed, the rate of magnetic-flux annihilation is determined by the flow velocity and is largely insensitive to initial plasma conditions. This work was supported by the Department of Energy Grant Number DENA0001857.

Molecular transport properties through carbon nanotube membrane

NASA Astrophysics Data System (ADS)

Majumder, Mainak

Molecular transport through hollow cores of crystalline carbon nanotubes (CNTs) are of considerable interest from the fundamental and application point of view. This dissertation focuses on understanding molecular transport through a membrane platform consisting of open ended CNTs with ˜ 7 nm core diameter and ˜ 1010 CNTs/cm2 encapsulated in an inert polymer matrix. While ionic diffusion through the membrane is close to bulk diffusion expectations, gases and liquids were respectively observed to be transported ˜ 10 times faster than Knudsen diffusion and ˜ 10000--100000 times faster than hydrodynamic flow predictions. This phenomenon has been attributed to the non-interactive and frictionless graphitic interface. Functionalization of the CNT tips was observed to change selectivity and flux through the CNT membranes with analogy to 'gate-keeper' functionality in biological membranes. An electro-chemical diazonium grafting chemistry was utilized for enhancing the functional density on the CNT membranes. A strategy to confine the reactions at the CNT tips by a fast flowing liquid column was also designed. Characterization using electrochemical impedance spectroscopy and dye assay indicated ˜ 5--6 times increase in functional density. Electrochemical impedance spectroscopy experiments on CNT membrane/electrode functionalized with charged macro-molecules showed voltage-controlled conformational change. Similar chemistry has been applied for realizing 'voltage-gated' transport channels with potential application in trans-dermal drug delivery. Electrically-facilitated transport (a geometry in which an electric field gradient acts across the membrane) through the CNT and functionalized CNT membranes was observed to be electrosmotically controlled. Finally, a simulation framework based on continuum electrostatics and finite elements has been developed to further the understanding of transport through the CNT membranes. KEYWORDS: carbon nanotube membrane, nano-scale hydrodynamics, diazonium grafting, voltage-gated membrane, finite element analysis

The Pierce-diode approximation to the single-emitter plasma diode

NASA Astrophysics Data System (ADS)

Ender, A. Ya.; Kuhn, S.; Kuznetsov, V. I.

2006-11-01

The possibility of modeling fast processes in the collisionless single-emitter plasma diode (Knudsen diode with surface ionization, KDSI) by means of the Pierce-diode is studied. The KDSI is of practical importance in that it is an almost exact model of thermionic energy converters (TICs) in the collisionless regime and can also be used to model low-density Q-machines. At high temperatures, the Knudsen TIC comes close to the efficiency of the Carnot cycle and hence is the most promising converter of thermal to electric energy. TICs can be applied as component parts in high-temperature electronics. It is shown that normalizations must be chosen appropriately in order to compare the plasma characteristics of the two models: the KDSI and the Pierce-diode. A linear eigenmode theory of the KDSI is developed. For both nonlinear time-independent states and linear eigenmodes without electron reflection, excellent agreement is found between the analytical potential distributions for the Pierce-diode and the corresponding numerical ones for the KDSI. For the states with electron reflection, the agreement is satisfactory in a qualitative sense. A full classification of states of both diodes for the regimes with and without electron reflection is presented. The effect of the thermal spread in electron velocities on the potential distributions and the (ɛ,η) diagrams is analyzed. Generally speaking, the methodology developed is usefully applicable to a variety of systems in which the electrons have beam-like distributions.

Comparison of approximate solutions to the phonon Boltzmann transport equation with the relaxation time approximation: Spherical harmonics expansions and the discrete ordinates method

NASA Astrophysics Data System (ADS)

Christenson, J. G.; Austin, R. A.; Phillips, R. J.

2018-05-01

The phonon Boltzmann transport equation is used to analyze model problems in one and two spatial dimensions, under transient and steady-state conditions. New, explicit solutions are obtained by using the P1 and P3 approximations, based on expansions in spherical harmonics, and are compared with solutions from the discrete ordinates method. For steady-state energy transfer, it is shown that analytic expressions derived using the P1 and P3 approximations agree quantitatively with the discrete ordinates method, in some cases for large Knudsen numbers, and always for Knudsen numbers less than unity. However, for time-dependent energy transfer, the PN solutions differ qualitatively from converged solutions obtained by the discrete ordinates method. Although they correctly capture the wave-like behavior of energy transfer at short times, the P1 and P3 approximations rely on one or two wave velocities, respectively, yielding abrupt, step-changes in temperature profiles that are absent when the angular dependence of the phonon velocities is captured more completely. It is shown that, with the gray approximation, the P1 approximation is formally equivalent to the so-called "hyperbolic heat equation." Overall, these results support the use of the PN approximation to find solutions to the phonon Boltzmann transport equation for steady-state conditions. Such solutions can be useful in the design and analysis of devices that involve heat transfer at nanometer length scales, where continuum-scale approaches become inaccurate.

The Pierce-diode approximation to the single-emitter plasma diode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ender, A. Ya.; Kuhn, S.; Kuznetsov, V. I.

2006-11-15

The possibility of modeling fast processes in the collisionless single-emitter plasma diode (Knudsen diode with surface ionization, KDSI) by means of the Pierce-diode is studied. The KDSI is of practical importance in that it is an almost exact model of thermionic energy converters (TICs) in the collisionless regime and can also be used to model low-density Q-machines. At high temperatures, the Knudsen TIC comes close to the efficiency of the Carnot cycle and hence is the most promising converter of thermal to electric energy. TICs can be applied as component parts in high-temperature electronics. It is shown that normalizations mustmore » be chosen appropriately in order to compare the plasma characteristics of the two models: the KDSI and the Pierce-diode. A linear eigenmode theory of the KDSI is developed. For both nonlinear time-independent states and linear eigenmodes without electron reflection, excellent agreement is found between the analytical potential distributions for the Pierce-diode and the corresponding numerical ones for the KDSI. For the states with electron reflection, the agreement is satisfactory in a qualitative sense. A full classification of states of both diodes for the regimes with and without electron reflection is presented. The effect of the thermal spread in electron velocities on the potential distributions and the ({epsilon},{eta}) diagrams is analyzed. Generally speaking, the methodology developed is usefully applicable to a variety of systems in which the electrons have beam-like distributions.« less

Thermodynamics of iron-aluminum alloys at 1573 K

NASA Technical Reports Server (NTRS)

Jacobson, Nathan S.; Mehrotra, Gopal M.

1993-01-01

The activities of iron and aluminum were measured in Fe-Al alloys at 1573 K, using the ion-current-ratio technique in a high-temperature Knudsen cell mass spectrometer. The Fe-Al solutions exhibited negative deviations from ideality over the entire composition range. The activity coefficients gamma(Fe), and gamma(Al) are given by six following equations as a function of mole fraction, X(Fe), X(Al). The results show good agreement with those obtained from previous investigations at other temperatures by extrapolation of the activity data to 1573 K.

Interactions of Water Vapor with Oxides at Elevated Temperatures

NASA Technical Reports Server (NTRS)

Jacobson, Nathan; Opila, Elizabeth; Copland, Evan; Myers, Dwight

2003-01-01

Many volatile metal hydroxides form by reaction of the corresponding metal oxide with water vapor. These reactions are important in a number of high temperature corrosion processes. Experimental methods for studying the thermodynamics of metal hydroxides include: gas leak Knudsen cell mass spectrometry, free jet sampling mass spectrometry, transpiration and hydrogen-oxygen flame studies. The available experimental information is reviewed and the most stable metal hydroxide species are correlated with position in the periodic table. Current studies in our laboratory on the Si-O-H system are discussed.

8. Photographic copy of photograph, dated 1 October 1970 (original ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

8. Photographic copy of photograph, dated 1 October 1970 (original print in possession of CSSD-HO, Huntsville, AL). Morrison-Knudsen Company and Associates, photographer. View of 43-foot high midsection of Spartan launch tube and exhaust chamber as it was being prepared for sprint missile silo liners, prior to their installation within the subsurface holes at the missile launch site (June 1971). Note the silo liner at right; atop this is the launch preparation equipment chamber (LPEC) - Stanley R. Mickelsen Safeguard Complex, Missile Launch Area, Within Exclusion Area, Nekoma, Cavalier County, ND

Impact of vane size and separation on radiometric forces for microactuation

NASA Astrophysics Data System (ADS)

Gimelshein, Natalia; Gimelshein, Sergey; Ketsdever, Andrew; Selden, Nathaniel

2011-04-01

A kinetic approach is used to study the feasibility of increasing the efficiency of microactuators that use radiometric force through etching holes in a single radiometer vane. It has been shown that a radiometer that consists of small vanes is capable of producing at least an order of magnitude larger force than a single-vane radiometer that takes up the same area. The optimum gap between the vanes is found to be slightly smaller than the vane size, with the optimum Knudsen number of about 0.05 based on the vane height.

Short-Path Statistics and the Diffusion Approximation

NASA Astrophysics Data System (ADS)

Blanco, Stéphane; Fournier, Richard

2006-12-01

In the field of first return time statistics in bounded domains, short paths may be defined as those paths for which the diffusion approximation is inappropriate. This is at the origin of numerous open questions concerning the characterization of residence time distributions. We show here how general integral constraints can be derived that make it possible to address short-path statistics indirectly by application of the diffusion approximation to long paths. Application to the moments of the distribution at the low-Knudsen limit leads to simple practical results and novel physical pictures.

Determination of molar enthalpy of sublimation in case of orotic acid as obtained from experimental and computational data

NASA Astrophysics Data System (ADS)

Marochkin, Ilya I.; Altova, Ekaterina P.; Chilingarov, Norbert S.; Vilkova, Anna L.; Shishkov, Igor F.

2018-03-01

Saturated vapor pressure, ln(p/Pa) = (-21316 ± 511)/(T/K)+(41.64 ± 0.11), and enthalpy of sublimation of orotic acid, Δsub Hm0 (Tm) = 177 ± 4 kJ/mol, were determined by means of Knudsen effusion mass spectrometry in the temperature range of 423÷493 K. The computational approaches supported the experimental results reported. The theoretical estimation of the gas-phase enthalpy of formation for orotic acid was done with different working reactions used.

A large eddy lattice Boltzmann simulation of magnetohydrodynamic turbulence

NASA Astrophysics Data System (ADS)

Flint, Christopher; Vahala, George

2018-02-01

Large eddy simulations (LES) of a lattice Boltzmann magnetohydrodynamic (LB-MHD) model are performed for the unstable magnetized Kelvin-Helmholtz jet instability. This algorithm is an extension of Ansumali et al. [1] to MHD in which one performs first an expansion in the filter width on the kinetic equations followed by the usual low Knudsen number expansion. These two perturbation operations do not commute. Closure is achieved by invoking the physical constraint that subgrid effects occur at transport time scales. The simulations are in very good agreement with direct numerical simulations.

Magnetic reconnection as a chondrule heating mechanism

NASA Astrophysics Data System (ADS)

Lazerson, Samuel A.

2010-12-01

The origin of chondrules (sub-millimeter inclusions found in stony meteorites) remains today an open question despite over century of examination. The age of these proto-solar relics shows a well defined cutoff of around 4.5 billion years ago. This places them as the oldest solids in the solar system. Chemical examination indicates that they experienced heating events on the order of 5000 K/hr for periods of around 30 minutes, followed by extending periods of cooling. Additional examination indicates the presence of large magnetic fields during their formation. Most attempts to explain chondrule formation in the proto-solar nebula neglect the existence of a plasma environment, with even less mention of dust being a charge carrier (dusty plasma). Simulations of magnetic reconnection in a dusty plasma are forwarded as a mechanism for chondrule formation in the proto-solar nebula. Here large dust-neutral relative velocities are found in the reconnection region. These flows are associated with the dynamics of reconnection. The high Knudsen number of the dust particles allows for a direct calculation of frictional heating due to collisions with neutrals (allowing for the neglect of boundary layer formation around the particle). Test particle simulations produce heating equivalent to that recorded in the chondrule mineral record. It is shown that magnetic reconnection in a dusty plasma is of fundamental importance to the formation of the most primitive solids in the solar system.

Chemical characterization of diesel and hydrotreated vegetable oil (HVO) soot after reactive gas probing using diffuse reflectance FTIR spectroscopy (DRIFTS).

PubMed

Tapia, A; Salgado, M S; Martín, M P; Rodríguez-Fernández, J; Rossi, M J; Cabañas, B

2017-03-01

A chemical characterization of diesel and hydrotreated vegetable oil (HVO) soot has been developed using diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) before and after the reaction with different probe gases. Samples were generated under combustion conditions corresponding to an urban operation mode of a diesel engine and were reacted with probe gas-phase molecules in a Knudsen flow reactor. Specifically, NH 2 OH, O 3 and NO 2 were used as reactants (probes) and selected according to their reactivities towards specific functional groups on the sample surface. Samples of previously ground soot were diluted with KBr and were introduced in a DRIFTS accessory. A comparison between unreacted and reacted soot samples was made in order to establish chemical changes on the soot surface upon reaction. It was concluded that the interface of diesel and HVO soot before reaction mainly consists polycyclic aromatic hydrocarbons, nitro and carbonyl compounds, as well as ether functionalities. The main difference between both soot samples was observed in the band of the C=O groups that in diesel soot was observed at 1719 cm -1 but not in HVO soot. After reaction with probe gases, it was found that nitro compounds remain on the soot surface, that the degree of unsaturation decreases for reacted samples, and that new spectral bands such as hydroxyl groups are observed.

Multiscale computational modeling of a radiantly driven solar thermal collector

NASA Astrophysics Data System (ADS)

Ponnuru, Koushik

The objectives of the master's thesis are to present, discuss and apply sequential multiscale modeling that combines analytical, numerical (finite element-based) and computational fluid dynamic (CFD) analysis to assist in the development of a radiantly driven macroscale solar thermal collector for energy harvesting. The solar thermal collector is a novel green energy system that converts solar energy to heat and utilizes dry air as a working heat transfer fluid (HTF). This energy system has important advantages over competitive technologies: it is self-contained (no energy sources are needed), there are no moving parts, no oil or supplementary fluids are needed and it is environmentally friendly since it is powered by solar radiation. This work focuses on the development of multi-physics and multiscale models for predicting the performance of the solar thermal collector. Model construction and validation is organized around three distinct and complementary levels. The first level involves an analytical analysis of the thermal transpiration phenomenon and models for predicting the associated mass flow pumping that occurs in an aerogel membrane in the presence of a large thermal gradient. Within the aerogel, a combination of convection, conduction and radiation occurs simultaneously in a domain where the pore size is comparable to the mean free path of the gas molecules. CFD modeling of thermal transpiration is not possible because all the available commercial CFD codes solve the Navier Stokes equations only for continuum flow, which is based on the assumption that the net molecular mass diffusion is zero. However, thermal transpiration occurs in a flow regime where a non-zero net molecular mass diffusion exists. Thus these effects are modeled by using Sharipov's [2] analytical expression for gas flow characterized by high Knudsen number. The second level uses a detailed CFD model solving Navier Stokes equations for momentum, heat and mass transfer in the various components of the device. We have used state-of-the-art computational fluid dynamics (CFD) software, Flow3D (www.flow3d.com) to model the effects of multiple coupled physical processes including buoyancy driven flow from local temperature differences within the plenums, fluid-solid momentum and heat transfer, and coupled radiation exchange between the aerogel, top glazing and environment. In addition, the CFD models include both convection and radiation exchange between the top glazing and the environment. Transient and steady-state thermal models have been constructed using COMSOL Multiphysics. The third level consists of a lumped-element system model, which enables rapid parametric analysis and helps to develop an understanding of the system behavior; the mathematical models developed and multiple CFD simulations studies focus on simultaneous solution of heat, momentum, mass and gas volume fraction balances and succeed in accurate state variable distributions confirmed by experimental measurements.

Microscale shock tube

NASA Astrophysics Data System (ADS)

Mirshekari, Gholamreza

This project aims at the simulation, design, fabrication and testing of a microscale shock tube. A step by step procedure has been followed to develop the different components of the microscale shock tube and then combine them together to realize the final device. The document reports on the numerical simulation of flows in a microscale shock tube, the experimental study of gas flow in microchannels, the design, microfabrication, and the test of a microscale shock tube. In the first step, a one-dimensional numerical model for simulation of transport effects at small-scale, appeared in low Reynolds number shock tubes is developed. The conservation equations have been integrated in the lateral directions and three-dimensional effects have been introduced as carefully controlled sources of mass, momentum and energy, into the one-dimensional model. The unsteady flow of gas behind the shock wave is reduced to a quasi-steady laminar flow solution, similar to the Blasius solution. The resulting one-dimensional equations are solved numerically and the simulations are performed for previously reported low Reynolds number shock tube experiments. Good agreement between the shock structure simulation and the attenuation due to the boundary layers has been observed. The simulation for predicting the performance of a microscale shock tube shows the large attenuation of shock wave at low pressure ratios. In the next step the steady flow inside microchannels has been experimentally studied. A set of microchannels with different geometries were fabricated. These microchannels have been used to measure the pressure drop as a function of flow rate in a steady compressible flow. The results of the experiments confirm that the flow inside the microscale shock tube follows the laminar model over the experiment's range of Knudsen number. The microscale shock tube is fabricated by deposition and patterning of different thin layers of selected materials on the silicon substrate. The direct sensing piezoelectric sensors were fabricated and integrated with microchannels patterned on the substrate. The channels were then covered with another substrate. This shock tube is 2000 mum long and it has a 2000 mum wide and 17 mum high rectangular cross section equipped with 5 piezoelectric sensors along the tube. The packaged microscale shock tube was installed in an ordinary shock tube and shock waves with different Mach numbers were directed into the channel. A one-dimensional inviscid calculation as well as viscous simulation using the one-dimensional model have also been performed for the above mentioned geometry. The comparison of results with those of the same geometry for an inviscid flow shows the considerable attenuation of shock strength and deceleration of the shock wave for both incident and reflected shock waves in the channel. The comparison of results with numerically generated results with the one-dimensional model presents good agreement for incident shock waves. Keywords. Shock wave, Shock tube, MEMS, Microfluidic, Piezoelectric sensor, Microchannel, Transport phenomena.

Kinetic Theory and Fast Wind Observations of the Electron Strahl

NASA Astrophysics Data System (ADS)

Horaites, Konstantinos; Boldyrev, Stanislav; Wilson, Lynn B., III; Viñas, Adolfo F.; Merka, Jan

2018-02-01

We develop a model for the strahl population in the solar wind - a narrow, low-density and high-energy electron beam centred on the magnetic field direction. Our model is based on the solution of the electron drift-kinetic equation at heliospheric distances where the plasma density, temperature and the magnetic field strength decline as power laws of the distance along a magnetic flux tube. Our solution for the strahl depends on a number of parameters that, in the absence of the analytic solution for the full electron velocity distribution function (eVDF), cannot be derived from the theory. We however demonstrate that these parameters can be efficiently found from matching our solution with observations of the eVDF made by the Wind satellite's SWE strahl detector. The model is successful at predicting the angular width (FWHM) of the strahl for the Wind data at 1 au, in particular by predicting how this width scales with particle energy and background density. We find that the strahl distribution is largely determined by the local temperature Knudsen number γ ∼ |T dT/dx|/n, which parametrizes solar wind collisionality. We compute averaged strahl distributions for typical Knudsen numbers observed in the solar wind, and fit our model to these data. The model can be matched quite closely to the eVDFs at 1 au; however, it then overestimates the strahl amplitude at larger heliocentric distances. This indicates that our model may be improved through the inclusion of additional physics, possibly through the introduction of 'anomalous diffusion' of the strahl electrons.

An experimental study of chondrule formation from chondritic precursors via evaporation and condensation in Knudsen cell: Shock heating model of dust aggregates

NASA Astrophysics Data System (ADS)

Imae, Naoya; Isobe, Hiroshi

2017-09-01

Chondrules, igneous objects of ∼1 mm in diameter, formed in the earliest solar system via a transient heating event, are divided into two types: main (type I, FeO-poor) and minor (type II, FeO-rich). Using various chondritic materials for different redox conditions and grain sizes, chondrule reproduction experiments were carried out at IW-2 to IW-3.8, with cooling rates mainly ∼100°C/h, with peak temperatures mainly at 1450 °C, and mainly at 100 Pa in a Knudsen cell providing near chemical equilibrium between the charge and the surrounding gas at the peak temperatures. Vapor pressures in the capsule were controlled using solid buffers. After and during the significant evaporation of the iron component from the metallic iron-poor starting materials in near equilibrium, crystallization occurred. This resulted in the formation of a product similar to the type I chondrules. Dusty olivine grains occurred in charges that had precursor type II chondrules containing coarse ferroan olivine, but such grains are not common in type I chondrules. Therefore fine-grained ferroan matrices rather than type II chondrules are main precursor for type I chondrules. The type I chondrules would have evolved via evaporation and condensation in the similar conditions to the present experimental system. Residual gas, which escaped in experiments, could have condensed to form matrices, leading to complementary compositions. Clusters of matrices and primordial chondrules could have been recycled to form main-generation chondrules originated from the shock heating.

The uptake of HNO3 on meteoric smoke analogues

NASA Astrophysics Data System (ADS)

Frankland, Victoria L.; James, Alexander D.; Feng, Wuhu; Plane, John M. C.

2015-05-01

The uptake of HNO3, H2O, NO2 and NO was studied on meteoric smoke particle analogues using a low-pressure Knudsen cell operating at 295 K. The analogues used were olivine (MgFeSiO4) and a haematite/goethite (Fe2O3/FeO(OH)) mixture synthesised by the sol-gel process. For uptake on MgFeSiO4, the following uptake coefficients were obtained: γ(HNO3)=(1.8±0.3)×10-3, γ(H2O)=(4.0±1.3)×10-3, γ(NO2)=(5.7±0.2)×10-4 and γ(NO)<3×10-4. γ(HNO3) did not show a dependence on the mass of MgFeSiO4 in the Knudsen cell (when varied by a factor of 6) implying that, because of relatively efficient uptake, HNO3 is removed only by near-surface particles. This was corroborated by application of a surface uptake model. Saturating the MgFeSiO4 particles with water vapour before exposing them to NO2 increased γ(NO2) to (2.1±0.7)×10-3, but had a very small effect on γ(HNO3). For uptake on Fe2O3/FeO(OH), γ(HNO3)=(1.5±0.2)×10-3. These results were then included in a whole atmosphere chemistry-climate model, which shows that the heterogeneous removal on meteoric smoke particles in the winter polar vortex between 30 and 60 km appears to provide an important sink for HNO3.

Experimental, theoretical, and numerical studies of small scale combustion

NASA Astrophysics Data System (ADS)

Xu, Bo

Recently, the demand increased for the development of microdevices such as microsatellites, microaerial vehicles, micro reactors, and micro power generators. To meet those demands the biggest challenge is obtaining stable and complete combustion at relatively small scale. To gain a fundamental understanding of small scale combustion in this thesis, thermal and kinetic coupling between the gas phase and the structure at meso and micro scales were theoretically, experimentally, and numerically studied; new stabilization and instability phenomena were identified; and new theories for the dynamic mechanisms of small scale combustion were developed. The reduction of thermal inertia at small scale significantly reduces the response time of the wall and leads to a strong flame-wall coupling and extension of burning limits. Mesoscale flame propagation and extinction in small quartz tubes were theoretically, experimentally and numerically studied. It was found that wall-flame interaction in mesoscale combustion led to two different flame regimes, a heat-loss dominant fast flame regime and a wall-flame coupling slow flame regime. The nonlinear transition between the two flame regimes was strongly dependent on the channel width and flow velocity. It is concluded that the existence of multiple flame regimes is an inherent phenomenon in mesoscale combustion. In addition, all practical combustors have variable channel width in the direction of flame propagation. Quasi-steady and unsteady propagations of methane and propane-air premixed flames in a mesoscale divergent channel were investigated experimentally and theoretically. The emphasis was the impact of variable cross-section area and the flame-wall coupling on the flame transition between different regimes and the onset of flame instability. For the first time, spinning flames were experimentally observed for both lean and rich methane and propane-air mixtures in a broad range of equivalence ratios. An effective Lewis number to describe the competition between the mass transport in gas phase and the heat conduction in gas and solid phases was defined. Experimental observation and theoretical analysis suggested that the flame-wall coupling significantly increased the effective Lewis number and led to a new mechanism to promote the thermal diffusion instability. Due to the short flow residence time in small scale combustion, reactants, and oxidizers may not be able to be fully premixed before combustion. As such, non-premixed combustion plays an important role. Non-premixed mixing layer combustion within a constrained mesoscale channel was studied. Depending on the flow rate, it was found that there were two different flame regimes, an unsteady bimodal flame regime and a flame street regime with multiple stable triple flamelets. This multiple triple flame structure was identified experimentally for the first time. A scaling analytical model was developed to qualitatively explain the mechanism of flame streets. The effects of flow velocity, wall temperature, and Lewis number on the distance between flamelets and the diffusion flame length were also investigated. The results showed that the occurrence of flame street regimes was a combined effect of heat loss, curvature, diffusion, and dilution. To complete this thesis, experiments were conducted to measure the OH concentration using Planar Laser Induced Fluorescence (PLIF) in a confined mesoscale combustor. Some preliminary results have been obtained for the OH concentration of flamelets in a flame street. When the scale of the micro reactor is further reduced, the rarefied gas effect may become significant. In this thesis, a new concentration slip model to describe the rarefied gas effect on the species transport in microscale chemical reactors was obtained. The present model is general and recovers the existing models in the limiting cases. The analytical results showed the concentration slip was dominated by two different mechanisms, the surface reaction induced concentration slip (RIC) and the temperature slip induced concentration slip (TIC). It is found that the magnitude of RIC slip was proportional to the product of the Damkohler number and Knudsen number. The results showed the impact of reaction induced concentration slip (RIC slip) effects on catalytic reactions strongly depended on the Damkohler number, the Knudsen number, and the surface accommodation coefficient.

Evaporative cooling of microscopic water droplets in vacuo: Molecular dynamics simulations and kinetic gas theory

DOE PAGES

Schlesinger, Daniel; Sellberg, Jonas A.; Nilsson, Anders; ...

2016-03-22

In the present study, we investigate the process of evaporative cooling of nanometer-sized droplets in vacuum using molecular dynamics simulations with the TIP4P/2005 water model. The results are compared to the temperature evolution calculated from the Knudsen theory of evaporation which is derived from kinetic gas theory. The calculated and simulation results are found to be in very good agreement for an evaporation coefficient equal to unity. Lastly, our results are of interest to experiments utilizing droplet dispensers as well as to cloud micro-physics.

Investigation of shock waves in the relativistic Riemann problem: A comparison of viscous fluid dynamics to kinetic theory

NASA Astrophysics Data System (ADS)

Bouras, I.; Molnár, E.; Niemi, H.; Xu, Z.; El, A.; Fochler, O.; Greiner, C.; Rischke, D. H.

2010-08-01

We solve the relativistic Riemann problem in viscous matter using the relativistic Boltzmann equation and the relativistic causal dissipative fluid-dynamical approach of Israel and Stewart. Comparisons between these two approaches clarify and point out the regime of validity of second-order fluid dynamics in relativistic shock phenomena. The transition from ideal to viscous shocks is demonstrated by varying the shear viscosity to entropy density ratio η/s. We also find that a good agreement between these two approaches requires a Knudsen number Kn<1/2.

Third-order dissipative hydrodynamics from the entropy principle

NASA Astrophysics Data System (ADS)

El, Andrej; Xu, Zhe; Greiner, Carsten

2010-06-01

We review the entropy based derivation of third-order hydrodynamic equations and compare their solutions in one-dimensional boost-invariant geometry with calculations by the partonic cascade BAMPS. We demonstrate that Grad's approximation, which underlies the derivation of both Israel-Stewart and third-order equations, describes the transverse spectra from BAMPS with high accuracy. At the same time solutions of third-order equations are much closer to BAMPS results than solutions of Israel-Stewart equations. Introducing a resummation scheme for all higher-oder corrections to one-dimensional hydrodynamic equation we demonstrate the importance of higher-order terms if the Knudsen number is large.

Slip Boundary Conditions for the Compressible Navier-Stokes Equations

NASA Astrophysics Data System (ADS)

Aoki, Kazuo; Baranger, Céline; Hattori, Masanari; Kosuge, Shingo; Martalò, Giorgio; Mathiaud, Julien; Mieussens, Luc

2017-11-01

The slip boundary conditions for the compressible Navier-Stokes equations are derived systematically from the Boltzmann equation on the basis of the Chapman-Enskog solution of the Boltzmann equation and the analysis of the Knudsen layer adjacent to the boundary. The resulting formulas of the slip boundary conditions are summarized with explicit values of the slip coefficients for hard-sphere molecules as well as the Bhatnagar-Gross-Krook model. These formulas, which can be applied to specific problems immediately, help to prevent the use of often used slip boundary conditions that are either incorrect or without theoretical basis.

Boltzmann equation and hydrodynamics beyond Navier-Stokes.

PubMed

Bobylev, A V

2018-04-28

We consider in this paper the problem of derivation and regularization of higher (in Knudsen number) equations of hydrodynamics. The author's approach based on successive changes of hydrodynamic variables is presented in more detail for the Burnett level. The complete theory is briefly discussed for the linearized Boltzmann equation. It is shown that the best results in this case can be obtained by using the 'diagonal' equations of hydrodynamics. Rigorous estimates of accuracy of the Navier-Stokes and Burnett approximations are also presented.This article is part of the theme issue 'Hilbert's sixth problem'. © 2018 The Author(s).

Heat Transfer to Bodies in a High-speed Rarified-Gas Stream

NASA Technical Reports Server (NTRS)

Stalder, Jackson R; Goodwin, Glen; Creager, Marcus O

1952-01-01

Report presents the results of an investigation to determine the equilibrium temperature and heat-transfer coefficients for transverse cylinders in a high-speed stream of rarefied gas measured over a range of Knudsen numbers (ratio of molecular-mean-free path to cylinder diameter) from 0.025 to 11.8 and for Mach numbers from 2.0 to 3.3. The range of free-stream Reynolds numbers was from 0.28 to 203. The models tested were 0.0010-, 0.0050-, 0.030-, 0.051-, 0.080-, and 0.126-inch -diameter cylinders held normal to the stream.

Experimental Techniques for Thermodynamic Measurements of Ceramics

NASA Technical Reports Server (NTRS)

Jacobson, Nathan S.; Putnam, Robert L.; Navrotsky, Alexandra

1999-01-01

Experimental techniques for thermodynamic measurements on ceramic materials are reviewed. For total molar quantities, calorimetry is used. Total enthalpies are determined with combustion calorimetry or solution calorimetry. Heat capacities and entropies are determined with drop calorimetry, differential thermal methods, and adiabatic calorimetry . Three major techniques for determining partial molar quantities are discussed. These are gas equilibration techniques, Knudsen cell methods, and electrochemical techniques. Throughout this report, issues unique to ceramics are emphasized. Ceramic materials encompass a wide range of stabilities and this must be considered. In general data at high temperatures is required and the need for inert container materials presents a particular challenge.

Investigation of shock waves in the relativistic Riemann problem: A comparison of viscous fluid dynamics to kinetic theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bouras, I.; El, A.; Fochler, O.

2010-08-15

We solve the relativistic Riemann problem in viscous matter using the relativistic Boltzmann equation and the relativistic causal dissipative fluid-dynamical approach of Israel and Stewart. Comparisons between these two approaches clarify and point out the regime of validity of second-order fluid dynamics in relativistic shock phenomena. The transition from ideal to viscous shocks is demonstrated by varying the shear viscosity to entropy density ratio {eta}/s. We also find that a good agreement between these two approaches requires a Knudsen number Kn<1/2.

Experimental studies and model analysis of noble gas fractionation in low-permeability porous media

NASA Astrophysics Data System (ADS)

Ding, Xin; Mack Kennedy, B.; Molins, Sergi; Kneafsey, Timothy; Evans, William C.

2017-05-01

Gas flow through the vadose zone from sources at depth involves fractionation effects that can obscure the nature of transport and even the identity of the source. Transport processes are particularly complex in low permeability media but as shown in this study, can be elucidated by measuring the atmospheric noble gases. A series of laboratory column experiments was conducted to evaluate the movement of noble gas from the atmosphere into soil in the presence of a net efflux of CO2, a process that leads to fractionation of the noble gases from their atmospheric abundance ratios. The column packings were designed to simulate natural sedimentary deposition by interlayering low permeability ceramic plates and high permeability beach sand. Gas samples were collected at different depths at CO2 fluxes high enough to cause extreme fractionation of the noble gases (4He/36Ar > 20 times the air ratio). The experimental noble gas fractionation-depth profiles were in good agreement with those predicted by the dusty gas (DG) model, demonstrating the applicability of the DG model across a broad spectrum of environmental conditions. A governing equation based on the dusty gas model was developed to specifically describe noble gas fractionation at each depth that is controlled by the binary diffusion coefficient, Knudsen diffusion coefficient and the ratio of total advection flux to total flux. Finally, the governing equation was used to derive the noble gas fractionation pattern and illustrate how it is influenced by soil CO2 flux, sedimentary sequence, thickness of each sedimentary layer and each layer's physical parameters. Three potential applications of noble gas fractionation are provided: evaluating soil attributes in the path of gas flow from a source at depth to the atmosphere, testing leakage through low permeability barriers used to isolate buried waste, and tracking biological methanogenesis and methane oxidation associated with hydrocarbon degradation.

Characterizing the Chemical Stability of High Temperature Materials for Application in Extreme Environments

NASA Technical Reports Server (NTRS)

Opila, Elizabeth

2005-01-01

The chemical stability of high temperature materials must be known for use in the extreme environments of combustion applications. The characterization techniques available at NASA Glenn Research Center vary from fundamental thermodynamic property determination to material durability testing in actual engine environments. In this paper some of the unique techniques and facilities available at NASA Glenn will be reviewed. Multiple cell Knudsen effusion mass spectrometry is used to determine thermodynamic data by sampling gas species formed by reaction or equilibration in a Knudsen cell held in a vacuum. The transpiration technique can also be used to determine thermodynamic data of volatile species but at atmospheric pressures. Thermodynamic data in the Si-O-H(g) system were determined with this technique. Free Jet Sampling Mass Spectrometry can be used to study gas-solid interactions at a pressure of one atmosphere. Volatile Si(OH)4(g) was identified by this mass spectrometry technique. A High Pressure Burner Rig is used to expose high temperature materials in hydrocarbon-fueled combustion environments. Silicon carbide (SiC) volatility rates were measured in the burner rig as a function of total pressure, gas velocity and temperature. Finally, the Research Combustion Lab Rocket Test Cell is used to expose high temperature materials in hydrogen/oxygen rocket engine environments to assess material durability. SiC recession due to rocket engine exposures was measured as a function of oxidant/fuel ratio, temperature, and total pressure. The emphasis of the discussion for all techniques will be placed on experimental factors that must be controlled for accurate acquisition of results and reliable prediction of high temperature material chemical stability.

Kinetic Theory and Fast Wind Observations of the Electron Strahl

NASA Astrophysics Data System (ADS)

Horaites, K.; Boldyrev, S.; Wilson, L. B., III; Figueroa-Vinas, A.; Merka, J.

2017-12-01

We develop a model for the strahl population in the solar wind - a narrow, low-density and high-energy electron beam centered on the magnetic field direction. Our model is based on the solution of the electron drift-kinetic equation at heliospheric distances where the plasma density, temperature, and the strength of the magnetic field decline as power-laws of the distance along a magnetic flux tube. Our solution for the strahl depends on a number of parameters that, in the absence of the analytic solution for the full electron velocity distribution function (eVDF), cannot be derived from the theory. We however demonstrate that these parameters can be efficiently found from matching our solution with the observations. To this end, we compare our model with the eVDF measured by the Wind satellite's SWE strahl detector. The model is successful at predicting the angular width (FWHM) of the strahl for the Wind data at 1 AU, in particular by predicting how this width scales with particle energy and background density. We find the shape of the strahl distribution is largely determined by the local temperature Knudsen number γ |T dT/dx|/n, which parametrizes solar wind collisionality. We compute averaged strahl distributions for typical Knudsen numbers observed in the solar wind, and fit our model to these data. The model can be matched quite closely to the eVDFs at 1 AU; however, it then overestimates the strahl amplitude compared to the amplitude of the electron core at larger heliocentric distances. This indicates that our model may need to be improved through the inclusion of additional physics, possibly through the introduction of "anomalous diffusion" of the strahl electrons.

Aerodynamic characteristics of the upper stages of a launch vehicle in low-density regime

NASA Astrophysics Data System (ADS)

Oh, Bum Seok; Lee, Joon Ho

2016-11-01

Aerodynamic characteristics of the orbital block (remaining configuration after separation of nose fairing and 1st and 2nd stages of the launch vehicle) and the upper 2-3stage (configuration after separation of 1st stage) of the 3 stages launch vehicle (KSLV-II, Korea Space Launch Vehicle) at high altitude of low-density regime are analyzed by SMILE code which is based on DSMC (Direct Simulation Monte-Carlo) method. To validating of the SMILE code, coefficients of axial force and normal forces of Apollo capsule are also calculated and the results agree very well with the data predicted by others. For the additional validations and applications of the DSMC code, aerodynamic calculation results of simple shapes of plate and wedge in low-density regime are also introduced. Generally, aerodynamic characteristics in low-density regime differ from those of continuum regime. To understand those kinds of differences, aerodynamic coefficients of the upper stages (including upper 2-3 stage and the orbital block) of the launch vehicle in low-density regime are analyzed as a function of Mach numbers and altitudes. The predicted axial force coefficients of the upper stages of the launch vehicle are very high compared to those in continuum regime. In case of the orbital block which flies at very high altitude (higher than 250km), all aerodynamic coefficients are more dependent on velocity variations than altitude variations. In case of the upper 2-3 stage which flies at high altitude (80km-150km), while the axial force coefficients and the locations of center of pressure are less changed with the variations of Knudsen numbers (altitudes), the normal force coefficients and pitching moment coefficients are more affected by variations of Knudsen numbers (altitude).

Mass spectrometric studies of 1-ethyl-3-methylimidazolium and 1-propyl-2,3-dimethylimidazolium bis(trifluoromethyl)-sulfonylimides.

PubMed

Chilingarov, Norbert S; Medvedev, Artem A; Deyko, Grigoriy S; Kustov, Leonid M; Chernikova, Elena A; Glukhov, Lev M; Markov, Vitaliy Yu; Ioffe, Il'ya N; Senyavin, Vladimir M; Polyakova, Marina V; Sidorov, Lev N

2015-07-15

Ionic liquids ([Cat(+)][An(-)]) were believed to decompose before reaching vaporization temperatures, but recently some of them have been shown to vaporize congruently. Low-temperature vaporization of ionic substances is an intriguing phenomenon, so the vapor-phase composition and reactions of ionic liquids deserve more extensive study. Evaporation of two ionic liquids, [C2MIM(+)][Tf2 N(-)] and [C3MMIM(+)][Tf2N(-)], was studied by means of Knudsen effusion mass spectrometry. These liquids were also characterized using matrix-assisted laser desorption/ionization (MALDI) mass spectrometry, UV/Vis, IR, NMR spectroscopy, and elemental analysis. The vaporization enthalpies of (118 ± 3) and (124 ± 2) kJ·mol(-1) were determined for [C2MIM(+)][Tf2N(-)] and [C3MMIM(+)][Tf2N(-)], respectively. The corresponding equations for their saturated vapor pressures are: ln(p{[C2MIM(+)][Tf2N(-)]}/Pa) = -(14213 ± 325)/(T/K) + (26.57 ± 1.04), ln(p{[C2MMIM(+)][Tf2N(-)]}/Pa) = -(14868 ± 221)/(T/K) + (27.19 ± 0.60). The MALDI studies (positive and negative ion modes) enabled detection of monomeric [Cat(+)] and [An(-)] ions, the cluster ions {[Cat(+)]2 [An(-)]}(+) and {[Cat(+)][An(-)]2}(-), and some complex anions {2[An(-)] + Na(+)}(-), {2[An(-)] + K(+)}(-), {2[An(-)] + Cu(+)}(-) and {3[An(-)] + Ca(2+)}(-). Knudsen effusion mass spectrometry proved to be a valuable method to study the thermodynamics of ionic liquids. The saturated vapor pressure and vaporization enthalpy of [C3MMIM(+)][Tf2N(-)] were accurately determined for the first time. MALDI is also capable of providing indirect information on hydrogen bonding. Copyright © 2015 John Wiley & Sons, Ltd.

Analysis of plasma-controlled laser evaporation of Al target in vacuum

NASA Astrophysics Data System (ADS)

Mazhukin, Vladimir I.; Nossov, Vadim V.; Smurov, Igor Y.

2004-04-01

The plasma-controlled evaporation of the Al target induced by the laser pulse with intensity of 8 x 108 W/cm2 and wavelength of 1.06 μm is analyzed with account for the two-dimensional effects. The self consistent model is applied, consisting of the heat transfer equation in condensed medium, the system of radiation gas dynamics in evaporated substance, and the Knudsen layer model at the two media boundary. It is established that the phase transition of the target surface is controlled by the two factors: the surface temperature that depends on the transmitted radiation intensity and the plasma pressure, governed by the expansion regime. The process comes through three characteristics stages -- the sonic evaporation at the beginning, the condensation during the period of plasma formation and initial expansion and, finally, the recommence of evaporation in subsonic regime after the partial brightening of the plasma. During the subsonic evaporation stage the vapor flow and the mass removal rate is much higher near the beam boundaries than in the center due to smaller plasma counter-pressure. The vapor plasma pattern is characterized by the dense hot zone near the surface where the deposition of laser energy occurs, and rapid decrease of density outside the zone due to three-dimensional expansion. The application of the laser beam of smaller radius at the same intensity leads to the formation of more rarefied and more transparent plasma, that allows to improve the mass removal efficiency.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bordoloi, Ankur D.; Martinez, Adam A.; Prestridge, Katherine

Experimental measurements of the displacements of shock accelerated microparticles from shortly after shock interaction to the particle relaxation time show time-dependent drag coefficients (more » $$C_{D}$$) that are much higher than those predicted by quasi-steady and unsteady drag models. Nylon particles with mean diameter of $$4~\\unicode[STIX]{x03BC}\\text{m}$$, accelerated by one-dimensional normal shocks (Mach number$$M_{s}=1.2$$, 1.3 and 1.4), have measured$$C_{D}$$values that follow a power-law behaviour. The drag is a function of the time-dependent Knudsen number,$$Kn^{\\ast }=M_{s}/Re_{p}$$, where the particle Reynolds number ($$Re_{p}$$) is calculated using the time-dependent slip velocity. Also, some portion of the drag can be attributed to quasi-steady forces, but the total drag cannot be predicted by current unsteady force models that are based on the Basset–Boussinesq–Oseen equation and pressure drag. The largest contribution to the total drag is the unsteady component ($$C_{D,us}$$) until the particle attains$$Kn^{\\ast }\\approx 0.5{-}1.0$$, then the unsteady contribution decays. The quasi-steady component ($$C_{D,qs}$$) increases almost linearly with$$Kn^{\\ast }$$, intersects the$$C_{D,us}$$at$$Kn^{\\ast }\\approx 2$$and becomes the primary contributor to the drag towards the end of the relaxation zone as$$Re_{p}\\rightarrow 0$$. Finally, there are currently no analytical models that are able to predict the nonlinear behaviour of the shock accelerated particles during the relaxation phase of the flow.« less

Modifications to Axially Symmetric Simulations Using New DSMC (2007) Algorithms

NASA Technical Reports Server (NTRS)

Liechty, Derek S.

2008-01-01

Several modifications aimed at improving physical accuracy are proposed for solving axially symmetric problems building on the DSMC (2007) algorithms introduced by Bird. Originally developed to solve nonequilibrium, rarefied flows, the DSMC method is now regularly used to solve complex problems over a wide range of Knudsen numbers. These new algorithms include features such as nearest neighbor collisions excluding the previous collision partners, separate collision and sampling cells, automatically adaptive variable time steps, a modified no-time counter procedure for collisions, and discontinuous and event-driven physical processes. Axially symmetric solutions require radial weighting for the simulated molecules since the molecules near the axis represent fewer real molecules than those farther away from the axis due to the difference in volume of the cells. In the present methodology, these radial weighting factors are continuous, linear functions that vary with the radial position of each simulated molecule. It is shown that how one defines the number of tentative collisions greatly influences the mean collision time near the axis. The method by which the grid is treated for axially symmetric problems also plays an important role near the axis, especially for scalar pressure. A new method to treat how the molecules are traced through the grid is proposed to alleviate the decrease in scalar pressure at the axis near the surface. Also, a modification to the duplication buffer is proposed to vary the duplicated molecular velocities while retaining the molecular kinetic energy and axially symmetric nature of the problem.

Multi-species ion transport in ICF relevant conditions

NASA Astrophysics Data System (ADS)

Vold, Erik; Kagan, Grigory; Simakov, Andrei; Molvig, Kim; Yin, Lin; Albright, Brian

2017-10-01

Classical transport theory based on Chapman-Enskog methods provides self consistent approximations for kinetic fluxes of mass, heat and momentum for each ion species in a multi-ion plasma characterized with a small Knudsen number. A numerical method for solving the classic forms of multi-ion transport, self-consistently including heat and species mass fluxes relative to the center of mass, is given in [Kagan-Baalrud, arXiv '16] and similar transport coefficients result from recent derivations [Simakov-Molvig, PoP, '16]. We have implemented a combination of these methods in a standalone test code and in xRage, an adaptive-mesh radiation hydrodynamics code, at LANL. Transport mixing is examined between a DT fuel and a CH capsule shell in ICF conditions. The four ion species develop individual self-similar density profiles under the assumption of P-T equilibrium in 1D and show interesting early time transient pressure and center of mass velocity behavior when P-T equilibrium is not enforced. Some 2D results are explored to better understand the transport mix in combination with convective flow driven by macroscopic fluid instabilities at the fuel-capsule interface. Early transient and some 2D behaviors from the fluid transport are compared to kinetic code results. Work performed under the auspices of the U.S. DOE by the LANS, LLC, Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. Funding provided by the Advanced Simulation and Computing (ASC) Program.

Gas transport in unsaturated porous media: the adequacy of Fick's law

USGS Publications Warehouse

Thorstenson, D.C.; Pollock, D.W.

1989-01-01

The increasing use of natural unsaturated zones as repositories for landfills and disposal sites for hazardous wastes (chemical and radioactive) requires a greater understanding of transport processes in the unsaturated zone. For volatile constituents an important potential transport mechanism is gaseous diffusion. Diffusion, however, cannot be treated as an independent isolated transport mechanism. A complete understanding of multicomponent gas transport in porous media (unsaturated zones) requires a knowledge of Knudsen transport, the molecular and nonequimolar components of diffusive flux, and viscous (pressure driven) flux. This review presents a brief discussion of the underlying principles and interrelationships among each of the above flux mechanisms. -from Authors

Vaporisation of candidate nuclear fuels and targets for transmutation of minor actinides

NASA Astrophysics Data System (ADS)

Gotcu-Freis, P.; Hiernaut, J.-P.; Colle, J.-Y.; Nästrén, C.; Carretero, A. Fernandez; Konings, R. J. M.

2011-04-01

The thermal stability and high temperature behaviour of candidate fuels and targets for transmutation of minor actinides has been investigated. Zirconia-based solid solution, MgO-based CERCER and molybdenum-based CERMET fuels containing Am and/or Pu in various concentrations were heated up to 2700 K in a Knudsen cell coupled with a quadrupole mass spectrometer, to measure their vapour pressure and vapour composition. The results reveal that the vaporisation of the actinides from the samples is not only determined by the thermodynamics of the system but is also related to the dynamic evolution of multi-component mixtures with complex composition or microstructure.

Light-induced phenomena in one-component gas: The transport phenomena

NASA Astrophysics Data System (ADS)

Chermyaninov, I. V.; Chernyak, V. G.

2016-09-01

The article presents the theory of transport processes in a one-component gas located in the capillary under the action of resonant laser radiation and the temperature and pressure gradients. The expressions for the kinetic coefficients determining heat and mass transport in the gas are obtained on the basis of the modified Boltzmann equations for the excited and unexcited particles. The Onsager reciprocal relations for cross kinetic coefficients are proven for all Knudsen numbers and for any law interaction of gas particles with each other and boundary surface. Light-induced phenomena associated with the possible non-equilibrium stationary states of system are analyzed.

Evolution of statistical averages: An interdisciplinary proposal using the Chapman-Enskog method

NASA Astrophysics Data System (ADS)

Mariscal-Sanchez, A.; Sandoval-Villalbazo, A.

2017-08-01

This work examines the idea of applying the Chapman-Enskog (CE) method for approximating the solution of the Boltzmann equation beyond the realm of physics, using an information theory approach. Equations describing the evolution of averages and their fluctuations in a generalized phase space are established up to first-order in the Knudsen parameter which is defined as the ratio of the time between interactions (mean free time) and a characteristic macroscopic time. Although the general equations here obtained may be applied in a wide range of disciplines, in this paper, only a particular case related to the evolution of averages in speculative markets is examined.

Spin Self-Rephasing and Very Long Coherence Times in a Trapped Atomic Ensemble

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deutsch, C.; Reinhard, F.; Schneider, T.

2010-07-09

We perform Ramsey spectroscopy on the ground state of ultracold {sup 87}Rb atoms magnetically trapped on a chip in the Knudsen regime. Field inhomogeneities over the sample should limit the 1/e contrast decay time to about 3 s, while decay times of 58{+-}12 s are actually observed. We explain this surprising result by a spin self-rephasing mechanism induced by the identical spin rotation effect originating from particle indistinguishability. We propose a theory of this synchronization mechanism and obtain good agreement with the experimental observations. The effect is general and may appear in other physical systems.

Comparative safety testing of genetically modified foods in a 90-day rat feeding study design allowing the distinction between primary and secondary effects of the new genetic event.

PubMed

Knudsen, Ib; Poulsen, Morten

2007-10-01

This article discusses the wider experiences regarding the usefulness of the 90-day rat feeding study for the testing of whole foods from genetically modified (GM) plant based on data from a recent EU-project [Poulsen, M., Schrøder, M., Wilcks, A., Kroghsbo, S., Lindecrona, R.H., Miller, A., Frenzel, T., Danier, J., Rychlik, M., Shu, Q., Emami, K., Taylor, M., Gatehouse, A., Engel, K.-H., Knudsen, I., 2007a. Safety testing of GM-rice expressing PHA-E lectin using a new animal test design. Food Chem. Toxicol. 45, 364-377; Poulsen, M., Kroghsbo, S., Schrøder, M., Wilcks, A., Jacobsen, H., Miller, A., Frenzel, T., Danier, J., Rychlik, M., Shu, Q., Emami, K., Sudhakar, D., Gatehouse, A., Engel, K.-H., Knudsen, I., 2007b. A 90-day safety in Wistar rats fed genetically modified rice expressing snowdrop lectin Galanthus nivalis (GNA). Food Chem. Toxicol. 45, 350-363; Schrøder, M., Poulsen, M., Wilcks, A., Kroghsbo, S., Miller, A., Frenzel, T., Danier, J., Rychlik, M., Emami, K., Gatehouse, A., Shu, Q., Engel, K.-H., Knudsen, I., 2007. A 90-day safety study of genetically modified rice expressing Cry1Ab protein (Bacillus thuringiensis toxin) in Wistar rats. Food Chem. Toxicol. 45, 339-349]. The overall objective of the project has been to develop and validate the scientific methodology necessary for assessing the safety of foods from genetically modified plants in accordance with the present EU regulation. The safety assessment in the project is combining the results of the 90-day rat feeding study on the GM food with and without spiking with the pure novel gene product, with the knowledge about the identity of the genetic change, the compositional data of the GM food, the results from in-vitro/ex-vivo studies as well as the results from the preceding 28-day toxicity study with the novel gene product, before the hazard characterisation is concluded. The results demonstrated the ability of the 90-day rat feeding study to detect the biological/toxicological effects of the new gene product in the GM food. The authors consider on this basis that the 90-day, rodent feeding study with one high dose level and a dietary design based upon compositional data on the GM food and toxicity data on the gene product is sensitive and specific enough to verify the presence/absence of the biological/nutritional/toxicological effects of the novel gene insert and further by the use of spiking able to separate potentially unintended effects of the novel gene product from other unintended effects at the level of intake defined in the test and within the remit of the test. Recommendations for further work necessary in the field are given.

DOE Office of Scientific and Technical Information (OSTI.GOV)

McMurray, J. W.; Zhou, Y.; Luo, H. M.

We determined the equilibrium vapor pressures, p e, of the ionic liquid tetraoctylphosphonium bis(2-ethylhexyl)phosphate ([P 8888][DEHP]) over the temperature range 409–495 K using mass loss Knudsen effusion. The p e versus temperature relationship compares well to 1-methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide ([C 8mim][NTf 2]) but is lower than that of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C 2mim][NTf 2]) when measured using the same technique. Here, we determined the discrepancies between the p e for [C 8mim][NTf 2] and [C 2mim][NTf 2] with previous studies is discussed. Finally, the enthalpy and entropy of vaporization for all three fluids are estimated from the Clasius-Clapeyron relation.

Vapor Pressures in the Al(I)+Al2O3(s) System: Reconsidering Al2O3(s) Condensation

NASA Technical Reports Server (NTRS)

Copland, Evan

2005-01-01

The vaporization behavior of the A1-O system has been studied on numerous occasions but significant uncertainties remain. The origin of this uncertainty must be understood before A1-O vaporization behavior can be accurately determined. The condensation of A12O3 and clogging of the effusion orifice is a difficult problem for the Knudsen effusion technique that influences the measured vaporization behavior but has only received limited attention. This study reconsiders this behavior in detail. A new theory for A12O3 condensation is proposed together with procedures that will improve the measured thermodynamic properties of A1-O vaporization.

Development and evaluation of die and container materials

NASA Technical Reports Server (NTRS)

Wills, R. R.

1978-01-01

Commercial high purity ultrafine Si3N4, Al2O3, and SiO2 powders were vacuum dried and stored under nitrogen in sealed containers. Extensive analysis of the chemical, physical, and morphological characteristics of these powders was performed. The interaction of molten silicon with fused quartz was examined in a Knudsen cell using a mass spectrometer. The solubility of oxygen at the melting point of silicon was calculated to be 1.78 times 10 to the 18th power atoms/cu cm, and the activity coefficients of oxygen and silicon monoxide, the major vapor species, were calculated to be 4.83 times 10 to the minus 24th power and 0.0000701, respectively.

Relaxation drag history of shock accelerated microparticles

DOE PAGES

Bordoloi, Ankur D.; Martinez, Adam A.; Prestridge, Katherine

2017-06-21

Experimental measurements of the displacements of shock accelerated microparticles from shortly after shock interaction to the particle relaxation time show time-dependent drag coefficients (more » $$C_{D}$$) that are much higher than those predicted by quasi-steady and unsteady drag models. Nylon particles with mean diameter of $$4~\\unicode[STIX]{x03BC}\\text{m}$$, accelerated by one-dimensional normal shocks (Mach number$$M_{s}=1.2$$, 1.3 and 1.4), have measured$$C_{D}$$values that follow a power-law behaviour. The drag is a function of the time-dependent Knudsen number,$$Kn^{\\ast }=M_{s}/Re_{p}$$, where the particle Reynolds number ($$Re_{p}$$) is calculated using the time-dependent slip velocity. Also, some portion of the drag can be attributed to quasi-steady forces, but the total drag cannot be predicted by current unsteady force models that are based on the Basset–Boussinesq–Oseen equation and pressure drag. The largest contribution to the total drag is the unsteady component ($$C_{D,us}$$) until the particle attains$$Kn^{\\ast }\\approx 0.5{-}1.0$$, then the unsteady contribution decays. The quasi-steady component ($$C_{D,qs}$$) increases almost linearly with$$Kn^{\\ast }$$, intersects the$$C_{D,us}$$at$$Kn^{\\ast }\\approx 2$$and becomes the primary contributor to the drag towards the end of the relaxation zone as$$Re_{p}\\rightarrow 0$$. Finally, there are currently no analytical models that are able to predict the nonlinear behaviour of the shock accelerated particles during the relaxation phase of the flow.« less

Relaxation drag history of shock accelerated microparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bordoloi, Ankur D.; Martinez, Adam A.; Prestridge, Katherine

Experimental measurements of the displacements of shock accelerated microparticles from shortly after shock interaction to the particle relaxation time show time-dependent drag coefficients (more » $$C_{D}$$) that are much higher than those predicted by quasi-steady and unsteady drag models. Nylon particles with mean diameter of $$4~\\unicode[STIX]{x03BC}\\text{m}$$, accelerated by one-dimensional normal shocks (Mach number$$M_{s}=1.2$$, 1.3 and 1.4), have measured$$C_{D}$$values that follow a power-law behaviour. The drag is a function of the time-dependent Knudsen number,$$Kn^{\\ast }=M_{s}/Re_{p}$$, where the particle Reynolds number ($$Re_{p}$$) is calculated using the time-dependent slip velocity. Also, some portion of the drag can be attributed to quasi-steady forces, but the total drag cannot be predicted by current unsteady force models that are based on the Basset–Boussinesq–Oseen equation and pressure drag. The largest contribution to the total drag is the unsteady component ($$C_{D,us}$$) until the particle attains$$Kn^{\\ast }\\approx 0.5{-}1.0$$, then the unsteady contribution decays. The quasi-steady component ($$C_{D,qs}$$) increases almost linearly with$$Kn^{\\ast }$$, intersects the$$C_{D,us}$$at$$Kn^{\\ast }\\approx 2$$and becomes the primary contributor to the drag towards the end of the relaxation zone as$$Re_{p}\\rightarrow 0$$. Finally, there are currently no analytical models that are able to predict the nonlinear behaviour of the shock accelerated particles during the relaxation phase of the flow.« less

Separation of methane-nitrogen mixtures using synthesis vertically aligned carbon nanotube membranes

NASA Astrophysics Data System (ADS)

Gilani, Neda; Daryan, Jafar Towfighi; Rashidi, Alimorad; Omidkhah, Mohammad Reza

2012-03-01

In this paper, capabilities of carbon nanotube (CNT) membranes fabricated in cylindrical pores of anodic aluminum oxide (AAO) substrate to separate the binary mixtures of CH4/N2 are studied experimentally. For this purpose, the permeability and selectivity of three CNT/AAO membranes with different growth time as 6 h, 12 h and 18 h are investigated. CNTs are grown vertically through holes of AAO with average pore diameter of 45 nm by chemical vapor deposition (CVD) of acetylene gas. CNT/AAO membranes with the same CNTs' outer diameters and different inner diameters are synthesized. The AAO are characterized by SEM analysis. In addition, SEM, TEM, BET N2 adsorption analysis and Raman spectroscopy are employed to characterize aligned CNTs. Study on permeability and selectivity of membranes for three binary mixtures of CH4/N2 showed that when the CNT inner diameters are 34 nm and 24 nm, viscous flow is the governing mechanism and insignificant selectivities of 1.2-1.24 are achieved. However, the membrane with CNT inner diameter and wall thickness of 8 nm and 16 nm respectively is considerably selective for CH4 over N2. It was also found that CH4 mole fraction in the feed and upstream feed pressure have major effect on permeability and selectivity. The membrane with 18 h synthesis time showed the selectivity is in the range of 1.8-3.85. The enhancement factor for N2 single gas diffusivity was also found to be about three times larger than that predicted by Knudsen diffusion model.

Mass and heat transfer between evaporation and condensation surfaces: Atomistic simulation and solution of Boltzmann kinetic equation.

PubMed

Zhakhovsky, Vasily V; Kryukov, Alexei P; Levashov, Vladimir Yu; Shishkova, Irina N; Anisimov, Sergey I

2018-04-16

Boundary conditions required for numerical solution of the Boltzmann kinetic equation (BKE) for mass/heat transfer between evaporation and condensation surfaces are analyzed by comparison of BKE results with molecular dynamics (MD) simulations. Lennard-Jones potential with parameters corresponding to solid argon is used to simulate evaporation from the hot side, nonequilibrium vapor flow with a Knudsen number of about 0.02, and condensation on the cold side of the condensed phase. The equilibrium density of vapor obtained in MD simulation of phase coexistence is used in BKE calculations for consistency of BKE results with MD data. The collision cross-section is also adjusted to provide a thermal flux in vapor identical to that in MD. Our MD simulations of evaporation toward a nonreflective absorbing boundary show that the velocity distribution function (VDF) of evaporated atoms has the nearly semi-Maxwellian shape because the binding energy of atoms evaporated from the interphase layer between bulk phase and vapor is much smaller than the cohesive energy in the condensed phase. Indeed, the calculated temperature and density profiles within the interphase layer indicate that the averaged kinetic energy of atoms remains near-constant with decreasing density almost until the interphase edge. Using consistent BKE and MD methods, the profiles of gas density, mass velocity, and temperatures together with VDFs in a gap of many mean free paths between the evaporation and condensation surfaces are obtained and compared. We demonstrate that the best fit of BKE results with MD simulations can be achieved with the evaporation and condensation coefficients both close to unity.

Application of Lithium Attachment Mass Spectrometry for Knudsen Evaporation and Chemical Ionisation Mass Spectrometry (KEMS, CIMS)

NASA Astrophysics Data System (ADS)

Bannan, T.; Booth, M.; Benyezzar, M.; Bacak, A.; Alfarra, M. R. R.; Topping, D. O.; Percival, C.

2015-12-01

Lithium ion attachment mass spectrometry provides a non-specific, non-fragmenting and sensitive method for detection of volatile species in the gas phase. The design, manufacture, and results from lithium ion attachment ionisation sources for two mass spectrometry systems are presented. Trace gas analysis is investigated using a modified Chemical Ionization Mass Spectrometer (CIMS) and vapour pressure (VP) measurements using a modified Knudsen Effusion Mass Spectrometer (KEMS) are presented. The Li+ modified CIMS provided limits of detection of 4 ppt for acetone, 0.2 ppt for formic acid, 15 ppt for nitric acid and 120 ppt from ammonia. Despite improvements, the problem of burnout remained persistent. The Li+ CIMS would unlikely be suitable for field or aircraft work, but could be appropriate for certain lab applications. The KEMS currently utilizes an electron impact (EI) ionisation source which provides a highly sensitive source, with the drawback of fragmentation of ionized molecules (Booth et al., 2009). Using Li+ KEMS the VP of samples can be measured without fragmentation and can therefore be used to identify VPs of individual components in mixtures. The validity of using Li+ for determining the VP of mixtures was tested by making single component VP measurements, which showed good agreement with EI measurements of Poly ethylene glycol (PEG) 3 and PEG 4, both when individually measured and when mixed. The Li+ KEMS was then used to investigate a system of atmospheric relevance, α-pinene secondary organic aerosol, generated in a reaction chamber (Alfarra et al., 2012). The VPs of the individual components from this generated sample are within the range we expect for compounds capable of partitioning between the particle and gas phase of an aerosol (0.1-10-5 Pa). Li+ source has a calculated sensitivity approximately 75 times less than that of EI, but the lack of fragmentation using the Li+ source is a significant advantage.

Application of Lithium Attachment Mass Spectrometry for Knudsen Evaporation and Chemical Ionisation Mass Spectrometry (KEMS, CIMS)

NASA Astrophysics Data System (ADS)

Bannan, Thomas; Booth, A. Murray; Alfarra, Rami; Bacak, Asan; Pericval, Carl

2016-04-01

Lithium ion attachment mass spectrometry provides a non-specific, non-fragmenting and sensitive method for detection of volatile species in the gas phase. The design, manufacture, and results from lithium ion attachment ionisation sources for two mass spectrometry systems are presented. Trace gas analysis is investigated using a modified Chemical Ionization Mass Spectrometer (CIMS) and vapour pressure (VP) measurements using a modified Knudsen Effusion Mass Spectrometer (KEMS) are presented. The Li+ modified CIMS provided limits of detection of 4 ppt for acetone, 0.2 ppt for formic acid, 15 ppt for nitric acid and 120 ppt from ammonia. Despite improvements, the problem of burnout remained persistent. The Li+ CIMS would unlikely be suitable for field or aircraft work, but could be appropriate for certain lab applications. The KEMS currently utilizes an electron impact (EI) ionisation source which provides a highly sensitive source, with the drawback of fragmentation of ionized molecules (Booth et al., 2009). Using Li+ KEMS the VP of samples can be measured without fragmentation and can therefore be used to identify VPs of individual components in mixtures. The validity of using Li+ for determining the VP of mixtures was tested by making single component VP measurements, which showed good agreement with EI measurements of Poly ethylene glycol (PEG) 3 and PEG 4, both when individually measured and when mixed. The Li+ KEMS was then used to investigate a system of atmospheric relevance, α-pinene secondary organic aerosol, generated in a reaction chamber (Alfarra et al., 2012). The VPs of the individual components from this generated sample are within the range we expect for compounds capable of partitioning between the particle and gas phase of an aerosol (0.1-10-5 Pa). Li+ source has a calculated sensitivity approximately 75 times less than that of EI, but the lack of fragmentation using the Li+ source is a significant advantage.

High-temperature mass spectrometric study of the vaporization processes and thermodynamic properties of melts in the PbO-B2O3-SiO2 system.

PubMed

Stolyarova, V L; Lopatin, S I; Shilov, A L; Shugurov, S M

2013-07-15

The unique properties of the PbO-B2O3-SiO2 system, especially its extensive range of glass-forming compositions, make it valuable for various practical applications. The thermodynamic properties and vaporization of PbO-B2O3-SiO2 melts are not well established so far and the data obtained on these will be useful for optimization of technology and thermodynamic modeling of glasses. High-temperature Knudsen effusion mass spectrometry was used to study vaporization processes and to determine the partial pressures of components of the PbO-B2O3-SiO2 melts. Measurements were performed with a MS-1301 mass spectrometer. Vaporization was carried out using two quartz effusion cells containing the sample under study and pure PbO (reference substance). Ions were produced by electron ionization at an energy of 25 eV. To facilitate interpretation of the mass spectra, the appearance energies of ions were also measured. Pb, PbO and O2 were found to be the main vapor species over the samples studied at 1100 K. The PbO activities as a function of the composition of the system were derived from the measured PbO partial pressures. The B2O3 and SiO2 activities, the Gibbs energy of formation, the excess Gibbs energy of formation and mass losses in the samples studied were calculated. Partial pressures of the vapor species over PbO-B2O3-SiO2 melts were measured at 1100 K in the wide range of compositions using the Knudsen mass spectrometric method. The data enabled the PbO, B2O3, and SiO2 activities in these melts to be derived and provided evidence of their negative deviations from ideal behavior. Copyright © 2013 John Wiley & Sons, Ltd.

Vaporization of the prototypical ionic liquid BMImNTf₂ under equilibrium conditions: a multitechnique study.

PubMed

Brunetti, Bruno; Ciccioli, Andrea; Gigli, Guido; Lapi, Andrea; Misceo, Nicolaemanuele; Tanzi, Luana; Vecchio Ciprioti, Stefano

2014-08-07

The vaporization behaviour and thermodynamics of the ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethyl)sulfonylimide (BMImNTf2) were studied by combining the Knudsen Effusion Mass Loss (KEML) and Knudsen Effusion Mass Spectrometry (KEMS) techniques. KEML studies were carried out in a large temperature range (398-567) K by using effusion orifices with 0.3, 1, and 3 mm diameters. The vapor pressures so measured revealed no kinetically hindered vaporization effects and provided second-law vaporization enthalpies at the mean experimental temperatures in close agreement with literature. By exploiting the large temperature range covered, the heat capacity change associated with vaporization was estimated, resulting in a value of -66.8 J K(-1) mol(-1), much lower than that predicted from calorimetric measurements on the liquid phase and theoretical calculations on the gas phase. The conversion of the high temperature vaporization enthalpy to 298 K was discussed and the value Δ(l)(g)H(m)(298 K) = (128.6 ± 1.3) kJ mol(-1) assessed on the basis of data from literature and present work. Vapor pressure data were also processed by the third-law procedure using different estimations for the auxiliary thermal functions, and a Δ(l)(g)H(m)(298 K) consistent with the assessed value was obtained, although the overall agreement is sensitive to the accuracy of heat capacity data. KEMS measurements were carried out in the lower temperature range (393-467) K and showed that the largely prevailing ion species is BMIm(+), supporting the common view of BMImNTf2 vaporizing as individual, neutral ion pairs also under equilibrium conditions. By monitoring the mass spectrometric signal of this ion as a function of temperature, a second-law Δ(l)(g)H(m)(298 K) of 129.4 ± 7.3 kJ mol(-1) was obtained, well consistent with KEML and literature results. Finally, by combining KEML and KEMS measurements, the electron impact ionization cross section of BMIm(+) was estimated.

Toward the Elucidation of the Competing Role of Evaporation and Thermal Decomposition in Ionic Liquids: A Multitechnique Study of the Vaporization Behavior of 1-Butyl-3-methylimidazolium Hexafluorophosphate under Effusion Conditions.

PubMed

Volpe, V; Brunetti, B; Gigli, G; Lapi, A; Vecchio Ciprioti, S; Ciccioli, A

2017-11-16

The evaporation/decomposition behavior of the imidazolium ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate (BMImPF 6 ) was investigated in the overall temperature range 425-551 K by means of the molecular-effusion-based techniques Knudsen effusion mass loss (KEML) and Knudsen effusion mass spectrometry (KEMS), using effusion orifices of different size (from 0.2 to 3 mm in diameter). Specific effusion fluxes measured by KEML were found to depend markedly on the orifice size, suggesting the occurrence of a kinetically delayed evaporation/decomposition process. KEMS experiments revealed that other species are present in the vapor phase besides the intact ion pair BMImPF 6 (g) produced by the simple evaporation BMImPF 6 (l) = BMImPF 6 (g), with relative abundances depending on the orifice size-the larger the orifice, the larger the contribution of the BMImPF 6 (g) species. By combining KEML and KEMS results, the conclusion is drawn that in the investigated temperature range, when small effusion orifices are used, a significant part of the mass loss/volatility of BMImPF 6 is due to molecular products formed by decomposition/dissociation processes rather than to evaporated intact ion pairs. Additional experiments performed by nonisothermal thermogravimetry-differential thermal analysis (TG-DTA) further support the evidence of simultaneous evaporation/decomposition, although the conventional decomposition temperature derived from TG curves is much higher than the temperatures covered in effusion experiments. Partial pressures of the BMImPF 6 (g) species were derived from KEMS spectra and analyzed by second- and third-law methods giving a value of Δ evap H 298K ° = 145.3 ± 2.9 kJ·mol -1 for the standard evaporation enthalpy of BMImPF 6 . A comparison is done with the behavior of the 1-butyl-3-methylimidazolium bis(trifluoromethyl)sulfonylimide (BMImNTf 2 ) ionic liquid.

Vaporization behavior of tetraoctylphosphonium bis(2-ethylhexyl)phosphate ionic liquid

DOE PAGES

McMurray, J. W.; Zhou, Y.; Luo, H. M.; ...

2016-11-18

We determined the equilibrium vapor pressures, p e, of the ionic liquid tetraoctylphosphonium bis(2-ethylhexyl)phosphate ([P 8888][DEHP]) over the temperature range 409–495 K using mass loss Knudsen effusion. The p e versus temperature relationship compares well to 1-methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide ([C 8mim][NTf 2]) but is lower than that of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C 2mim][NTf 2]) when measured using the same technique. Here, we determined the discrepancies between the p e for [C 8mim][NTf 2] and [C 2mim][NTf 2] with previous studies is discussed. Finally, the enthalpy and entropy of vaporization for all three fluids are estimated from the Clasius-Clapeyron relation.

Vaporization behavior of tetraoctylphosphonium bis(2-ethylhexyl)phosphate ionic liquid

NASA Astrophysics Data System (ADS)

McMurray, J. W.; Zhou, Y.; Luo, H. M.; Qu, J.

2017-01-01

The equilibrium vapor pressures, pe, of the ionic liquid tetraoctylphosphonium bis(2-ethylhexyl)phosphate ([P8888][DEHP]) over the temperature range 409-495 K were determined for the first time using mass loss Knudsen effusion. The pe versus temperature relationship compares well to 1-methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide ([C8mim][NTf2]) but is lower than that of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][NTf2]) when measured using the same technique. The discrepancies between the pe determined in this work for [C8mim][NTf2] and [C2mim][NTf2] with previous studies is discussed. The enthalpy and entropy of vaporization for all three fluids are estimated from the Clasius-Clapeyron relation.

A particle-particle hybrid method for kinetic and continuum equations

NASA Astrophysics Data System (ADS)

Tiwari, Sudarshan; Klar, Axel; Hardt, Steffen

2009-10-01

We present a coupling procedure for two different types of particle methods for the Boltzmann and the Navier-Stokes equations. A variant of the DSMC method is applied to simulate the Boltzmann equation, whereas a meshfree Lagrangian particle method, similar to the SPH method, is used for simulations of the Navier-Stokes equations. An automatic domain decomposition approach is used with the help of a continuum breakdown criterion. We apply adaptive spatial and time meshes. The classical Sod's 1D shock tube problem is solved for a large range of Knudsen numbers. Results from Boltzmann, Navier-Stokes and hybrid solvers are compared. The CPU time for the hybrid solver is 3-4 times faster than for the Boltzmann solver.

Effect of Thermal Conductivity on the Knudsen Layer at Ablative Surfaces

DTIC Science & Technology

2007-03-23

Bagnoud Building, 1320 Beam Ave., Ann Arbor, MI 48109 J.-L. Cambier Air Force Research Laboratory, 10 East Saturn Blvd...x zyx x b V V VVuV V n VV Vf π β π r (2) 5 ( ) ( ) ⎪⎭ ⎪ ⎬ ⎫ ⎪⎩ ⎪ ⎨ ⎧ ⎥ ⎥ ⎦ ⎤ ⎢ ⎢ ⎣ ⎡ ⋅⎟ ⎟ ⎠ ⎞ ⎜ ⎜ ⎝ ⎛ − ++− ⋅ − ⋅ ⋅ −⋅⋅= T...dx d V VVuV V uVVVVfnVf zyxxTMu ln2 5)(1)()( 2 1 222 1 1 1 ν rr , (3) [ ] ⎟⎟ ⎟ ⎠ ⎞ ⎜⎜ ⎜ ⎝ ⎛ ++− −⋅⎟⎟ ⎠ ⎞ ⎜⎜ ⎝ ⎛

Heterogeneous Interactions of Acetaldehyde and Sulfuric Acid

NASA Technical Reports Server (NTRS)

Michelsen, R. R.; Ashbourn, S. F. M.; Iraci, L. T.

2004-01-01

The uptake of acetaldehyde [CH3CHO] by aqueous sulfuric acid has been studied via Knudsen cell experiments over ranges of temperature (210-250 K) and acid concentration (40-80 wt. %) representative of the upper troposphere. The Henry's law constants for acetaldehyde calculated from these data range from 6 x 10(exp 2) M/atm for 40 wt. % H2SO4 at 228 K to 2 x 10(exp 5) M/atm for 80 wt. % H2SO4 at 212 K. In some instances, acetaldehyde uptake exhibits apparent steady-state loss. The possible sources of this behavior, including polymerization, will be explored. Furthermore, the implications for heterogeneous reactions of aldehydes in sulfate aerosols in the upper troposphere will be discussed.

Kinetic theory of two-temperature polyatomic plasmas

NASA Astrophysics Data System (ADS)

Orlac'h, Jean-Maxime; Giovangigli, Vincent; Novikova, Tatiana; Roca i Cabarrocas, Pere

2018-03-01

We investigate the kinetic theory of two-temperature plasmas for reactive polyatomic gas mixtures. The Knudsen number is taken proportional to the square root of the mass ratio between electrons and heavy-species, and thermal non-equilibrium between electrons and heavy species is allowed. The kinetic non-equilibrium framework also requires a weak coupling between electrons and internal energy modes of heavy species. The zeroth-order and first-order fluid equations are derived by using a generalized Chapman-Enskog method. Expressions for transport fluxes are obtained in terms of macroscopic variable gradients and the corresponding transport coefficients are expressed as bracket products of species perturbed distribution functions. The theory derived in this paper provides a consistent fluid model for non-thermal multicomponent plasmas.

Effects of Atmospheric Conditions and the Land/Atmospheric Interface on Transport of Chemical Vapors from Subsurface Sources

NASA Astrophysics Data System (ADS)

Rice, A. K.; Smits, K. M.; Cihan, A.; Howington, S. E.; Illangasekare, T. H.

2013-12-01

Understanding the movement of chemical vapors and gas through variably saturated soil subjected to atmospheric thermal and mass flux boundary conditions at the land/atmospheric interface is important to many applications, including landmine detection, methane leakage during natural gas production from shale and CO2 leakage from deep geologic storage. New, advanced technologies exist to sense chemical signatures and gas leakage at the land/atmosphere interface, but interpretation of sensor signals remains a challenge. Chemical vapors are subject to numerous interactions while migrating through the soil environment, masking source conditions. The process governing movement of gases through porous media is often assumed to be Fickian diffusion through the air phase with minimal quantification of other processes, such as convective gas flow and temporal or spatial variation in soil moisture. Vapor migration is affected by atmospheric conditions (e.g. humidity, temperature, wind velocity), soil thermal and hydraulic properties and contaminant properties, all of which are physically and thermodynamically coupled. The complex coupling of two drastically different flow regimes in the subsurface and atmosphere is commonly ignored in modeling efforts, or simplifying assumptions are made to treat the systems as de-coupled. Experimental data under controlled laboratory settings are lacking to refine the theory for proper coupling and complex treatment of vapor migration through porous media in conversation with atmospheric flow and climate variations. Improving fundamental understanding and accurate quantification of these processes is not feasible in field settings due to lack of controlled initial and boundary conditions and inability to fully characterize the subsurface at all relevant scales. The goal of this work is to understand the influence of changes in atmospheric conditions to transport of vapors through variably saturated soil. We have developed a tank apparatus with a network of soil and atmospheric sensors and a head space for air flow to simulate the atmospheric boundary layer. Experiments were performed under varying temperature values at the soil surface bounded by the atmospheric boundary layer. The model of Smits et al. [2011], accounting for non-equilibrium phase change and coupled heat, water vapor and liquid water flux through soil, was amended to include organic vapor in the gas phase and migration mechanisms often overlooked in models (thermal and Knudsen diffusion, density driven advection). Experimental results show increased vapor mass flux across the soil/atmospheric interface due to heat applied from the atmosphere and coupling of heat and mass transfer in the shallow subsurface for both steady and diurnal temperature patterns. Comparison of model results to experimental data shows dynamic interactions between transport in porous media and boundary conditions. Results demonstrate the value of considering interactions of the atmosphere and subsurface to better understand chemical gas transport through unsaturated soils and the land/atmospheric interface.

Constructive methods of invariant manifolds for kinetic problems

NASA Astrophysics Data System (ADS)

Gorban, Alexander N.; Karlin, Iliya V.; Zinovyev, Andrei Yu.

2004-06-01

The concept of the slow invariant manifold is recognized as the central idea underpinning a transition from micro to macro and model reduction in kinetic theories. We present the Constructive Methods of Invariant Manifolds for model reduction in physical and chemical kinetics, developed during last two decades. The physical problem of reduced description is studied in the most general form as a problem of constructing the slow invariant manifold. The invariance conditions are formulated as the differential equation for a manifold immersed in the phase space ( the invariance equation). The equation of motion for immersed manifolds is obtained ( the film extension of the dynamics). Invariant manifolds are fixed points for this equation, and slow invariant manifolds are Lyapunov stable fixed points, thus slowness is presented as stability. A collection of methods to derive analytically and to compute numerically the slow invariant manifolds is presented. Among them, iteration methods based on incomplete linearization, relaxation method and the method of invariant grids are developed. The systematic use of thermodynamics structures and of the quasi-chemical representation allow to construct approximations which are in concordance with physical restrictions. The following examples of applications are presented: nonperturbative deviation of physically consistent hydrodynamics from the Boltzmann equation and from the reversible dynamics, for Knudsen numbers Kn∼1; construction of the moment equations for nonequilibrium media and their dynamical correction (instead of extension of list of variables) to gain more accuracy in description of highly nonequilibrium flows; determination of molecules dimension (as diameters of equivalent hard spheres) from experimental viscosity data; model reduction in chemical kinetics; derivation and numerical implementation of constitutive equations for polymeric fluids; the limits of macroscopic description for polymer molecules, etc.

The interaction of propionic and butyric acids with ice and HNO₃-doped ice surfaces at 195-212 K.

PubMed

Romanias, Manolis N; Papadimitriou, Vassileios C; Papagiannakopoulos, Panos

2014-12-04

The interaction of propionic and butyric acids on ice and HNO3-doped ice were studied between 195 and 212 K and low concentrations, using a Knudsen flow reactor coupled with a quadrupole mass spectrometer. The initial uptake coefficients (γ0) of propionic and butyric acids on ice as a function of temperature are given by the expressions: γ0(T) = (7.30 ± 1.0) × 10(-10) exp[(3216 ± 478)/T] and γ0(T) = (6.36 ± 0.76) × 10(-11) exp[(3810 ± 434)/T], respectively; the quoted error limits are at 95% level of confidence. Similarly, γ0 of propionic acid on 1.96 wt % (A) and 7.69 wt % (B) HNO3-doped ice with temperature are given as γ(0,A)(T) = (2.89 ± 0.26) × 10(-8) exp[(2517 ± 266)/T] and γ(0,B)(T) = (2.77 ± 0.29) × 10(-7) exp[(2126 ± 206)/T], respectively. The results show that γ0 of C1 to C4 n-carboxylic acids on ice increase with the alkyl-group length, due to lateral interactions between alkyl-groups that favor a more perpendicular orientation and well packing of H-bonded monomers on ice. The high uptakes (>10(15) molecules cm(-2)) and long recovery signals indicate efficient growth of random multilayers above the first monolayer driven by significant van der Waals interactions. The heterogeneous loss of both acids on ice and HNO3-doped ice particles in dense cirrus clouds is estimated to take a few minutes, signifying rapid local heterogeneous removal by dense cirrus clouds.

D0 Solenoid Upgrade Project: Vacuum Pumping Calculations for the D0 Solenoid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rucinski, R.; /Fermilab

1993-08-02

This engineering note documents the calculations done to determine the vacuum pumping speed for the D-Zero solenoid. The raw calculations are attached. A summary of the results are listed. The vacuum pumping speed of the solenoid is determined by the conductance of the pumping path. At higher pressure ranges during initial pumpdown, the conductances will be rather high. Calculations were not done for the transient pumpdown period, only the steady state type pumping situation. The pressure is assumed to be on the order of 10E-7 torr. This is the free molecular flow regime based on Knudsen number. This pressure regimemore » is also where the pumping speed would be least. The conductances were calculated based on pumping helium gas at a temperature of 300 Kelvin. The total conductance of the pumping path from the solenoid to the inlet of the turbomolecular pump is 11.8 L/s. The effective pumping speed of a 1000 L/s turbo pump attached to this pumping path is 11.7 L/s. The minimum required pumping speed for design purposes was set at 4.3 L/s. This value was arrived at by assuming a warm leak size (10E-8 atm-cc/sec) was not detected during fabrication of the solenoid. It is then assumed that the leak leaks cold liquid helium into the vacuum space. With this leak rate, a 4.3 L/s pumping speed would be able to maintain a 2 x 10E-7 torr pressure in the solenoid vacuum jacket. The solenoid would be able to be operated with this small leak with continuous pumping.« less

Molecular dynamics as a foundation for flux prediction through nanoporous membranes: A vectorized, constraint-free approach to conservative simulations

NASA Astrophysics Data System (ADS)

Inman, Matthew Clay

A novel, open-cathode direct methanol fuel cell (DMFC ) has been designed and built by researchers at the University of North Florida and University of Florida. Foremost among the advances of this system over previous DMFC architectures is a passive water recovery system which allows product water to replenish that consumed at the anode. This is enabled by a specially-designed water pathway combined with a liquid barrier layer (LBL ). The LBL membrane is positioned between the cathode catalyst layer and the cathode gas diffusion layer, and must exhibit high permeability and low diffusive resistance to both oxygen and water vapor, bulk hydrophobicity to hold back the product liquid water, and must remain electrically conductive. Maintaining water balance at optimum operating temperatures is problematic with the current LBL design, forcing the system to run at lower temperatures decreasing the overall system efficiency. This research presents a novel approach to nanoporous membrane design whereby flux of a given species is determined based upon the molecular properties of said species and those of the diffusing medium, the pore geometry, and the membrane thickness. A molecular dynamics (MD ) model is developed for tracking Knudsen regime flows of a Lennard-Jones (LJ ) fluid through an atomistic pore structure, hundreds of thousands of wall collision simulations are performed on the University of Florida HiPerGator supercomputer, and the generated trajectory information is used to develop number density and axial velocity profiles for use in a rigorous approach to total flux calculation absent in previously attempted MD models. Results are compared to other published approaches and diffusion data available in the literature. The impact of this study on various applications of membrane design is discussed and additional simulations and model improvements are outlined for future consideration.

Measuring the Thermodynamics of the Alloy/Scale Interface

NASA Technical Reports Server (NTRS)

Copland, Evan

2004-01-01

A method is proposed for the direct measurement of the thermodynamic properties of the alloy and oxide compound at the alloy/scale interface observed during steady-state oxidation. The thermodynamic properties of the alloy/scale interface define the driving force for solid-state transport in the alloy and oxide compound. Accurate knowledge of thermodynamic properties of the interface will advance our understanding of oxidation behavior. The method is based on the concept of local equilibrium and assumes that an alloy+scale equilibrium very closely approximates the alloy/scale interface observed during steady-state oxidation. The thermodynamics activities of this alloy+scale equilibrium are measured directly by Knudsen effusion-cell mass spectrometer (KEMS) using the vapor pressure technique. The theory and some practical considerations of this method are discussed in terms of beta-NiAl oxidation.

Thermodynamic Properties of the Gaseous Gallium Molybdates and Tungstates

NASA Astrophysics Data System (ADS)

Lopatin, S. I.; Shugurov, S. M.; Gunina, A. O.

2009-10-01

A number of gaseous oxyacid salts have been identified by Knudsen effusion mass spectrometry by vaporizing Ga2O3 from molybdenum and tungsten cells. The stability of gaseous molecules Ga2MoO4, Ga2WO4, Ga2Mo2O7, and Ga2W2O7 was deduced from the measurements. The structures and molecular parameters of all salts investigated were obtained using quantum chemical calculations. On the basis of equilibrium constants measured for gas-phase reactions, the standard formation enthalpies were determined to be -827 ± 26, -843 ± 26, -1578 ± 32, and -1525 ± 34 kJ·mol-1 for Ga2MoO4, Ga2WO4, Ga2Mo2O7, and Ga2W2O7, respectively.

Preliminary evaluation of the role of K2S in MHD hot stream seed recovery

NASA Technical Reports Server (NTRS)

Bennett, J. E.; Kohl, F. J.

1979-01-01

Results are presented for recent analytical and experimental studies of the role of K2S in MHD hot stream seed recovery. The existing thermodynamic data base was found to contain large uncertainties and to be nonexistent for vapor phase K2S. Knudsen cell mass spectrometric experiments were undertaken to determine the vapor species in equilibrium with K2S(c). K atoms and S2 molecules ere found to be the major vapor phase species in vacuum, accounting for greater than 99 percent of the vapor phase. Combustion gas deposition studies using No. 2 Diesel fuel were also undertaken and revealed that condensed phase K2SO3 may potentially be an important compound in the MHD stream at near-stoichiometric combustion.

Thermodynamic properties of the gaseous gallium molybdates and tungstates.

PubMed

Lopatin, S I; Shugurov, S M; Gunina, A O

2009-12-03

A number of gaseous oxyacid salts have been identified by Knudsen effusion mass spectrometry by vaporizing Ga(2)O(3) from molybdenum and tungsten cells. The stability of gaseous molecules Ga(2)MoO(4), Ga(2)WO(4), Ga(2)Mo(2)O(7), and Ga(2)W(2)O(7) was deduced from the measurements. The structures and molecular parameters of all salts investigated were obtained using quantum chemical calculations. On the basis of equilibrium constants measured for gas-phase reactions, the standard formation enthalpies were determined to be -827 +/- 26, -843 +/- 26, -1578 +/- 32, and -1525 +/- 34 kJ.mol(-1) for Ga(2)MoO(4), Ga(2)WO(4), Ga(2)Mo(2)O(7), and Ga(2)W(2)O(7), respectively.

General equations for the motions of ice crystals and water drops in gravitational and electric fields

NASA Technical Reports Server (NTRS)

Nisbet, John S.

1988-01-01

General equations for the Reynolds number of a variety of types of ice crystals and water drops are given in terms of the Davies, Bond, and Knudsen numbers. The equations are in terms of the basic physical parameters of the system and are valid for calculating velocities in gravitational and electric fields over a very wide range of sizes and atmospheric conditions. The equations are asymptotically matched at the bottom and top of the size spectrum, useful when checking large computer codes. A numerical system for specifying the dimensional properties of ice crystals is introduced. Within the limits imposed by such variables as particle density, which have large deviations, the accuracy of velocities appears to be within 10 percent over the entire range of sizes of interest.

Appearance of ionization instability in a low-voltage arc

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kobelevskii, A.V.; Nastoyashchii, A.F.

1986-09-01

The conditions for the appearance of the ionization instability in a low-voltage arc are examined. On the basis of the model of a Knudsen arc a criterion is obtained for the appearance of the instability and the possible types of dispersion relations are analyzed. The possibility of ionization instability in a short arc in cesium vapor is discussed. The results of a numerical investigation of the appearance of ionization instability, including the nonlinear stage, in a two-dimensional formulation of the problem are presented. When the fluctuations in the elec tron temperature are in antiphase with the density fluctuations, stable (long-lived)more » two-dimensional structures, which are characterized by a high degree of modulation of the degree of ionization of the gas, can form.« less

Thermochemistry of Rare Earth Silicates for Environmental Barrier Coatings

NASA Technical Reports Server (NTRS)

Costa, Gustavo; Jacobson, Nathan

2015-01-01

Rare earth silicates are promising candidates as environmental protective coatings (EBCs) for silica-forming ceramics and composites in combustion environments since they are predicted to have lower reactivity with the water vapor combustion products. The reactivity of rare earth silicates is assessed by the thermodynamic activity of the silica component which is best measured by Knudsen effusion mass spectrometry (KEMS). Here, we discuss a novel method based on a reducing agent to increase the partial pressure of SiO(g) which is then used to calculate thermodynamic activity of silica in Y2O3-SiO2 and Yb2O3-SiO2 systems. After the KEMS measurements, samples were probed by X-ray diffraction and their phase content was calculated from Rietveld refinement.

Monitoring marine heavy metal contamination via the chemical analysis of foraminifera and growth increments in bivalves - a pilot study from a Pb and Zn mining region in western Greenland

NASA Astrophysics Data System (ADS)

Jessen, C.; Asmund, G.; Elberling, B.; Frei, D.; Knudsen, C.; Rasmussen, P.

2011-12-01

Annual monitoring of heavy metal concentrations in the fjords (sea water, seaweed, lichens, blue mussels, shorthorn sculpin and Northern prawn) adjacent to the Black Angel lead-zinc mine (active 1973-1990) at Maarmorilik, western Greenland was initiated during operation of the mine and continues through to today. This pilot study tests whether the calcareous shells of bivalves and foraminifera register these known variations in heavy metal concentrations. Live individuals of Mytilus edulis were collected through a transect of monitoring stations in 2009 and PB-Zn concentrations were measured at multiple points within the yearly increments using LA-ICP-MS. Individuals aged between 12 and 28 years were measured and demonstrated a clear signal of mine closure even at 40 km distance from the plant. Foraminifera (Melonis barleeanus) from a sediment core dating from 1880 AD to present have previously been shown to display a greater percentage of deformities during the period of mining activity (Elberling et al. 2003) possibly suggesting a correlation between heavy metal concentrations in sea water and morphological development. LA-ICP-MS analysis of individual foraminifera confirms an increase in Pb-Zn uptake during mining operations. Although it could therefore be expected that Pb-Zn concentrations would be enhanced in the 'deformed' foraminifera relative to the 'non-deformed', no difference in Pb-Zn was concentrations was detected. This short pilot study (Jessen et al.2010) demonstrates the potential of calcareous material as indicators of environmental pollution and their applicability as a monitoring tool in remote regions. Jessen CA, Asmund G, Elberling B, Frei D, Knudsen C and Rasmussen P. 2010 Monitoring marine heavy metal contamination via the chemical analysis of growth increments in bivalves - a pilot study. Danmarks og Grønlands Geologiske Undersøgelse Rapport 2010/86. 1-20 Elberling, B., Knudsen, K. L., Kristensen, P. H., and Asmund, G. (2003) Applying foraminiferal stratigraphy as a biomarker for heavy metal contamination and mining impact in a fiord in West Greenland. Marine Environmental Research 55, 235-256

Thermodynamic properties of gaseous cerium molybdates and tungstates studied by Knudsen effusion mass spectrometry.

PubMed

Shugurov, S M; Panin, A I; Lopatin, S I

2018-06-21

CeO 2 -WO 3 and CeO 2 -MoO 3 catalysts have shown excellent performance in the selective reduction of NO x by ammonia (NH 3 -selective catalytic reduction) over a wide temperature range. Strong interaction between CeO 2 and WO 3 or MoO 3 might be the dominant reason for the high activity of these mixed oxides. Studies of ceria-containing gaseous salts involve considerable experimental difficulties, since the transition of such salts to vapor requires high temperatures. To predict the possibility of the existence of gaseous associates formed by cerium and molybdenum (tungsten) oxides it is important to know their thermodynamic characteristics. Until the present investigation, gaseous cerium oxyacid salts were unknown. Knudsen effusion mass spectrometry was used to determine the partial pressures of vapor species and the equilibrium constants of gas-phase reactions, as well as the formation and atomization enthalpies of gaseous cerium molybdates and tungstates. CeO 2 was evaporated from molybdenum and tungsten effusion cells containing gold metal as a pressure standard. A theoretical study of gaseous cerium gaseous molybdates and tungstates was performed by several quantum chemical methods. In the temperature range 2050-2400 K, CeO, CeO 2 , XO 2 , XO 3 , CeWO 3 , CeXO 4 , CeXO 5 (X = Mo, W) and CeMo 2 O 7 were found to be the main vapor species over the CeO 2 - Mo (W) systems. On the basis of the equilibrium constants of the gaseous reactions, the standard formation enthalpies of gaseous CeWO 3 , CeXO 4 , CeXO 5 (X = Mo, W) and CeMo 2 O 7 at 298 K were determined. Energetically favorable structures of gaseous cerium salts were found and vibrational frequencies were evaluated in the harmonic approximation. The thermal stability of gaseous cerium oxyacid salts was confirmed by high-temperature mass spectrometry. Reaction enthalpies of the gaseous cerium molybdates and tungstates from gaseous cerium, molybdenum and tungsten oxides were evaluated theoretically and the obtained values are in reasonable agreement with the experimental one. This article is protected by copyright. All rights reserved.

Paloma-radon: Atmospheric radon-222 as a geochemical probe for water in the Martian subsoil.

NASA Astrophysics Data System (ADS)

Sabroux, J.-C.; Michielsen, N.; Voisin, V.; Ferry, C.; Richon, P.; Pineau, J.-F.; Le Roulley, J.-C.; Chassefière, E.

2003-04-01

Radon exhalation from a porous soil is known to depend strongly on the soil moisture content: a minute amount of water, or water ice, in the pore space increases dramatically the possibility for radon to migrate far from its parent mineral. We propose to take advantage of this characteristic by using atmospheric radon-222 as a geochemical probe for water in the Martian soil, at least one order of magnitude deeper than the current Mars Odyssey neutron data. Strong thermal inversions during the Martian night will accumulate radon in the lowest atmospheric boundary layer, up to measurable levels despite the comparatively high environmental (cosmic and solar) background radiation and the assumed low uranium content of the upper crust of the planet. Preliminary studies and development of an instrument for the measurement of the Martian atmospheric alpha radioactivity is part of the CNES-supported PALOMA experiment. Two test benches have been implemented, one of them allowing differential measurements of the diffusion of radon in the Martian soil simulant NASA JSC Mars-1, under relevant temperatures and pressures. The other, a 1 m^3 radon-dedicated test bench, aims to characterize the instrument that will measure radon in the Mars environment (7 mb CO_2). Tests on several nuclear radiation detectors show that semiconductor alpha-particle detectors (PIPS) are the best option (already on board the Mars Pathfinder Rover and other platforms). In addition, the detection volume is left open in order to capitalize upon the long (ca. 4 m) alpha track at this low pressure. A stationary diffusion model was developed in order to assess the radon flux at the Mars soil surface. Diffusion of gas in Martian soil is governed by Knudsen diffusion. The radon Knudsen diffusion coefficient was estimated, depending on the soil moisture and relevant structural properties, leading to a radon diffusion length of the order of 20 m. The landed platform PALOMA-Radon instrument will consist of a set of alpha detectors connected to an electronic spectrometer, a system of collimators and an alpha source used for test and calibration purposes.

Thermal characterization of microscale heat convection in rare-gas environment by a steady-state “hot wire” method

NASA Astrophysics Data System (ADS)

Gao, Jianshu; Xie, Danmei; Xiong, Yangheng; Yue, Yanan

2018-06-01

In this work, a steady-state “hot wire” method is developed to study thermal transport around a microwire in a rare-gas environment. The convection heat transfer coefficient (h) around a 25 µm platinum wire is determined to be from 14 W m‑2 K‑1 at 7 Pa to 629 W m‑2 K‑1 at atmospheric pressure. In the free-molecule regime, the Nusselt number is found to be inversely proportional to the Knudsen number, the slope of which is used to determine the slip length as 7.03 × 10‑4 m. In the transition regime, the slip length is found to be 20 times the wire diameter. Under a certain pressure, h decreases with increasing wire temperature, and this trend is more sensitive at high pressures.

Analysis of Flame Deflector Spray Nozzles in Rocket Engine Test Stands

NASA Technical Reports Server (NTRS)

Sachdev, Jai S.; Ahuja, Vineet; Hosangadi, Ashvin; Allgood, Daniel C.

2010-01-01

The development of a unified tightly coupled multi-phase computational framework is described for the analysis and design of cooling spray nozzle configurations on the flame deflector in rocket engine test stands. An Eulerian formulation is used to model the disperse phase and is coupled to the gas-phase equations through momentum and heat transfer as well as phase change. The phase change formulation is modeled according to a modified form of the Hertz-Knudsen equation. Various simple test cases are presented to verify the validity of the numerical framework. The ability of the methodology to accurately predict the temperature load on the flame deflector is demonstrated though application to an actual sub-scale test facility. The CFD simulation was able to reproduce the result of the test-firing, showing that the spray nozzle configuration provided insufficient amount of cooling.

Effect of primary and secondary parameters on analytical estimation of effective thermal conductivity of two phase materials using unit cell approach

NASA Astrophysics Data System (ADS)

S, Chidambara Raja; P, Karthikeyan; Kumaraswamidhas, L. A.; M, Ramu

2018-05-01

Most of the thermal design systems involve two phase materials and analysis of such systems requires detailed understanding of the thermal characteristics of the two phase material. This article aimed to develop geometry dependent unit cell approach model by considering the effects of all primary parameters (conductivity ratio and concentration) and secondary parameters (geometry, contact resistance, natural convection, Knudsen and radiation) for the estimation of effective thermal conductivity of two-phase materials. The analytical equations have been formulated based on isotherm approach for 2-D and 3-D spatially periodic medium. The developed models are validated with standard models and suited for all kind of operating conditions. The results have shown substantial improvement compared to the existing models and are in good agreement with the experimental data.

Molecular dynamics computer simulation of permeation in solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pohl, P.I.; Heffelfinger, G.S.; Fisler, D.K.

1997-12-31

In this work the authors simulate permeation of gases and cations in solid models using molecular mechanics and a dual control volume grand canonical molecular dynamics technique. The molecular sieving nature of microporous zeolites are discussed and compared with that for amorphous silica made by sol-gel methods. One mesoporous and one microporous membrane model are tested with Lennard-Jones gases corresponding to He, H{sub 2}, Ar and CH{sub 4}. The mesoporous membrane model clearly follows a Knudsen diffusion mechanism, while the microporous model having a hard-sphere cutoff pore diameter of {approximately}3.4 {angstrom} demonstrates molecular sieving of the methane ({sigma} = 3.8more » {angstrom}) but anomalous behavior for Ar ({sigma} = 3.4 {angstrom}). Preliminary results of Ca{sup +} diffusion in calcite and He/H{sub 2} diffusion in polyisobutylene are also presented.« less

Experimental and computational study on the molecular energetics of indoline and indole.

PubMed

da Silva, Manuel A V Ribeiro; Cabral, Joana I T A; Gomes, José R B

2008-11-27

Static bomb calorimetry, Calvet microcalorimetry and the Knudsen effusion technique were used to determine the standard molar enthalpy of formation in the gas phase, at T = 298.15 K, of the indole and indoline heterocyclic compounds. The values obtained were 164.3 +/- 1.3 kJ x mol(-1) and 120.0 +/- 2.9 kJ x mol(-1), respectively. Several different computational approaches and different working reactions were used to estimate the gas-phase enthalpies of formation for indole and indoline. The computational approaches support the experimental results reported. The calculations were further extended to the determination of other properties such as bond dissociation enthalpies, gas-phase acidities, proton and electron affinities and ionization energies. The agreement between theoretical and experimental data for indole is very good supporting the data calculated for indoline.

A Harmonic Solution for the Hyperbolic Heat Conduction Equation and Its Relationship to the Guyer-Krumhansl Equation

NASA Astrophysics Data System (ADS)

Zhukovsky, K. V.

2018-01-01

A particular solution of the hyperbolic heat-conduction equation was constructed using the method of operators. The evolution of a harmonic solution is studied, which simulates the propagation of electric signals in long wire transmission lines. The structures of the solutions of the telegraph equation and of the Guyer-Krumhansl equation are compared. The influence of the phonon heat-transfer mechanism in the environment is considered from the point of view of heat conductivity. The fulfillment of the maximum principle for the obtained solutions is considered. The frequency dependences of heat conductivity in the telegraph equation and in an equation of the Guyer-Krumhansl type are studied and compared with each other. The influence of the Knudsen number on heat conductivity in the model of thin films is studied.

Heat loss and drag of spherical drop tube samples

NASA Technical Reports Server (NTRS)

Wallace, D. B.

1982-01-01

Analysis techniques for three aspects of the performance of the NASA/MSFC 32 meter drop tube are considered. Heat loss through the support wire in a pendant drop sample, temperature history of a drop falling through the drop tube when the tube is filled with helium gas at various pressures, and drag and resulting g-levels experienced by a drop falling through the tube when the tube is filled with helium gas at various pressures are addressed. The developed methods apply to systems with sufficiently small Knudsen numbers for which continuum theory may be applied. Sample results are presented, using niobium drops, to indicate the magnitudes of the effects. Helium gas at one atmosphere pressure can approximately double the amount of possible undercooling but it results in an apparent gravity levels of up to 0.1 g.

DG-IMEX Stochastic Galerkin Schemes for Linear Transport Equation with Random Inputs and Diffusive Scalings

DOE PAGES

Chen, Zheng; Liu, Liu; Mu, Lin

2017-05-03

In this paper, we consider the linear transport equation under diffusive scaling and with random inputs. The method is based on the generalized polynomial chaos approach in the stochastic Galerkin framework. Several theoretical aspects will be addressed. Additionally, a uniform numerical stability with respect to the Knudsen number ϵ, and a uniform in ϵ error estimate is given. For temporal and spatial discretizations, we apply the implicit–explicit scheme under the micro–macro decomposition framework and the discontinuous Galerkin method, as proposed in Jang et al. (SIAM J Numer Anal 52:2048–2072, 2014) for deterministic problem. Lastly, we provide a rigorous proof ofmore » the stochastic asymptotic-preserving (sAP) property. Extensive numerical experiments that validate the accuracy and sAP of the method are conducted.« less

A thermodynamic study of the gaseous thorium carbides, ThC, ThC2, ThC3, ThC4, ThC5, and ThC6

NASA Astrophysics Data System (ADS)

Gupta, Satish K.; Gingerich, Karl A.

1980-02-01

Six gaseous carbides of thorium, ThCn(n=1-6), have been identified in a Knudsen effusion mass spectrometric investigation of the vapor phase above a thorium-uranium-rhodium-graphite system at high temperatures. The partial pressures of the thorium containing species were measured as a function of temperature in the 2300-2700 °K range. Third law enthalpies for the reactions Th(g)+nC(graphite) =ThCn, n=1 to 6, and of various other homogeneous and heterogeneous reactions were evaluated. By combining the experimental enthalpies with appropriate thermodynamic data taken from literature, the following values for the atomization energies ΔH °at,298, and standard heats of formation ΔH °f,298 of thorium carbides have been derived:

Dissociation Energies of the Alkaline Earth Monofluorides

DOE Office of Scientific and Technical Information (OSTI.GOV)

BLUE, GARY D.; GREEN, JOHN W.; EHLERT, THOMAS C.

1963-08-24

New results and theoretical calculations are presented that indicate consistently high dissocintion energies for all the alkaline earth monofluorides. Experimental results were obtained by utilizing a mass spectrometer to analyze the vapors from a heated Ta Knudsen cell containing an alkaline earth fluoride salt with Al present as a reducing agent. Ionization efficiency curves were obtained and temperature dependence investigations were made to determine the molecular precursor of the ions observed. Values of the equilibrium constants at different temperatures were used together with the free-energy functions to calculate the third law heats of reaction at 298 deg K. Data aremore » tabulated for the heats of various reactions for Al--MF2 systems with M = Mg, Ca, Sr, and Ba, and dissociation energies of MF molecules by various methods for Be, Mg, Ca, Sr, and Ba. (C.H.)« less

Implementation of parallel moment equations in NIMROD

NASA Astrophysics Data System (ADS)

Lee, Hankyu Q.; Held, Eric D.; Ji, Jeong-Young

2017-10-01

As collisionality is low (the Knudsen number is large) in many plasma applications, kinetic effects become important, particularly in parallel dynamics for magnetized plasmas. Fluid models can capture some kinetic effects when integral parallel closures are adopted. The adiabatic and linear approximations are used in solving general moment equations to obtain the integral closures. In this work, we present an effort to incorporate non-adiabatic (time-dependent) and nonlinear effects into parallel closures. Instead of analytically solving the approximate moment system, we implement exact parallel moment equations in the NIMROD fluid code. The moment code is expected to provide a natural convergence scheme by increasing the number of moments. Work in collaboration with the PSI Center and supported by the U.S. DOE under Grant Nos. DE-SC0014033, DE-SC0016256, and DE-FG02-04ER54746.

The Superheat Phenomenon in the Combustion of Magnesium Particles

NASA Technical Reports Server (NTRS)

Shafirovich, E. IA.; Goldshleger, U. I.

1992-01-01

Magnesium is known to be a likely fuel for engines that could work in the CO2 atmospheres of Mars and Venus. The present paper reports temperature measurements of magnesium samples during combustion in CO2. The burning sample temperature increases with the decrease in the initial size. The temperature of the 1-mm samples is 300-400 K higher than the boiling point of magnesium. The stability of the superheated drop is explained by the presence of a porous shell on the surface. An attempt has been made to describe vaporization on the superheated drop by the Knudsen-Langmuir equation. During combustion at high-pressure fragment ejection of the flame is observed in high-speed motion pictures. This phenomenon is shown to be connected with the drop superheat. The repeated fracture of the outer shell formed in the flame ensures the complete burnout of metal particles at high pressure.

Energy Equivalence of Information in the Mitochondrion and the Thermodynamic Efficiency of ATP Synthase.

PubMed

Matta, Chérif F; Massa, Lou

2015-09-01

Half a century ago, Johnson and Knudsen resolved the puzzle of the apparent low efficiency of the kidney (∼ 0.5%) compared to most other bodily organs (∼ 40%) by taking into account the entropic cost of ion sorting, the principal function of this organ. Similarly, it is shown that the efficiency of energy transduction of the chemiosmotic proton-motive force by ATP synthase is closer to 90% instead of the oft-quoted textbook value of only 60% when information theoretic considerations are applied to the mitochondrion. This high efficiency is consistent with the mechanical energy transduction of ATP synthase known to be close to the 100% thermodynamic limit. It would have been wasteful for evolution to maximize the mechanical energy transduction to 100% while wasting 40% of the chemiosmotic free energy in the conversion of the proton-motive force into mechanical work before being captured as chemical energy in adenosine 5'-triphosphate.

The Process of Developing a Multi-Cell KEMS Instrument

NASA Technical Reports Server (NTRS)

Copland, E. H.; Auping, J. V.; Jacobson, N. S.

2012-01-01

Multi-cell KEMS offers many advantages over single cell instruments in regard to in-situ temperature calibration and studies on high temperature alloys and oxides of interest to NASA. The instrument at NASA Glenn is a 90 deg magnetic sector instrument originally designed for single cell operation. The conversion of this instrument to a multi-cell instrument with restricted collimation is discussed. For restricted collimation, the 'field aperture' is in the copper plate separating the Knudsen Cell region and the ionizer and the 'source aperture' is adjacent to the ionizer box. A computer controlled x-y table allows positioning of one of the three cells into the sampling region. Heating is accomplished via a Ta sheet element and temperature is measured via an automatic pyrometer from the bottom of the cells. The computer control and data system have been custom developed for this instrument and are discussed. Future improvements are also discussed.

Asymptotic solution of the diffusion equation in slender impermeable tubes of revolution. I. The leading-term approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Traytak, Sergey D., E-mail: sergtray@mail.ru; Le STUDIUM; Semenov Institute of Chemical Physics RAS, 4 Kosygina St., 117977 Moscow

The anisotropic 3D equation describing the pointlike particles diffusion in slender impermeable tubes of revolution with cross section smoothly depending on the longitudinal coordinate is the object of our study. We use singular perturbations approach to find the rigorous asymptotic expression for the local particles concentration as an expansion in the ratio of the characteristic transversal and longitudinal diffusion relaxation times. The corresponding leading-term approximation is a generalization of well-known Fick-Jacobs approximation. This result allowed us to delineate the conditions on temporal and spatial scales under which the Fick-Jacobs approximation is valid. A striking analogy between solution of our problemmore » and the method of inner-outer expansions for low Knudsen numbers gas kinetic theory is established. With the aid of this analogy we clarify the physical and mathematical meaning of the obtained results.« less

Atomization, drop size, and penetration for cross-stream water injection at high-altitude reentry conditions with application to the RAM C-1 and C-3 flights

NASA Technical Reports Server (NTRS)

Gooderum, P. B.; Bushnell, D. M.

1972-01-01

Atomization, drop size, and penetration data are presented for cross stream water injection at conditions simulating high altitude reentry (low Weber number, high static temperature, high Knudsen number, and low static pressure). These results are applied to the RAM C-1 and C-3 flights. Two primary breakup modes are considered, vapor pressure or flashing and aerodynamic atomization. Results are given for breakup boundaries and mean drop size for each of these atomization mechanisms. Both standard and flight orifice geometries are investigated. The data were obtained in both a static environment and in conventional aerodynamic facilities at Mach numbers of 4.5 and 8. The high temperature aspects of reentry were simulated in a Mach 5.5 cyanogen-oxygen tunnel with total temperature of 4500 K.

Kinetics of dodecanoic acid adsorption from caustic solution by activated carbon.

PubMed

Pendleton, Phillip; Wu, Sophie Hua

2003-10-15

This study examines the influences of adsorbent porosity and surface chemistry and of carbon dosage on dodecanoic acid adsorption kinetics from aqueous and 2 M NaOH solutions as batch adsorption processes. Both adsorbents are steam-activated carbons prepared from either coconut or coal precursors. Prior to use the adsorbents were washed in deionized water or 2 M NaOH. Mass transfer coefficients and effective overall diffusion coefficients indicate a minor contribution from adsorbent porosity. In contrast, high surface oxygen content impedes transport to and into the adsorbent structure. Carbon dosage shows a proportional increase in transport coefficients with increasing mass; these coefficients are constant when normalized per unit mass. Neither water nor NaOH treatment of the adsorbents has a significant influence on dodecanoic acid adsorption kinetics. Molecular and Knudsen diffusion coefficients are defined to demonstrate that the overall effective diffusion coefficient values and the diffusion process are controlled by surface diffusion.

Knudsen torque: A rotational mechanism driven by thermal force

NASA Astrophysics Data System (ADS)

Li, Qi; Liang, Tengfei; Ye, Wenjing

2014-09-01

Thermally induced mechanical loading has been shown to have significant effects on micro- and nano-objects immersed in a gas with a nonuniform temperature field. While the majority of existing studies and related applications focus on forces, we investigate the torque, and thus the rotational motion, produced by such a mechanism. Our study has found that a torque can be induced if the configuration of the system is asymmetric. In addition, both the magnitude and the direction of the torque depend highly on the system configuration, indicating the possibility of manipulating the rotational motion via geometrical design. Based on this feature, two types of rotational micromotor that are of practical importance, namely pendulum motor and unidirectional motor, are designed. The magnitude of the torque at Kn =0.5 can reach to around 2nN×μm for a rectangular microbeam with a length of 100μm.

Thermodynamic study of the gaseous thorium carbides, ThC, ThC/sub 2/, ThC/sub 3/, ThC/sub 4/, ThC/sub 5/, and ThC/sub 6/

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gupta, S.K.; Gingerich, K.A.

Six gaseous carbides of thorium, ThC/sub n/(n=1--6), have been identified in a Knudsen effusion mass spectrometric investigation of the vapor phase above a thorium--uranium--rhodium--graphite system at high temperatures. The partial pressures of the thorium containing species were measured as a function of temperature in the 2300--2700 /sup 0/K range. Third law enthalpies for the reactions Th(g)+nC(graphite) =ThC/sub n/, n=1 to 6, and of various other homogeneous and heterogeneous reactions were evaluated. By combining the experimental enthalpies with appropriate thermodynamic data taken from literature, the following values for the atomization energies ..delta..H /sup 0//sub at,298/, and standard heats of formation ..delta..H/supmore » tsdegree//sub f/,298 of thorium carbides have been derived:« less

Light-induced cross transport phenomena in a single-component gas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chermyaninov, I. V.; Chernyak, V. G., E-mail: Vladimir.Chernyak@usu.ru

2013-07-15

The cross transport processes that occur in a single-component gas in a capillary and are caused by resonance laser radiation and pressure and temperature gradients are studied. An expression for entropy production is derived using a system of kinetic Boltzmann equations in a linear approximation. The kinetic coefficients that determine the transport processes are shown to satisfy the Onsager reciprocal relations at any Knudsen numbers and any character of the elastic interaction of gas particles with the capillary surface. The light-induced baro- and thermoeffects that take place in a closed heat-insulated system in the field of resonance laser radiation aremore » considered. Analytical expressions are obtained for the Onsager coefficients in an almost free-molecular regime. The light-induced pressure and temperature gradients that appear in a closed heat-insulated capillary under typical experimental conditions are numerically estimated.« less

Chemical Reactions in the Processing of Mosi2 + Carbon Compacts

NASA Technical Reports Server (NTRS)

Jacobson, Nathan S.; Lee, Kang N.; Maloy, Stuart A.; Heuer, Arthur H.

1993-01-01

Hot-pressing of MoSi2 powders with carbon at high temperatures reduces the siliceous grain boundary phase in the resultant compact. The chemical reactions in this process were examined using the Knudsen cell technique. A 2.3 wt pct oxygen MoSi2 powder and a 0.59 wt pct oxygen MoSi2 powder, both with additions of 2 wt pct carbon, were examined. The reduction of the siliceous grain boundary phase was examined at 1350 K and the resultant P(SiO)/P(CO) ratios interpreted in terms of the SiO(g) and CO(g) isobars on the Si-C-O predominance diagram. The MoSi2 + carbon mixtures were then heated at the hot-pressing temperature of 2100 K. Large weight losses were observed and could be correlated with the formation of a low-melting eutectic and the formation and vaporization of SiC.

Pressure-assisted synthesis of HKUST-1 thin film on polymer hollow fiber at room temperature toward gas separation.

PubMed

Mao, Yiyin; Li, Junwei; Cao, Wei; Ying, Yulong; Sun, Luwei; Peng, Xinsheng

2014-03-26

The scalable fabrication of continuous and defect-free metal-organic framework (MOF) films on the surface of polymeric hollow fibers, departing from ceramic supported or dense composite membranes, is a huge challenge. The critical way is to reduce the growth temperature of MOFs in aqueous or ethanol solvents. In the present work, a pressure-assisted room temperature growth strategy was carried out to fabricate continuous and well-intergrown HKUST-1 films on a polymer hollow fiber by using solid copper hydroxide nanostrands as the copper source within 40 min. These HKUST-1 films/polyvinylidenefluoride (PVDF) hollow fiber composite membranes exhibit good separation performance for binary gases with selectivity 116% higher than Knudsen values via both inside-out and outside-in modes. This provides a new way to enable for scale-up preparation of HKUST-1/polymer hollow fiber membranes, due to its superior economic and ecological advantages.

Solubility of methanol in low-temperature aqueous sulfuric acid and implications for atmospheric particle composition

NASA Technical Reports Server (NTRS)

Iraci, Laura T.; Essin, Andrew M.; Golden, David M.; Hipskind, R. Stephen (Technical Monitor)

2001-01-01

Using traditional Knudsen cell techniques, we find well-behaved Henry's law uptake of methanol in aqueous 45 - 70 wt% H2SO4 solutions at temperatures between 197 and 231 K. Solubility of methanol increases with decreasing temperature and increasing acidity, with an effective Henry's law coefficient ranging from 10(exp 5) - 10(exp 8) M/atm. Equilibrium uptake of methanol into sulfuric acid aerosol particles in the upper troposphere and lower stratosphere will not appreciably alter gas-phase concentrations of methanol. The observed room temperature reaction between methanol and sulfuric acid is too slow to provide a sink for gaseous methanol at the temperatures of the upper troposphere and lower stratosphere. It is also too slow to produce sufficient quantities of soluble reaction products to explain the large amount of unidentified organic material seen in particles of the upper troposphere.

Quasi-Static Alfv{é}n Dynamics and Scale-Dependent Energy Deposition in Magnetosphere-Ionosphere Coupling

NASA Astrophysics Data System (ADS)

Lotko, W.; Lysak, R. L.; Streltsov, A. V.

2002-12-01

Alfv{é}n wave dynamics become quasi-static in the ionosphere and low-altitude magnetosphere in the ULF regime below 10 mHz and at altitudes less than a few RE when the following two conditions are met: ω L RE << vA (l) and ω l << 1 / μ 0 Σ P. L is the dipole shell parameter, ω is the wave frequency in radians, l represents field-aligned distance above the ionosphere, vA (l) is the local Alfv{é}n speed, and Σ P is the ionospheric Pedersen conductance. In this limit, reactive power stored in Alfv{é}nic fluctuations at high altitude flows quasi-statically into ionospheric Joule heating and low-altitude collisionless dissipation. The combined dissipative effects are described by the electrostatic model of Chiu-Cornwall-Lyons [1980] which captures the transverse wavelength dependence of low-altitude Alfv{é}nic energy deposition. The analysis and results described here 1) correspond to the low-altitude, low-frequency limit of theories for the interaction of an Alfv{é}n wave with the ionosphere [Knudsen et al., 1992], including effects of a low-altitude collisionless dissipation layer [Vogt and Haerendel, 1998], and field line eigenmodes with allowance for finite ionospheric conductivity and realistic parallel inhomogeneity [Allan and Knox, 1979]; 2) reconcile the interpretation of inverted-V precipitation regions as electrostatic potential structures with electromagnetic energy deposition via Alfv{é}n waves at frequencies below 10 mHz; 3) provide criteria for the validity of the Knight current-voltage relation in the ULF regime and its use in global MHD simulations; 4) relate low-altitude satellite measurements of both ``static'' and ULF electric and magnetic fields directly to the ionospheric Pedersen conductivity; and 5) offer a resolution to debates about high-altitude closure of auroral potential structures as O-, U-, or S-potential forms.

Modelled isotopic fractionation and transient diffusive release of methane from potential subsurface sources on Mars

NASA Astrophysics Data System (ADS)

Stevens, Adam H.; Patel, Manish R.; Lewis, Stephen R.

2017-01-01

We calculate transport timescales of martian methane and investigate the effect of potential release mechanisms into the atmosphere using a numerical model that includes both Fickian and Knudsen diffusion. The incorporation of Knudsen diffusion, which improves on a Fickian description of transport given the low permeability of the martian regolith, means that transport timescales from sources collocated with a putative martian water table are very long, up to several million martian years. Transport timescales also mean that any temporally varying source process, even in the shallow subsurface, would not result in a significant, observable variation in atmospheric methane concentration since changes resulting from small variations in flux would be rapidly obscured by atmospheric transport. This means that a short-lived 'plume' of methane, as detected by Mumma et al. (2009) and Webster et al. (2014), cannot be reconciled with diffusive transport from any reasonable depth and instead must invoke alternative processes such as fracturing or convective plumes. It is shown that transport through the martian regolith will cause a significant change in the isotopic composition of the gas, meaning that methane release from depth will produce an isotopic signature in the atmosphere that could be significantly different than the source composition. The deeper the source, the greater the change, and the change in methane composition in both δ13C and δD approaches -1000 ‰ for sources at a depth greater than around 1 km. This means that signatures of specific sources, in particular the methane produced by biogenesis that is generally depleted in 13CH4 and CH3D, could be obscured. We find that an abiogenic source of methane could therefore display an isotopic fractionation consistent with that expected for biogenic source processes if the source was at sufficient depth. The only unambiguous inference that can be made from measurements of methane isotopes alone is a measured δ13C or δD close to zero or positive implies a shallow, abiogenic source. The effect of transport processes must therefore be carefully considered when attempting to identify the source of any methane observed by future missions, and the severe depletion in heavier isotopologues will have implications for the sensitivity requirements for future missions that aim to measure the isotopic fractionation of methane in the martian atmosphere.

A non-Linear transport model for determining shale rock characteristics

NASA Astrophysics Data System (ADS)

Ali, Iftikhar; Malik, Nadeem

2016-04-01

Unconventional hydrocarbon reservoirs consist of tight porous rocks which are characterised by nano-scale size porous networks with ultra-low permeability [1,2]. Transport of gas through them is not well understood at the present time, and realistic transport models are needed in order to determine rock properties and for estimating future gas pressure distribution in the reservoirs. Here, we consider a recently developed non-linear gas transport equation [3], ∂p-+ U ∂p- = D ∂2p-, t > 0, (1) ∂t ∂x ∂x2 complimented with suitable initial and boundary conditions, in order to determine shale rock properties such as the permeability K, the porosity φ and the tortuosity, τ. In our new model, the apparent convection velocity, U = U(p,px), and the apparent diffusivity D = D(p), are both highly non-linear functions of the pressure. The model incorporate various flow regimes (slip, surface diffusion, transition, continuum) based upon the Knudsen number Kn, and also includes Forchchiemers turbulence correction terms. In application, the model parameters and associated compressibility factors are fully pressure dependent, giving the model more realism than previous models. See [4]. Rock properties are determined by solving an inverse problem, with model parameters adjustment to minimise the error between the model simulation and available data. It is has been found that the proposed model performs better than previous models. Results and details of the model will be presented at the conference. Corresponding author: namalik@kfupm.edu.sa and nadeem_malik@cantab.net References [1] Cui, X., Bustin, A.M. and Bustin, R., "Measurements of gas permeability and diffusivity of tight reservoir rocks: different approaches and their applications", Geofluids 9, 208-223 (2009). [2] Chiba R., Fomin S., Chugunov V., Niibori Y. and Hashida T., "Numerical Simulation of Non Fickian Diffusion and Advection in a Fractured Porous Aquifer", AIP Conference Proceedings 898, 75 (2007); doi: 10.1063/1.2721253 [3] Ali, I. "A numerical study of shale gas flow in tight porous media through non-linear transport model", PhD Dissertation, King Fahd University of Petroleum and Minerals. Submitted (2016). [4]. Civan, F., Rai, C.S., Sondergeld, C.H.: Shale-gas permeability and diffusivity inferred by improved formulation of relevant retention and transport mechanisms. Transport in Porous Media, 86(3), 925-944 (2011). Acknowledgement: The authors would like to acknowledge the support provided by King Abdulaziz City for Science and Technology (KACST) through the Science Technology Unit at King Fahd University of Petroleum and Minerals (KFUPM) for funding this work through project No. 14-OIL280-04.

Ultra-fast vapor generation by a graphene nano-ratchet: a theoretical and simulation study.

PubMed

Ding, Hongru; Peng, Guilong; Mo, Shenqiu; Ma, Dengke; Sharshir, Swellam Wafa; Yang, Nuo

2017-12-14

Vapor generation is of prime importance for a broad range of applications: domestic water heating, desalination and wastewater treatment, etc. However, slow and inefficient evaporation limits its development. In this study, a nano-ratchet, a multilayer graphene with cone-shaped nanopores (MGCN), to accelerate vapor generation has been proposed. By performing molecular dynamics simulation, we found that air molecules were spontaneously transported across MGCN and resulted in a remarkable pressure difference, 21 kPa, between the two sides of MGCN. We studied the dependence of the pressure difference on the ambient temperature and geometry of MGCN in detail. Through further analysis of the diffusive transport, we found that pressure difference depended on the competition between ratchet transport and Knudsen diffusion and it was further found that ratchet transport is dominant. The significant pressure difference could lead to a 15-fold or greater enhancement of vapor generation, which shows the wide applications of this nano-ratchet.

An ultrahigh vacuum, low-energy ion-assisted deposition system for III-V semiconductor film growth

NASA Astrophysics Data System (ADS)

Rohde, S.; Barnett, S. A.; Choi, C.-H.

1989-06-01

A novel ion-assisted deposition system is described in which the substrate and growing film can be bombarded with high current densities (greater than 1 mA/sq cm) of very low energy (10-200 eV) ions. The system design philosophy is similar to that used in III-V semiconductor molecular-beam epitaxy systems: the chamber is an all-metal ultrahigh vacuum system with liquid-nitrogen-cooled shrouds, Knudsen-cell evaporation sources, a sample insertion load-lock, and a 30-kV reflection high-energy electron diffraction system. III-V semiconductor film growth is achieved using evaporated group-V fluxes and group-III elemental fluxes sputtered from high-purity targets using ions extracted from a triode glow discharge. Using an In target and an As effusion cell, InAs deposition rates R of 2 microns/h have been obtained. Epitaxial growth of InAs was observed on both GaSb(100) and Si(100) substrates.

Exploring Ultimate Water Capillary Evaporation in Nanoscale Conduits.

PubMed

Li, Yinxiao; Alibakhshi, Mohammad Amin; Zhao, Yihong; Duan, Chuanhua

2017-08-09

Capillary evaporation in nanoscale conduits is an efficient heat/mass transfer strategy that has been widely utilized by both nature and mankind. Despite its broad impact, the ultimate transport limits of capillary evaporation in nanoscale conduits, governed by the evaporation/condensation kinetics at the liquid-vapor interface, have remained poorly understood. Here we report experimental study of the kinetic limits of water capillary evaporation in two dimensional nanochannels using a novel hybrid channel design. Our results show that the kinetic-limited evaporation fluxes break down the limits predicated by the classical Hertz-Knudsen equation by an order of magnitude, reaching values up to 37.5 mm/s with corresponding heat fluxes up to 8500 W/cm 2 . The measured evaporation flux increases with decreasing channel height and relative humidity but decreases as the channel temperature decreases. Our findings have implications for further understanding evaporation at the nanoscale and developing capillary evaporation-based technologies for both energy- and bio-related applications.

Numerical simulation of exploding pusher targets

NASA Astrophysics Data System (ADS)

Atzeni, S.; Rosenberg, M. J.; Gatu Johnson, M.; Petrasso, R. D.

2017-10-01

Exploding pusher targets, i.e. gas-filled large aspect-ratio glass or plastic shells, driven by a strong laser-generated shock, are widely used as pulsed sources of neutrons and fast charged particles. Recent experiments on exploding pushers provided evidence for the transition from a purely fluid behavior to a kinetic one. Indeed, fluid models largely overpredict yield and temperature as the Knudsen number Kn (ratio of ion mean-free path to compressed gas radius) is comparable or larger than one. At Kn = 0.3 - 1, fluid codes reasonably estimate integral quantities as yield and neutron-averaged temperatures, but do not reproduce burn radii, burn profiles and DD/DHe3 yield ratio. This motivated a detailed simulation study of intermediate-Kn exploding pushers. We will show how simulation results depend on models for laser-interaction, electron conductivity (flux-limited local vs nonlocal), viscosity (physical vs artificial), and ion mixing. Work partially supported by Sapienza Project C26A15YTMA, Sapienza 2016 (n. 257584), and Eurofusion Project AWP17-ENR-IFE-CEA-01.

JSUS solar thermal thruster and its integration with thermionic power converter

NASA Astrophysics Data System (ADS)

Shimizu, Morio; Eguchi, Kunihisa; Itoh, Katsuya; Sato, Hitoshi; Fujii, Tadayuki; Okamoto, Ken-Ichi; Igarashi, Tadashi

1998-01-01

This paper describes solar heating test results of a single crystal Mo thruster of solar thermal propulsion (STP) with super high-temperature brazing of Mo/Ru for hydrogen-gas sealing, using the paraboloidal concentrator of 1.6 m diameter newly installed in NAL in the Japan Solar Upper Stage (JSUS) research program. The designed thruster has a target Isp about 800 sec for 2,250 K or higher temperatures of hydrogen propellant. Additionally, tungsten CVD-coating was applied to a outer surface of the thruster in order to prevent vaporization of the wall material and Mo/Ru under the condition of high temperature over 2,500K and high vacuum. Also addressed in our paper is solar thermionic power module design for the integration with the STP receiver. The thermionic converter (TIC) module is of a planar type in a Knudsen-mode operation and provides a high conversion efficiency of 23% at the TIC emitter temperature of nearly 1,850 K for a heat input flux of 24 W/cm2.

Overview of MEMS/NEMS technology development for space applications at NASA/JPL

NASA Astrophysics Data System (ADS)

George, Thomas

2003-04-01

This paper highlights the current technology development activities of the MEMS Technology Group at JPL. A diverse range of MEMS/NEMS technologies are under development, that are primarily applicable to NASA"s needs in the area of robotic planetary exploration. MEMS/NEMS technologies have obvious advantages for space applications, since they offer the promise of highly capable devices with ultra low mass, size and power consumption. However, the key challenge appears to be in finding efficient means to transition these technologies into "customer" applications. A brief description of this problem is presented along with the Group"s innovative approach to rapidly advance the maturity of technologies via insertion into space missions. Also described are some of the major capabilities of the MEMS Technology Group. A few important examples from among the broad classes of technologies being developed are discussed, these include the "Spider Web Bolometer", High-Performance Miniature Gyroscopes, an Electron Luminescence X-ray Spectrometer, a MEMS-based "Knudsen" Thermal Transpiration pump, MEMS Inchworm Actuators, and Nanowire-based Biological/Chemical Sensors.

Specificity Switching Pathways in Thermal and Mass Evaporation of Multicomponent Hydrocarbon Droplets: A Mesoscopic Observation.

PubMed

Nasiri, Rasoul; Luo, Kai H

2017-07-10

For well over one century, the Hertz-Knudsen equation has established the relationship between thermal - mass transfer coefficients through a liquid - vapour interface and evaporation rate. These coefficients, however, have been often separately estimated for one-component equilibrium systems and their simultaneous influences on evaporation rate of fuel droplets in multicomponent systems have yet to be investigated at the atomic level. Here we first apply atomistic simulation techniques and quantum/statistical mechanics methods to understand how thermal and mass evaporation effects are controlled kinetically/thermodynamically. We then present a new development of a hybrid method of quantum transition state theory/improved kinetic gas theory, for multicomponent hydrocarbon systems to investigate how concerted-distinct conformational changes of hydrocarbons at the interface affect the evaporation rate. The results of this work provide an important physical concept in fundamental understanding of atomistic pathways in topological interface transitions of chain molecules, resolving an open problem in kinetics of fuel droplets evaporation.

Analysis for Heat Transfer in a High Current-Passing Carbon Nanosphere Using Nontraditional Thermal Transport Model.

PubMed

Hol C Y; Chen, B C; Tsai, Y H; Ma, C; Wen, M Y

2015-11-01

This paper investigates the thermal transport in hollow microscale and nanoscale spheres subject to electrical heat source using nontraditional thermal transport model. Working as supercapacitor electrodes, carbon hollow micrometer- and nanometer-sized spheres needs excellent heat transfer characteristics to maintain high specific capacitance, long cycle life, and high power density. In the nanoscale regime, the prediction of heat transfer from the traditional heat conduction equation based on Fourier's law deviates from the measured data. Consequently, the electrical heat source-induced heat transfer characteristics in hollow micrometer- and nanometer-sized spheres are studied using nontraditional thermal transport model. The effects of parameters on heat transfer in the hollow micrometer- and nanometer-sized spheres are discussed in this study. The results reveal that the heat transferred into the spherical interior, temperature and heat flux in the hollow sphere decrease with the increasing Knudsen number when the radius of sphere is comparable to the mean free path of heat carriers.

Component Activity Measurements in the Ti-Al-O System by Knudsen Cell Mass Spectrometry

NASA Technical Reports Server (NTRS)

Copland, Evan; Jacobson, Nathan S.

2003-01-01

Titanium-aluminides (containing (alpha)2-Ti3Al and gamma-TiAl intermetallic phases) have received continued research focus due to their potential as low-density materials for structural applications at intermediate temperatures. However their application above about 850C is hindered by poor oxidation resistance, characterized by the formation of a non-protective TiO2+Al2O3 scale and an oxygen-enriched subsurface zone. Consistent with this are measured titanium and aluminum activities in "oxygen-free" titanium-aluminides, which indicate Al2O3 is only stable for aluminum concentrations greater then 54 atom percent at 1373 K. However, the inability to form a protective Al2O3 scale is in apparent conflict with phase diagram studies, as experimental isothermal sections of the Ti-Al-O system show gamma-TiAl + alpha2-Ti3Al structures are in equilibrium only with Al2O3. The apparent resolution to this conflict lies in the inclusion of oxygen effects in the thermodynamic measurements

Vaporization of liquid Pb-Li eutectic alloy from 1000K to 1200K - A high temperature mass spectrometric study

NASA Astrophysics Data System (ADS)

Jain, U.; Mukherjee, A.; Dey, G. K.

2017-09-01

Liquid lead-lithium eutectic will be used as a coolant in fusion reactor blanket loop. Vapor pressure of the eutectic is an important parameter to accurately predict its in-loop behavior. Past measurements of vapor pressure of the eutectic relied on indirect methods. In this paper, we report for the first time the in-situ vaporization behavior of the liquid alloy between 1042 and 1176 K by Knudsen effusion mass spectrometry (KEMS). It was seen that the vaporization occurred by independent evaporation of lead and lithium. No complex intermetallic vapor was seen in the mass spectra. The partial pressures and enthalpy of vaporization of Pb and Li were evaluated directly from the measured ion intensities formed from the equilibrium vapor over the alloy. The activity of Li over a temperature range of 1042-1176 K was found to be 4.8 × 10-5 to that of pure Li, indicating its very low activity in the alloy.

Determination of the Accomodation Coefficient Using Vapor/Gas Bubble Dynamics in an Acoustic Field

NASA Technical Reports Server (NTRS)

Gumerov, Nail A.

1999-01-01

Non-equilibrium liquid/vapor phase transformations can occur in superheated or subcooled liquids in fast processes such as in evaporation in a vacuum, in processing of molten metals, and in vapor explosions. The rate at which such a phase transformation occurs, Xi, can be described by the Hertz-Knudsen-Langmuir formula. More than one century of the history of the accommodation coefficient measurements shows many problems with its determination. This coefficient depends on the temperature, is sensitive to the conditions at the interface, and is influenced by small amounts of impurities. Even recent measurements of the accommodation coefficient for water (Hagen et al, 1989) showed a huge variation in Beta from 1 for 1 micron droplets to 0.006 for 15 micron droplets. Moreover, existing measurement techniques for the accommodation coefficient are complex and expensive. Thus development of a relatively inexpensive and reliable technique for measurement of the accommodation coefficient for a wide range of substances and temperatures is of great practical importance.

Vaporization of irradiated droplets

NASA Astrophysics Data System (ADS)

Armstrong, R. L.; O'Rourke, P. J.; Zardecki, A.

1986-11-01

The vaporization of a spherically symmetric liquid droplet subject to a high-intensity laser flux is investigated on the basis of a hydrodynamic description of the system composed of the vapor and ambient gas. In the limit of the convective vaporization, the boundary conditions at the fluid-gas interface are formulated by using the notion of a Knudsen layer in which translational equilibrium is established. This leads to approximate jump conditions at the interface. For homogeneous energy deposition, the hydrodynamic equations are solved numerically with the aid of the CON1D computer code (``CON1D: A computer program for calculating spherically symmetric droplet combustion,'' Los Alamos National Laboratory Report No. LA-10269-MS, December, 1984), based on the implict continuous-fluid Eulerian (ICE) [J. Comput. Phys. 8, 197 (1971)] and arbitrary Lagrangian-Eulerian (ALE) [J. Comput. Phys. 14, 1227 (1974)] numerical mehtods. The solutions exhibit the existence of two shock waves propagating in opposite directions with respect to the contact discontinuity surface that separates the ambient gas and vapor.

Design and fabrication of prototype 6×6 cm 2 microchannel plate photodetector with bialkali photocathode for fast timing applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Junqi; Byrum, Karen; Demarteau, Marcel

Planar microchannel plate-based photodetector with bialkali photocathode is capable of fast and accurate time and position resolutions. A new 6 cm x 6 cm photodetector production facility was designed and built at Argonne National Laboratory. Small form-factor MCP-based photodetectors completely constructed of glass were designed and prototypes were successfully fabricated. Knudsen effusion cells were incorporated in the photocathode growth chamber to achieve uniform and high quantum efficiency hotocathodes. The thin film uniformity distribution was simulated and measured for an antimony film deposition, showing uniformity of better than 10%. Several prototype devices with bialkali photocathodes have been fabricated with the describedmore » system and their characteristics were evaluated in the large signal (multi-PE) limit. A typical prototype device exhibits time-of-flight resolution of ~ 27 psec and differential time resolution of ~ 9 psec, corresponding to spatial resolution of ~ 0.65 mm.« less

Studies and comparison of currently utilized models for ablation in Electrothermal-chemical guns

NASA Astrophysics Data System (ADS)

Jia, Shenli; Li, Rui; Li, Xingwen

2009-10-01

Wall ablation is a key process taking place in the capillary plasma generator in Electrothermal-Chemical (ETC) guns, whose characteristic directly decides the generator's performance. In the present article, this ablation process is theoretically studied. Currently widely used mathematical models designed to describe such process are analyzed and compared, including a recently developed kinetic model which takes into account the unsteady state in plasma-wall transition region by dividing it into two sub-layers, a Knudsen layer and a collision dominated non-equilibrium Hydrodynamic layer, a model based on Langmuir Law, as well as a simplified model widely used in arc-wall interaction process in circuit breakers, which assumes a proportional factor and an ablation enthalpy obtained empirically. Bulk plasma state and parameters are assumed to be consistent while analyzing and comparing each model, in order to take into consideration only the difference caused by model itself. Finally ablation rate is calculated in each method respectively and differences are discussed.

Thermal diffusion of radon in porous media.

PubMed

Minkin, L

2003-01-01

Based on the non-intersection model of cylindrical capillaries, the mean radius of the pores of some soils and building materials are estimated. In size, the above-mentioned radii are usually of the order of the free path of gas molecules at atmospheric pressure. A review of pore size distribution data also reveals that a large fraction of concrete pores belong to Knudsen's region. This fact indicates that the thermal gradient in these media must cause gas (radon) transport. The interpretation of the experimental data concerning the rate of emanation of 222Rn from a concrete-capped source subjected to a sudden increase in temperature is given, based on irreversible thermodynamics theory. The calculations given here for radon flux, caused by concentration and thermal gradients, are in satisfactory agreement with the experimental data. It is shown that thermodiffusion can significantly contribute to radon flux in concrete. The need to include the thermodiffusion radon flux in the radon entry model is discussed.

Habitat Suitability Index Models: Juvenile Atlantic Croaker

USGS Publications Warehouse

Diaz, Robert J.; Onuf, Christopher P.

1982-01-01

INTRODUCTION The Atlantic croaker is an important commercial and recreational species. In the 1940's, the foodfish catch of Atlantic croakers was concentrated in Chesapeake Bay; in the 1950's and early 1970's, the catch was concentrated in the Gulf of Mexico; and in the late 1970's, the catch was concentrated in the South Atlantic States (Wilk 1981). Industrial and recreational catches of Atlantic croakers have been concentrated in the Gulf of Mexico, where the Atlantic croaker is the most important species of bottomfish for industrial uses (Knudsen and Herke 1978), and has ranked first, second, or third in number caught by recreational anglers, depending on survey year (Nakamura 1981). Today, Virginia or Delaware is considered to be the northern extent of the species. During climatically warmer periods, such as the 1930's and 1940's, the croaker extended its range north at least to New York, where it was commercially fished. The southern extent of its range is Argentina.

Exact harmonic solutions to Guyer-Krumhansl-type equation and application to heat transport in thin films

NASA Astrophysics Data System (ADS)

Zhukovsky, K.; Oskolkov, D.

2018-03-01

A system of hyperbolic-type inhomogeneous differential equations (DE) is considered for non-Fourier heat transfer in thin films. Exact harmonic solutions to Guyer-Krumhansl-type heat equation and to the system of inhomogeneous DE are obtained in Cauchy- and Dirichlet-type conditions. The contribution of the ballistic-type heat transport, of the Cattaneo heat waves and of the Fourier heat diffusion is discussed and compared with each other in various conditions. The application of the study to the ballistic heat transport in thin films is performed. Rapid evolution of the ballistic quasi-temperature component in low-dimensional systems is elucidated and compared with slow evolution of its diffusive counterpart. The effect of the ballistic quasi-temperature component on the evolution of the complete quasi-temperature is explored. In this context, the influence of the Knudsen number and of Cauchy- and Dirichlet-type conditions on the evolution of the temperature distribution is explored. The comparative analysis of the obtained solutions is performed.

Evaporation Study of an Ionic Liquid with a Double-Charged Cation.

PubMed

Chilingarov, Norbert S; Zhirov, Maksim S; Shmykova, Anna M; Martynova, Ekaterina A; Glukhov, Lev M; Chernikova, Elena A; Kustov, Leonid M; Markov, Vitaliy Yu; Ioutsi, Vitaliy A; Sidorov, Lev N

2018-05-07

The evaporation of a dicationic ionic liquid, 1,3-bis(3-methylimidazolium-1-yl)propane bis(trifluoromethanesulfonyl)amide ([C 3 (MIm) 2 2+ ][Tf 2 N - ] 2 ), was studied by Knudsen effusion mass spectrometry. Its evaporation is accompanied by a partial thermal decomposition producing monocationic ionic liquids, 1,3-dimethylimidazolium and 1-(2-propenyl)-3-methylimidazolium bis(trifluoromethanesulfonyl)amides, as volatile products. This decomposition does not affect the vaporization characteristics of [C 3 (MIm) 2 2+ ][Tf 2 N - ] 2 , which were established to be as follows. The vaporization enthalpy (550 K) is equal to (155.5 ± 3.2) kJ·mol -1 ; the saturated vapor pressure is described by the equation ln( p/Pa) = -(18699 ± 381)/( T/K) + (30.21 ± 0.82) in the range of 508-583 K. 1,3-Bis(3-methylimidazolium-1-yl)propane bis(trifluoromethanesulfonyl)amide is the first dicationic ionic liquid, the vaporization characteristics of which were determined with an acceptable accuracy.

Reinvestigation of the elementary chemical kinetics of the reaction C2H5(•) + HBr (HI) → C2H6 + Br(•) (I(•)) in the range 293-623 K and its implication on the thermochemical parameters of C2H5(•) free radical.

PubMed

Leplat, N; Wokaun, A; Rossi, M J

2013-11-14

A reinvestigation of the absolute rate constants of the metathesis reactions C2H5• + HBr → C2H6 + Br• (R1) and C2H5• + HI → C2H6 + I• (R2) has been performed and led to the following Arrhenius expressions: k1 = 3.69(±0.95) × 10–11 exp(−10.62(±0.66)/RT), k2 = 1.20(±0.38) × 10–11 exp(−7.12(±1.059)/RT) in the temperature range 293–623 K (A/cm3 molecule–1 s–1, Ea/kJ mol–1). The study has been performed using a Knudsen reactor coupled to single-photon (VUV) photoionization mass spectrometer (SPIMS). Hydrocarbon free radicals have been generated externally before admission into the Knudsen reactor according to two different chemical schemes, enabling the generation of thermalized C2H5• free radicals. A minor correction to k1 and k2 for the wall loss of C2H5• (kw) has been applied throughout the temperature range. The obtained results are consistent regarding both the disappearance of C2H5• and the formation of closed shell products (n-C4H10, C2H4, C2H6), indicating that the chemical mechanism is largely understood and complete. Thermochemical parameters for C2H5• free radical resulting from the present kinetic measurements are discussed and point toward a slightly lower value for the standard heat of formation ΔfH298°(C2H5•) compared to some presently recommended values. On the basis of the present results and suitable data on the reverse reaction taken from the literature, we recommend ΔfH298°(C2H5•) = 117.3 ± 3.1 kJ/mol resulting from an average of “third law” evaluations using S298°(C2H5•) = 242.9 ± 4.6 J/K mol. The present work yields a standard heat of formation in satisfactory agreement with the results obtained by W. Tsang (ΔfH298°(C2H5•) = 119 ± 2 kJ/mol) despite using two very different experimental techniques.

Surging glaciers in Iceland - research status and future challenges

NASA Astrophysics Data System (ADS)

Ingolfsson, Olafur

2013-04-01

Twenty six Icelandic outlet glaciers, ranging from 0.5-1.500 km2, are known to surge, with terminal advances ranging from of few tens of meters to about 10 km. The geomorphic signatures of surges vary, from large-scale folded and thrusted end moraine systems, extensive dead-ice fields and drumlinized forefields to drift sheets where fast ice-flow indicators are largely missing. Case studies from the forefields of Brúarjökull, Eyjabakkajökull and Múlajökull surging glaciers will be presented. At Brúarjökull, extremely rapid ice flow during surge was sustained by overpressurized water causing decoupling beneath a thick sediment sequence that was coupled to the glacier. The ice-marginal position of the 1890 surge is marked by a sedimentary wedge formed within five days and a large moraine ridge that formed in about one day ("instantaneous end-moraine"). Three different qualitative and conceptual models are required to explain the genesis of the Eyjabakkajökull moraines: a narrow, single-crested moraine ridge at the distal end of a marginal sediment wedge formed in response to decoupling of the subglacial sediment from the bedrock and associated downglacier sediment transport; large lobate end moraine ridges with multiple, closely spaced, asymmetric crests formed by proglacial piggy-back thrusting; moraine ridges with different morphologies may reflect different members of an end moraine continuum. A parallel study highlighting the surge history of Eyjabakkajökull over the last 4400 years suggests climate control on surge frequencies. The Múlajökull studies concern an active drumlin field (>100 drumlins) that is being exposed as the glacier retreats. The drumlins form through repeated surges, where each surge causes deposition of till bed onto the drumlin while similtaneously eroding the sides. Finally, a new landsystem model for surging North Iceland cirque glaciers will be introduced. References Benediktsson,I. Ö., Schomacker, A., Lokrantz, H. & Ingólfsson, Ó. 2010: The 1890 surge end moraine at Eyjabakkajökull, Iceland: a re-assessment of a classic glaciotectonic locality. Quaternary Science Reviews 29, 484-506. Benediktsson, I.Ö., Ingólfsson, Ó., Schomacker, A. & Kjær, K.H. 2009: Formation of sub-marginal and proglacial end moraines: implications of ice-flow mechanism during the 1963-64 surge of Brúarjökull, Iceland. Boreas 38. 440-457. Benediktsson, Í.Ö., Möller, P., Ingólfsson, Ó., van der Meer, J.J.M., Kjær, K. & Krüger, J. 2008: Instantaneous end moraine and sediment wedge formation during the 1890 glacier surge of Brúarjökull, Iceland. Quaternary Science Reviews 27, 209-234. Brynjólfsson, S., Ingólfsson, Ó. & Schomacker, A. 2012. Surge fingerprinting of cirque glaciers at the Tröllaskagi peninsula, Iceland. Jökull 62, 153-168. Johnson, M.D., Schomacker, A.,Benediktsson, I.O., Geiger, A.D., Ferguson, A. & Ingólfsson, Ó. 2010. Active drumlin field revealed at the margin of Múlajökull, Iceland: A surge-type glacier. Geology 38, 943-946. Kjær, K.H., Larsen, E., van der Meer, J., Ingólfsson, Ó., Krüger, J., Benediktsson, I.Ö., Knudsen, C. & Schumacher, A. 2006: Subglacial decoupling at the sediment/bedrock interface: a new mechanism for rapid flowing ice. Quaternary Science Reviews, 25: 2704-2712. Striberger, J., Björck, S., Benediktsson, I.Ö., Snowball. I., Uvo, C., Ingólfsson, Ó. & Kjær, K. 2011. Climatic control of the surge periodicity of an Icelandic outlet glacier. Journal of Quaternary Science 26, 561-565.

A nonmolecular derivation of Maxwell's thermal-creep boundary condition in gases and liquids via application of the LeChatelier-Braun principle to Maxwell's thermal stress

NASA Astrophysics Data System (ADS)

Brenner, Howard

2009-05-01

According to the LeChatelier-Braun principle, when a closed quiescent system initially in an equilibrium or unstressed steady state is subjected to an externally imposed "stress" it responds in a manner tending to alleviate that stress. Use of this entropically based qualitative rule, in combination with the notion of Maxwell thermal stresses existing in nonisothermal gases and liquids, enables one to (i) derive Maxwell's thermal-creep boundary condition prevailing at the boundary between a solid and a fluid (either gas or liquid) and (ii) rationalize the phenomenon of thermophoresis in liquids, for which, in contrast with the case of gases, an elementary explanation is currently lacking. These two objectives are achieved by quantitatively interpreting the heretofore qualitative LeChatelier-Braun notion of stress in the present context as being the fluid's stress tensor, the latter including Maxwell's thermal stress. In effect, thermophoretic particle motion is interpreted as the manifestation of the fluid's attempt to expel the particle from its interior so as to alleviate the thermal stress that would otherwise ensue were the particle to remain at rest (thus obeying the traditional no slip rather than thermal-creep boundary condition) following its introduction into the previously stress-free quiescent fluid. With Kn the Knudsen number in the case of rarefied gases, Maxwell's thermal stress constitutes a noncontinuum phenomenon of O(Kn2), whereas his thermal-creep phenomenon constitutes a continuum phenomenon of O(Kn). That these two phenomena can, nevertheless, be proved to be synonymous (in the sense, so to speak, of being two sides of the same coin), as is done in the present paper, supports the "ghost effect" findings of Sone [Y. Sone, "Flows induced by temperature fields in a rarefied gas and their ghost effect on the behavior of a gas in the continuum limit," Annu. Rev. Fluid Mech 32, 779 (2000)], which, philosophically, imply the artificiality of the distinction currently existing between continuum- and noncontinuum-level phenomena.

Ozone as a Sink for Atmospheric Carbon Aerosols

NASA Astrophysics Data System (ADS)

Stephens, Sherry Lynn

Critical information necessary for examining the chemical removal of smoke in the atmosphere by the reaction with ozone has been obtained. The kinetics, products and temperature dependence of the reaction of ozone with carbonaceous material were determined. This information can be included in models examining the fate of ozone and smoke in the atmosphere. In the first study, the rate of ozone loss was followed in its reaction with carbon black at room temperature. In addition to the ozone loss, the gaseous products, CO, CO _2 and O_2 were quantified with a phase locking mass spectrometer attached to a two-chamber Knudsen cell reactor. An oxygen molecule was detected for every ozone lost. It was observed that the initial loss rate was much greater than that seen after extended exposure to ozone. Oxygen atoms were desorbed 30% of the time as CO or CO_2 and those left behind on the surface were responsible for the decrease in rate. Heating the surface following this exposure would liberate CO and CO_2 and restore the initial reactivity. In the second study, the reaction of ozone with different types of soot was examined by following the decrease of optical depth of soot deposited on a quartz slide as a result of flowing a known concentration of ozone over the slide at temperatures from 21^circ to 175^circC. The reaction kinetics were very similar for the four types of soot used in this study. Treating all types together the activation energy and the order with respect to ozone were 10.9 (+/-1.0) kcal mol ^{-1} and 0.89 (+/- 0.14), respectively. The lifetime of soot under atmospheric conditions was calculated to be on the order of years to decades. The reaction of ozone with acetylene smoke suspended in air was the final method of examining the reaction. The change of acetylene smoke size distribution and ozone concentration was monitored while controlling the temperature. Irreproducibility caused this study to be unsuccessful. This was believed to be due to contamination leaking into the teflon bags in which the experiments were conducted. Several attempts to alleviate this problem were unsuccessful.

Wall ablation of heated compound-materials into non-equilibrium discharge plasmas

NASA Astrophysics Data System (ADS)

Wang, Weizong; Kong, Linghan; Geng, Jinyue; Wei, Fuzhi; Xia, Guangqing

2017-02-01

The discharge properties of the plasma bulk flow near the surface of heated compound-materials strongly affects the kinetic layer parameters modeled and manifested in the Knudsen layer. This paper extends the widely used two-layer kinetic ablation model to the ablation controlled non-equilibrium discharge due to the fact that the local thermodynamic equilibrium (LTE) approximation is often violated as a result of the interaction between the plasma and solid walls. Modifications to the governing set of equations, to account for this effect, are derived and presented by assuming that the temperature of the electrons deviates from that of the heavy particles. The ablation characteristics of one typical material, polytetrafluoroethylene (PTFE) are calculated with this improved model. The internal degrees of freedom as well as the average particle mass and specific heat ratio of the polyatomic vapor, which strongly depends on the temperature, pressure and plasma non-equilibrium degree and plays a crucial role in the accurate determination of the ablation behavior by this model, are also taken into account. Our assessment showed the significance of including such modifications related to the non-equilibrium effect in the study of vaporization of heated compound materials in ablation controlled arcs. Additionally, a two-temperature magneto-hydrodynamic (MHD) model accounting for the thermal non-equilibrium occurring near the wall surface is developed and applied into an ablation-dominated discharge for an electro-thermal chemical launch device. Special attention is paid to the interaction between the non-equilibrium plasma and the solid propellant surface. Both the mass exchange process caused by the wall ablation and plasma species deposition as well as the associated momentum and energy exchange processes are taken into account. A detailed comparison of the results of the non-equilibrium model with those of an equilibrium model is presented. The non-equilibrium results show a non-equilibrium region near the plasma-wall interaction region and this indicates the need for the consideration of the influence of the possible departure from LTE in the plasma bulk on the determination of ablation rate.

The surface chemical reactivity of particles and its impact on human health

NASA Astrophysics Data System (ADS)

Setyan, A.; Sauvain, J. J.; Riediker, M.; Guillemin, M.; Rossi, M. J.

2017-12-01

The chemical composition of the particle-air interface is the gateway to chemical reactions of gases with condensed phase particles. It is of prime importance to understand the reactivity of particles and their interaction with surrounding gases, biological membranes, and solid supports. We used a Knudsen flow reactor to quantify functional groups on the surface of a few selected particle types. This technique is based on a heterogeneous titration reaction between a probe gas and a specific functional group on the particle surface. Six probe gases have been selected for the identification and quantification of important functional groups: N(CH3)3 for the titration of acidic sites, NH2OH for the detection of carbonyl functions (aldehydes and ketones) and/or oxidized sites owing to its strong reducing properties, CF3COOH and HCl for basic sites of different strength, O3 and NO2 for oxidizable groups. We also studied the kinetics of the reactions between particles and probe gases (uptake coefficient γ0). We tested the surface chemical composition and oxidation states of laboratory-generated aerosols (3 amorphous carbons, 2 flame soots, 2 Diesel particles, 2 secondary organic aerosols [SOA], 4 multiwall carbon nanotubes [MWCNT], 3 TiO2, and 2 metal salts) and of aerosols sampled in several bus depots. The sampling of particles in the bus depots was accompanied by the collection of urine samples of mechanics working full-time in these bus depots, and the quantification of 8-hydroxy-2'-deoxyguanosine, a biomarker of oxidative stress. The increase in oxidative stress biomarker levels over a working day was correlated (p<0.05) with the number of olefinic and/or PAH sites on the surface of particles sampled at the bus depots, obtained from O3 uptakes, as well as with the initial uptake coefficient (γ0) of five probe gases used in the field. This correlation with γ0 suggests the idea of competing pathways occurring at the interface of the aerosol particles between the generation of reactive oxygen species (ROS) responsible for oxidative stress and cellular antioxidants.

Chemical composition and heterogeneous reactivity of soot generated in the combustion of diesel and GTL (Gas-to-Liquid) fuels and amorphous carbon Printex U with NO2 and CF3COOH gases

NASA Astrophysics Data System (ADS)

Tapia, A.; Salgado, S.; Martín, P.; Villanueva, F.; García-Contreras, R.; Cabañas, B.

2018-03-01

The heterogeneous reactions of nitrogen dioxide (NO2) and trifluoroacetic acid (CF3COOH) with soot produced by diesel and GTL (gas-to-liquid) fuels were investigated using a Knudsen flow reactor with mass spectrometry as a detection system for gas phase species. Soot was generated with a 4 cylinder diesel engine working under steady-state like urban operation mode. Heterogeneous reaction of the mentioned gases with a commercial carbon, Printex U, used as reference, was also analyzed. The initial and the steady-state uptake coefficients, γ0 and γss, respectively, were measured indicating that GTL soot reacts faster than diesel soot and Printex U carbon for NO2 gas reactant. According to the number of reacted molecules on the surface, Printex U soot presents more reducing sites than diesel and GTL soot. Initial uptake coefficients for GTL and diesel soot for the reaction with CF3COOH gas reactant are very similar and no clear conclusions can be obtained related to the initial reactivity. The number of reacted molecules calculated for CF3COOH reactions shows values two orders of magnitude higher than the corresponding to NO2 reactions, indicating a greater presence of basic functionalities in the soot surfaces. More information of the surface composition has been obtained using Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) before and after the reaction of soot samples with gas reactants. As conclusion, the interface of diesel and GTL soot before reaction mainly consists of polycyclic aromatic hydrocarbons (PAHs), nitro-compounds as well as ether functionalities. After reaction with gas reactant, it was observed that PAHs and nitro-compounds remain on the soot surface and new spectral bands such as carbonyl groups (carboxylic acids, aldehydes, esters and ketones) are observed. Physical properties of soot from both fuels studied such as BET surface isotherm and SEM analysis were also developed and related to the observed reactivity.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goldfarb, J.L.; Suuberg, E.M.

Polycyclic aromatic hydrocarbons (PAHs) and their oxygenated derivatives (OPAHs) are ubiquitous environmental pollutants resulting from the incomplete combustion of coal and fossil fuels. Their vapor pressures are key thermodynamic data essential for modeling fate and transport within the environment. The present study involved nine PAHs containing oxygen heteroatoms, including aldehyde, carboxyl, and nitro groups, specifically 2-nitrofluorene, 9-fluorenecarboxylic acid, 2-fluorenecarboxaldehyde, 2-anthracenecarboxylic acid, 9-anthracenecarboxylic acid, 9-anthraldehyde, 1-nitropyrene, 1-pyrenecarboxaldehyde, and 1-bromo-2-naphthoic acid. The vapor pressures of these compounds, with molecular weights ranging from 194 to 251 g/mol, were measured using the isothermal Knudsen effusion technique in the temperature range of 329 to 421more » K. The corresponding enthalpies of sublimation, calculated via the Clausius-Clapeyron equation, are compared to parent, nonoxygenated PAH compound data to determine the effect of the addition of these oxygen-containing heteroatoms. As expected, the addition of -CHO, -COOH, and -NO{sub 2} groups onto these PAHs increases the enthalpy of sublimation and decreases the vapor pressure as compared to the parent PAH; the position of substitution also plays a significant role in determining the vapor pressure of these OPAHs.« less

Mass Spectrometric Studies of Oxides

NASA Technical Reports Server (NTRS)

Jacobson, Nathan S.

2012-01-01

Current studies at NASA Glenn on oxide thermodynamics are discussed. Previous studies on the vaporization of B2O3 in reducing atmospheres led to inconsistent studies when B was used as a reductant. It is shown that liquid B2O3 does not wet B and a clear phase separation was noted in the Knudsen cell. This problem was solved by using FeB and Fe2B to supply a different and constant activity of B. The thermodynamic data thus derived are compared to quantum chemical composite calculations. A major problem in high temperature mass spectrometry is the determination of accurate ionization cross sections, particularly for molecules. The method of Deutsch and Mark shows promise and some sample calculations are discussed. Finally current studies on the thermodynamics of rare earth silicates are discussed. Here the problems are obtaining a measurable signal from SiO2 vaporization and non-equilibrium vaporization. The use of a Ta reducing agent provides a stronger signal, which is related to silica activity. The Whitman-Motzfeld relation adapted to KEMS measurements is applied to obtain equilibrium pressures.

Thermodynamics and Kinetics of Silicate Vaporization

NASA Technical Reports Server (NTRS)

Jacobson, Nathan S.; Costa, Gustavo C. C.

2015-01-01

Silicates are a common class of materials that are often exposed to high temperatures. The behavior of these materials needs to be understood for applications as high temperature coatings in material science as well as the constituents of lava for geological considerations. The vaporization behavior of these materials is an important aspect of their high temperature behavior and it also provides fundamental thermodynamic data. The application of Knudsen effusion mass spectrometry (KEMS) to silicates is discussed. There are several special considerations for silicates. The first is selection of an appropriate cell material, which is either nearly inert or has well-understood interactions with the silicate. The second consideration is proper measurement of the low vapor pressures. This can be circumvented by using a reducing agent to boost the vapor pressure without changing the solid composition or by working at very high temperatures. The third consideration deals with kinetic barriers to vaporization. The measurement of these barriers, as encompassed in a vaporization coefficient, is discussed. Current measured data of rare earth silicates for high temperature coating applications are discussed. In addition, data on magnesium-iron-silicates (olivine) are presented and discussed.

Uptake of Organic Vapors by Sulfate Aerosols: Physical and Chemical Processes

NASA Technical Reports Server (NTRS)

Michelsen, R. R.; Ashbourn, S. F. M.; Iraci, L.T.; Staton, S. J. R.

2003-01-01

While it is known that upper tropospheric sulfate particles contain a significant amount of organic matter, both the source of the organic fraction and its form in solution are unknown. These studies explore how the chemical characteristics of the molecules and surfaces in question affect heterogeneous interactions. The solubilities of acetaldehyde [CH3CHO] and ethanol [CH3CH20H] in cold, aqueous sulfuric acid solutions have been measured by Knudsen cell studies. Henry's law solubility coefficients range from 10(exp 2) to 10(exp 5) M/atm for acetaldehyde, and from 10(exp 4) to 10(exp 9) M/atm for ethanol under upper tropospheric conditions (210-240 K, 40-80 wt. % H2S04). The multiple solvation pathways (protonation, enolization, etc.) available to these compounds in acidic aqueous environments will be discussed. Preliminary results from the interaction of acetaldehyde with solutions of formaldehyde in sulfuric acid will be presented as well. The physical and chemical processes that affect organic uptake by aqueous aerosols will be explored, with the aim of evaluating organic species not yet studied in low temperature aqueous sulfuric acid.

Experimental measurements and modeling of convective heat transfer in the transitional rarefied regime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strongrich, Andrew D.; Alexeenko, Alina A.

We present experimental measurements and numerical simulations of convective heat transfer performance in the transitional rarefied regime for an isolated rectangular beam geometry. Experiments were performed using single crystalline silicon beam elements having width-to-thickness aspect ratios of 8.5 and 17.4. Devices were enclosed in a vacuum chamber and heated resistively using a DC power supply. A range of pressures corresponding to Knudsen numbers between 0.096 and 43.2 in terms of device thickness were swept, adjusting applied power to maintain a constant temperature of 50 K above the ambient temperature. Both parasitic electrical resistance associated with the hardware and radiative exchangemore » with the environment were removed from measured data, allowing purely convective heat flux to be extracted. Numerical simulations were carried out deterministically through solution of the Ellipsoidal Statistical Bhatnagar-Gross-Krook collision model of the Boltzmann equation. Results agree with experimental data, revealing a strong coupling between dissipated heat flux and thermal stresses within the flowfield as well as a nonlinear transition between the free-molecule and continuum regimes.« less

Chemical Stability of the Fiber Coating/Matrix Interface in Silicon-Based Ceramic Matrix Composites

NASA Technical Reports Server (NTRS)

Lee, Kang N.; Jacobson, Nathan S.

1995-01-01

Carbon and boron nitride are used as fiber coatings in silicon-based composites. In order to assess the long-term stability of these materials, reactions of carbon/Si3N4 and BN/SiC were studied at high temperatures with Knudsen effusion, coupon tests, and microstructural examination. In the carbon/Si3N4 system, carbon reacted with Si3N4 to form gaseous N2 and SiC. The formation of SiC limited further reaction by physically separating the carbon and Si3N4. Consequently, the development of high p(N2) at the interface, predicted from thermochemical calculations, did not occur, thus limiting the potential deleterious effects of the reaction on the composite. Strong indications of a reaction between BN and SiC were shown by TEM and SIMS analysis of the BN/SiC interface. In long-term exposures, this reaction can lead to a depletion of a BN coating and/or an unfavorable change of the interfacial properties, limiting the beneficial effects of the coating.

Experimental dissection of oxygen transport resistance in the components of a polymer electrolyte membrane fuel cell

NASA Astrophysics Data System (ADS)

Oh, Hwanyeong; Lee, Yoo il; Lee, Guesang; Min, Kyoungdoug; Yi, Jung S.

2017-03-01

Oxygen transport resistance is a major obstacle for obtaining high performance in a polymer electrolyte membrane fuel cell (PEMFC). To distinguish the major components that inhibit oxygen transport, an experimental method is established to dissect the oxygen transport resistance of the components of the PEMFC, such as the substrate, micro-porous layer (MPL), catalyst layer, and ionomer film. The Knudsen numbers are calculated to determine the types of diffusion mechanisms at each layer by measuring the pore sizes with either mercury porosimetry or BET analysis. At the under-saturated condition where condensation is mostly absent, the molecular diffusion resistance is dissected by changing the type of inert gas, and ionomer film permeation is separated by varying the inlet gas humidity. Moreover, the presence of the MPL and the variability of the substrate thickness allow the oxygen transport resistance at each component of a PEMFC to be dissected. At a low relative humidity of 50% and lower, an ionomer film had the largest resistance, while the contribution of the MPL was largest for the other humidification conditions.

Diffusive-to-ballistic transition of the modulated heat transport in a rarefied air chamber

NASA Astrophysics Data System (ADS)

Gomez-Heredia, C. L.; Macias, J.; Ordonez-Miranda, J.; Ares, O.; Alvarado-Gil, J. J.

2017-01-01

Modulated heat transfer in air subject to pressures from 760 Torr to 10-4 Torr is experimentally studied by means of a thermal-wave resonant cavity placed in a vacuum chamber. This is done through the analysis of the amplitude and phase delay of the photothermal signal as a function of the cavity length and pressure through of the Knudsen's number. The viscous, transitional, and free molecular regimes of heat transport are observed for pressures P>1.5 Torr, 25 mTorr

Improving and assessing vapour pressure estimation methods for organic compounds of atmospheric relevance using a Knudsen Effusion Mass Spectrometer (KEMS)

NASA Astrophysics Data System (ADS)

Booth, A. M.; Topping, D. O.; McFiggans, G. B.; Garforth, A.; Percival, C. J.

2009-12-01

Aerosol particles influence climate directly through the scattering and absorbing radiation and indirectly through their role as cloud condensation nuclei (CCN). Traditionally, models aiming to capture the behaviour of aerosols in the atmosphere have concentrated on the role of inorganic compounds. However, organic components, covering a huge range of chemical and physical properties (Jacobson et.al., 2000), may constitute a significant fraction depending on location (Houghton et.al., 2001). Knowledge of pure component vapour pressures is essential for calculations of gas/particle partitioning. There are many methods of estimating vapour pressures but most of the experimental data collected to date has been for intermediate or high pressure compounds (and often measured at temperatures considerably above ambient) and the proportion of experimental data for low (less than 100Pa) vapour pressure compounds has been very small. Hence the datasets used for developing the estimation methods have reflected this bias in addition to the fact that components studied tend to have one or two functional groups at the most. Thus it is unsurprising that some of the estimation methods can give errors in vapour pressure of several orders of magnitude for multifunctional compounds at ambient temperatures. Knudsen Effusion Mass Spectrometer (KEMS) has been used to measure solid state vapour pressures for multifunctional organic compounds based on dicarboxylic acids (Booth et al 2009). In the atmosphere these compounds are likely to exist in the sub-cooled state so Differential Scanning Calorimetry (DSC) was used to obtain thermochemical data to effect a correction between solid and sub-cooled vapour pressures. The group contribution method of Nanoolal and co-workers (Nanoolal et al., 2008) is one of the best predictive methods in terms of reproducing available low volatility vapour pressure data (barley et al., 2009). The Nanoolal method relies on the use of primary and secondary functional groups and interaction parameters, derived from experimental data, to reliably predict boiling points and vapour pressures. A sensitivity study was undertaken to establish the impact of the new experimentally determined vapour pressures on partitioning models. Jacobson, M.C., et al. Rev Geophys, 38 (2), 267-294, 2000. Houghton et al. Climate Change 2001: The Scientific Basis. Contribution of Working Group 1 to the Third Assessment Report of the IPCC., 881 pp., Cambridge University Press, 2001. Johnson, D. , et al. Atmo. Chem. Phys., Vol. 6, 419-431, 2006 Yu, J. Z., et al. J Atmos Chem. 34, 207-258, 1999 Booth, A.M. et al Atmos. Meas. Tech.,2,355-361, 2009 Nanoolal, Y. et al Fluid Phase Equilibria, 269,117-133., 2008. Barley, M. et al Atmos. Chem. Phys., -,to be submitted.

A hierarchical uniformly high order DG-IMEX scheme for the 1D BGK equation

NASA Astrophysics Data System (ADS)

Xiong, Tao; Qiu, Jing-Mei

2017-05-01

A class of high order nodal discontinuous Galerkin implicit-explicit (DG-IMEX) schemes with asymptotic preserving (AP) property has been developed for the one-dimensional (1D) BGK equation in Xiong et al. (2015) [40], based on a micro-macro reformulation. The schemes are globally stiffly accurate and asymptotically consistent, and as the Knudsen number becomes small or goes to zero, they recover first the compressible Navier-Stokes (CNS) and then the Euler limit. Motivated by the recent work of Filbet and Rey (2015) [27] and the references therein, in this paper, we propose a hierarchical high order AP method, namely kinetic, CNS and Euler solvers are automatically applied in regions where their corresponding models are appropriate. The numerical solvers for different regimes are coupled naturally by interface conditions. To the best of our knowledge, the resulting scheme is the very first hierarchical one being proposed in the literature, that enjoys AP property as well as uniform high order accuracy. Numerical experiments demonstrate the efficiency and effectiveness of the proposed approach. As time evolves, three different regimes are dynamically identified and naturally coupled, leading to significant CPU time savings (more than 80% for some of our test problems).

Formation of gamma'-Ni3Al via the Peritectoid Reaction: gamma plus beta (+Al2O3) equals gamma'(+Al2O3)

NASA Technical Reports Server (NTRS)

Copland, Evan

2008-01-01

The activities of Al and Ni were measured using multi-cell Knudsen effusion-cell mass spectrometry (multi-cell KEMS), over the composition range 8 - 32 at.%Al and temperature range T = 1400 - 1750 K in the Ni-Al-O system. These measurements establish that equilibrium solidification of gamma'-Ni3Al-containing alloys occurs by the eutectic reaction, L (+ Al2O3) = gamma + beta (+ Al2O3), at 1640 plus or minus 1 K and a liquid composition of 24.8 plus or minus 0.2 at.%Al (at an unknown oxygen content). The {gamma + beta + Al2O3} phase field is stable over the temperature range 1633 - 1640 K, and gamma'-Ni3Al forms via the peritectiod, gamma + beta (+ Al2O3) = gamma'(+ Al2O3), at 1633 plus or minus 1 K. This behavior is inconsistent with the current Ni-Al phase diagram and a new diagram is proposed. This new Ni-Al phase diagram explains a number of unusual steady state solidification structures reported previously and provides a much simpler reaction scheme in the vicinity of the gamma'-Ni3Al phase field.

The direct simulation of acoustics on Earth, Mars, and Titan.

PubMed

Hanford, Amanda D; Long, Lyle N

2009-02-01

With the recent success of the Huygens lander on Titan, a moon of Saturn, there has been renewed interest in further exploring the acoustic environments of the other planets in the solar system. The direct simulation Monte Carlo (DSMC) method is used here for modeling sound propagation in the atmospheres of Earth, Mars, and Titan at a variety of altitudes above the surface. DSMC is a particle method that describes gas dynamics through direct physical modeling of particle motions and collisions. The validity of DSMC for the entire range of Knudsen numbers (Kn), where Kn is defined as the mean free path divided by the wavelength, allows for the exploration of sound propagation in planetary environments for all values of Kn. DSMC results at a variety of altitudes on Earth, Mars, and Titan including the details of nonlinearity, absorption, dispersion, and molecular relaxation in gas mixtures are given for a wide range of Kn showing agreement with various continuum theories at low Kn and deviation from continuum theory at high Kn. Despite large computation time and memory requirements, DSMC is the method best suited to study high altitude effects or where continuum theory is not valid.

STM studies of GeSi thin layers epitaxially grown on Si(111)

NASA Astrophysics Data System (ADS)

Motta, N.; Sgarlata, A.; De Crescenzi, M.; Derrien, J.

1996-08-01

Ge/Si alloys were prepared in UHV by solid phase epitaxy on Si(111) substrates. The alloy formation, as a function of the evaporation rate and the Ge layer thickness has been followed in situ by RHEED and scanning tunneling microscopy. The 5 × 5 surface reconstruction appeared after annealing at 450°C Ge layers (up to 10 Å thick), obtained from a low rate Knudsen cell evaporator. In this case a nearly flat and uniform layer of reconstructed alloy was observed. When using an e-gun high rate evaporator we needed to anneal the Ge layer up to 780°C to obtain a 5 × 5 reconstruction. The grown layer was not flat, with many steps and Ge clusters; at high coverages (10 Å and more) large Ge islands appeared. Moreover, we then succeeded in visualizing at atomic resolution the top of some of these Ge islands which displayed a 2 × 1 reconstruction, probably induced from the high compressive strain due to the lattice mismatch with the substrate. We suggest that this unusual behavior could be connected to the high evaporation rate, which helped the direct formation of Ge microcrystals on the Si substrate during the deposition process.

Multiple Scattering in Random Mechanical Systems and Diffusion Approximation

NASA Astrophysics Data System (ADS)

Feres, Renato; Ng, Jasmine; Zhang, Hong-Kun

2013-10-01

This paper is concerned with stochastic processes that model multiple (or iterated) scattering in classical mechanical systems of billiard type, defined below. From a given (deterministic) system of billiard type, a random process with transition probabilities operator P is introduced by assuming that some of the dynamical variables are random with prescribed probability distributions. Of particular interest are systems with weak scattering, which are associated to parametric families of operators P h , depending on a geometric or mechanical parameter h, that approaches the identity as h goes to 0. It is shown that ( P h - I)/ h converges for small h to a second order elliptic differential operator on compactly supported functions and that the Markov chain process associated to P h converges to a diffusion with infinitesimal generator . Both P h and are self-adjoint (densely) defined on the space of square-integrable functions over the (lower) half-space in , where η is a stationary measure. This measure's density is either (post-collision) Maxwell-Boltzmann distribution or Knudsen cosine law, and the random processes with infinitesimal generator respectively correspond to what we call MB diffusion and (generalized) Legendre diffusion. Concrete examples of simple mechanical systems are given and illustrated by numerically simulating the random processes.

Thermal Programmed Desorption of C32 H 66

NASA Astrophysics Data System (ADS)

Cisternas, M.; Del Campo, V.; Cabrera, A. L.; Volkmann, U. G.; Hansen, F. Y.; Taub, H.

2011-03-01

Alkanes are of interest as prototypes for more complex molecules and membranes. In this work we study the desorption kinetics of dotriacontane C32 adsorbed on Si O2 /Si substrate. We combine in our instrument High Resolution Ellipsometry (HRE) and Thermal Programmed Desorption (TPD). C32 monolayers were deposited in high vacuum from a Knudsen cell on the substrate, monitorizing sample thickness in situ with HRE. Film thickness was in the range of up to 100 AA, forming a parallel bilayer and perpendicular C32 layer. The Mass Spectrometer (RGA) of the TPD section was detecting the shift of the desorption peaks at different heating rates applied to the sample. The mass registered with the RGA was AMU 57 for parallel and perpendicular layers, due to the abundance of this mass value in the disintegration process of C32 in the mass spectrometers ionizer. Moreover, the AMU 57 signal does not interfere with other signals coming from residual gases in the vacuum chamber. The desorption energies obtained were ΔEdes = 11,9 kJ/mol for the perpendicular bilayer and ΔEdes = 23 ,5 kJ/mol for the parallel bilayer.

Hydrogen Separation by Natural Zeolite Composite Membranes: Single and Multicomponent Gas Transport.

PubMed

Farjoo, Afrooz; Kuznicki, Steve M; Sadrzadeh, Mohtada

2017-10-06

Single and multicomponent gas permeation tests were used to evaluate the performance of metal-supported clinoptilolite membranes. The efficiency of hydrogen separation from lower hydrocarbons (methane, ethane, and ethylene) was studied within the temperature and pressure ranges of 25-600 °C and 110-160 kPa, respectively. The hydrogen separation factor was found to reduce noticeably in the gas mixture compared with single gas experiments at 25 °C. The difference between the single and multicomponent gas results decreased as the temperature increased to higher than 300 °C, which is when the competitive adsorption-diffusion mechanism was replaced by Knudsen diffusion or activated diffusion mechanisms. To evaluate the effect of gas adsorption, the zeolite surface isotherms of each gas in the mixture were obtained from 25 °C to 600 °C. The results indicated negligible adsorption of individual gases at temperatures higher than 300 °C. Increasing the feed pressure resulted in a higher separation efficiency for the individual gases compared with the multicomponent mixture, due to the governing effect of the adsorptive mechanism. This study provides valuable insight into the application of natural zeolites for the separation of hydrogen from a mixture of hydrocarbons.

Hydrogen Separation by Natural Zeolite Composite Membranes: Single and Multicomponent Gas Transport

PubMed Central

Farjoo, Afrooz; Kuznicki, Steve M.

2017-01-01

Single and multicomponent gas permeation tests were used to evaluate the performance of metal-supported clinoptilolite membranes. The efficiency of hydrogen separation from lower hydrocarbons (methane, ethane, and ethylene) was studied within the temperature and pressure ranges of 25–600 °C and 110–160 kPa, respectively. The hydrogen separation factor was found to reduce noticeably in the gas mixture compared with single gas experiments at 25 °C. The difference between the single and multicomponent gas results decreased as the temperature increased to higher than 300 °C, which is when the competitive adsorption–diffusion mechanism was replaced by Knudsen diffusion or activated diffusion mechanisms. To evaluate the effect of gas adsorption, the zeolite surface isotherms of each gas in the mixture were obtained from 25 °C to 600 °C. The results indicated negligible adsorption of individual gases at temperatures higher than 300 °C. Increasing the feed pressure resulted in a higher separation efficiency for the individual gases compared with the multicomponent mixture, due to the governing effect of the adsorptive mechanism. This study provides valuable insight into the application of natural zeolites for the separation of hydrogen from a mixture of hydrocarbons. PMID:28984833

Dietary whole grain–microbiota interactions: insights into mechanisms for human health.

PubMed

Keim, Nancy L; Martin, Roy J

2014-09-01

This article summarizes the presentations from the “Dietary Whole Grain–Microbiota Interactions: Insights into Mechanisms for Human Health” symposium held at the ASN Scientific Sessions and Annual Meeting at Experimental Biology 2014 in San Diego, CA, on 28 April 2014. The symposium focused on the interactive effects of whole grains and nondigestible carbohydrates with the gut microbiota with the goal of identifying the benefits of whole grains that are mediated through their effects on the gut microbiome. This theme was addressed by 4 speakers, each with their own unique perspective. Dr. Michael Lefevre reviewed the impact of whole grains on markers of subclinical inflammation, drawing examples from epidemiologic literature, clinical trials, and animal experiments. Dr. Knud Erik Bach Knudsen discussed data from studies he conducted to identify specific carbohydrates that enhance colonic butyrate production. Dr. Michael Keenan presented a chronology of his research program devoted to understanding the mechanisms underlying the metabolic effects of resistant starch, particularly high-amylose maize. Dr. Jens Walter emphasized that whole grains can impact gut microbial ecology by increasing microbial diversity and inducing compositional alterations, some of which are considered to have beneficial effects on the host.

Thermochemistry of Silicates

NASA Technical Reports Server (NTRS)

Costa, Gustavo; Jacobson, Nathan

2015-01-01

The thermodynamic properties of vapor and condensed phases of silicates are crucial in many fields of science. These quantities address fundamental questions on the formation, stability, transformation, and physical properties of silicate minerals and silicate coating compositions. Here the thermodynamic activities of silica and other species in solid solution have been measured by the analysis of the corresponding high temperature vapors using Knudsen Effusion Mass Spectrometry (KEMS). In first set of experiments KEMS has been used to examine the volatility sequence of species (Fe, SiO, Mg, O2 and O) present in the vapor phase during heating of fosterite-rich olivine (Fo93Fa7) up to 2400 C and to measure the Fe, SiO and Mg activities in its solid solution. The data of fosterite-rich olivine are essential for thermochemical equilibrium models to predict the atmospheric and surface composition of hot, rocky exoplanets (Lava Planets). In the second set of experiments the measured thermodynamic activities of the silica in Y2O3-SiO2 and Yb2O3-SiO2 systems are used to assess their reactivity and degradation recession as environmental barrier coatings (EBCs) in combustion environments (e.g. non-moveable parts of gas turbine engine).

Experimental and molecular dynamics simulation study of the sublimation energetics of cyclopentadienyltricarbonylmanganese (Cymantrene).

PubMed

Picciochi, Ricardo; Canongia Lopes, José N; Diogo, Hermínio P; Minas da Piedade, Manuel E

2008-10-16

The standard molar enthalpy of sublimation of monoclinic cyclopentadienyltricarbonylmanganese, Mn(eta (5)-C 5H 5)(CO) 3, at 298.15 K, was determined as Delta sub H m (o)[Mn(eta (5)-C 5H 5)(CO) 3] = 75.97 +/- 0.37 kJ x mol (-1) from Knudsen effusion and Calvet-drop microcalorimetry measurements, thus considerably improving the very large inaccuracy (>10 kJ x mol (-1)) of the published data. The obtained value was used to assess the extension of the OPLS-based all-atom force field we previously developed for iron metallocenes to manganese organometallic compounds. The modified force field was able to reproduce the volumetric properties (density and unit-cell volume) of crystalline Mn(eta (5)-C 5H 5)(CO) 3 with a deviation of 0.6% and the experimentally determined enthalpy of sublimation with an accuracy of 1 kJ x mol (-1). The interaction (epsilon) and atomic-diameter (sigma) parameters of the Lennard-Jones (12-6) potential function used to calculate dispersion contributions within the framework of the force field were found to be transferable from iron to manganese.

A novel approach for direct estimation of fresh groundwater discharge to an estuary

USGS Publications Warehouse

Ganju, Neil K.

2011-01-01

Coastal groundwater discharge is an important source of freshwater and nutrients to coastal and estuarine systems. Directly quantifying the spatially integrated discharge of fresh groundwater over a coastline is difficult due to spatial variability and limited observational methods. In this study, I applied a novel approach to estimate net freshwater discharge from a groundwater-fed tidal creek over a spring-neap cycle, with high temporal resolution. Acoustic velocity instruments measured tidal water fluxes while other sensors measured vertical and lateral salinity to estimate cross-sectionally averaged salinity. These measurements were used in a time-dependent version of Knudsen's salt balance calculation to estimate the fresh groundwater contribution to the tidal creek. The time-series of fresh groundwater discharge shows the dependence of fresh groundwater discharge on tidal pumping, and the large difference between monthly mean discharge and instantaneous discharge over shorter timescales. The approach developed here can be implemented over timescales from days to years, in any size estuary with dominant groundwater inputs and well-defined cross-sections. The approach also directly links delivery of groundwater from the watershed with fluxes to the coastal environment. Copyright. Published in 2011 by the American Geophysical Union.

Fabrication of microchannels in polycrystalline diamond using pre-fabricated Si substrates

NASA Astrophysics Data System (ADS)

Chandran, Maneesh; Elfimchev, Sergey; Michaelson, Shaul; Akhvlediani, Rozalia; Ternyak, Orna; Hoffman, Alon

2017-10-01

In this paper, we report on a simple, feasible method to fabricate microchannels in diamond. Polycrystalline diamond microchannels were produced by fabricating trenches in a Si wafer and subsequently depositing a thin layer of diamond onto this substrate using the hot filament vapor deposition technique. Fabrication of trenches in the Si substrate at different depths was carried out by standard photolithography, and the subsequent deposition of the diamond layer was performed by the hot filament chemical vapor deposition technique. The growth mechanism of diamond that leads to the formation of closed diamond microchannels is discussed in detail based on the Knudsen number and growth chemistry of diamond. Variations in the crystallite size, crystalline quality, and thickness of the diamond layer along the trench depths were systematically analyzed using cross-sectional scanning electron microscopy and Raman spectroscopy. Defect density and formation of non-diamond forms of carbon in the diamond layer were found to increase with the trench depth, which sets a limit of 5-45 μm trench depth (or an aspect ratio of 1-9) for the fabrication of diamond microchannels using this method under the present conditions.

Cyril M. Harris: Acoustician, educator, and mentor

NASA Astrophysics Data System (ADS)

Raichel, Daniel R.

2005-09-01

Cyril M. Harris belongs to that rare breed of technologists who excel in more than one aspect of acoustics. His achievements are legendary in the realms of architectural acoustics, physical acoustics, ultrasound, and speech processes. He coauthored with Vern O. Knudsen a classic text on architectural acoustics and served as editor of several major references. He also excelled as a teacher and mentor. When the author set up the Acoustics Research Center at the Cooper Union, Dr. Harris came over to see the new facility. At my invitation, he gave a lecture before an audience constituted of engineering and architectural students; one surely had to rate this event as one of the best seminars ever given at that institution. When I wrote The Science and Applications of Acoustics, Dr. Harris was generous in giving me permission to use a number of figures from his published texts. He also sent me students from Columbia to use the acoustic facilities at Cooper. One of his referees, a master's degree candidate, conducted a major study on Guastavino tiles for this thesis, which resulted in a prize-winning publication. The manifold accomplishments, influence, and legacy of Cyril Harris will surely resonate for generations to come.

Investigation of ion kinetic effects in direct-drive exploding-pusher implosions at the NIF

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rosenberg, M. J., E-mail: mrosenbe@mit.edu; Zylstra, A. B.; Séguin, F. H.

Measurements of yield, ion temperature, areal density (ρR), shell convergence, and bang time have been obtained in shock-driven, D{sub 2} and D{sup 3}He gas-filled “exploding-pusher” inertial confinement fusion (ICF) implosions at the National Ignition Facility to assess the impact of ion kinetic effects. These measurements probed the shock convergence phase of ICF implosions, a critical stage in hot-spot ignition experiments. The data complement previous studies of kinetic effects in shock-driven implosions. Ion temperature and fuel ρR inferred from fusion-product spectroscopy are used to estimate the ion-ion mean free path in the gas. A trend of decreasing yields relative to themore » predictions of 2D DRACO hydrodynamics simulations with increasing Knudsen number (the ratio of ion-ion mean free path to minimum shell radius) suggests that ion kinetic effects are increasingly impacting the hot fuel region, in general agreement with previous results. The long mean free path conditions giving rise to ion kinetic effects in the gas are often prevalent during the shock phase of both exploding pushers and ablatively driven implosions, including ignition-relevant implosions.« less

Aerodynamics for the Mars Phoenix Entry Capsule

NASA Technical Reports Server (NTRS)

Edquist, Karl T.; Desai, Prasun N.; Schoenenberger, Mark

2008-01-01

Pre-flight aerodynamics data for the Mars Phoenix entry capsule are presented. The aerodynamic coefficients were generated as a function of total angle-of-attack and either Knudsen number, velocity, or Mach number, depending on the flight regime. The database was constructed using continuum flowfield computations and data from the Mars Exploration Rover and Viking programs. Hypersonic and supersonic static coefficients were derived from Navier-Stokes solutions on a pre-flight design trajectory. High-altitude data (free-molecular and transitional regimes) and dynamic pitch damping characteristics were taken from Mars Exploration Rover analysis and testing. Transonic static coefficients from Viking wind tunnel tests were used for capsule aerodynamics under the parachute. Static instabilities were predicted at two points along the reference trajectory and were verified by reconstructed flight data. During the hypersonic instability, the capsule was predicted to trim at angles as high as 2.5 deg with an on-axis center-of-gravity. Trim angles were predicted for off-nominal pitching moment (4.2 deg peak) and a 5 mm off-axis center-ofgravity (4.8 deg peak). Finally, hypersonic static coefficient sensitivities to atmospheric density were predicted to be within uncertainty bounds.

Energetic study of 4(3H)-pyrimidinone: aromaticity of reactions, hydrogen bond rules, and support for an anomeric effect.

PubMed

Galvão, Tiago L P; Rocha, Inês M; Ribeiro da Silva, Maria D M C; Ribeiro da Silva, Manuel A V

2014-05-08

4(3H)-Pyrimidinone is observed in nature in equilibrium with other tautomeric forms, mimicking the tautomeric equilibrium in pyrimidine nucleobases. In this work, the enthalpy of formation in the gaseous phase of 4(3H)-pyrimidinone was derived from the combination of the enthalpy of formation in the crystalline phase, obtained by static bomb combustion calorimetry, and the enthalpy of sublimation, obtained by Knudsen effusion. The gaseous phase enthalpy of formation of 4(3H)-pyrimidinone was interpreted in terms of isodesmic reactions that consider the enthalpic effects of hydroxypyridines and pyrimidine. After comparison of the experimental and computational results, the same type of isodesmic reactions was used to study the substituent effects of the hydroxyl functional group of 2-, 4-, and 5-hydroxypyrimidines. The influence of aromaticity on the energetics of hydroxypyrimidines was evaluated using the variation of nucleus-independent chemical shifts for several reactions. The influence of intramolecular hydrogen bonds was investigated using the quantum theory of atoms in molecules and the geometric rule of Baker and Hubbard to identify hydrogen bonds. The energetic results obtained were also interpreted in terms of an in plane anomeric effect in the pyrimidine ring.

Substitutional and Interstitial Diffusion in alpha2-Ti3Al(O)

NASA Technical Reports Server (NTRS)

Copland, Evan; Young, David J.; Gleeson, Brian; Jacobson, Nathan

2007-01-01

The reaction between Al2O3 and alpha2-Ti3Al was studied with a series of Al2O3/alpha2-Ti3Al multiphase diffusion couples annealed at 900, 1000 and 1100 C. The diffusion-paths were found to strongly depend on alpha2- Ti3Al(O) composition. For alloys with low oxygen concentrations the reaction involved the reduction of Al2O3, the formation of a gamma-TiAl reaction-layer and diffusion of Al and O into the alpha2-Ti3Al substrate. Measured concentration profiles across the interaction-zone showed "up-hill" diffusion of O in alpha2-Ti3Al(O) indicating a significant thermodynamic interaction between O and Al, Ti or both. Diffusion coefficients for the interstitial O in alpha2-Ti3Al(O) were determined independently from the interdiffusion of Ti and Al on the substitutional lattice. Diffusion coefficients are reported for alpha2-Ti3Al(O) as well as gamma-TiAl. Interpretation of the results were aided with the subsequent measurement of the activities of Al, Ti and O in alpha 2-Ti3Al(O) by Knudsen effusion-cell mass spectrometry.

The Tribological Properties of Several Silahydrocarbons for Use in Space Mechanisms

NASA Technical Reports Server (NTRS)

Jones, W. R., Jr.; Jansen, M. J.; Gschwender, L. J.; Snyder, C. E., Jr.; Sharma, S. K.; Predmore, R. E.; Dube, M. J.

2001-01-01

Silahydrocarbons are members of a relatively new class of liquid lubricants with great potential for use in space mechanisms. They are unimolecular species consisting of silicon, carbon, and hydrogen. They possess unique wear, viscosity, and volatility properties while retaining the ability to solubilize conventional additives. The tribological properties of several members of this class, including tri, tetra- and penta-compounds, are presented. These properties include: viscosity-temperature (ASTM D446), viscosity-pressure coefficient, vapor pressure, volatility, lubricant lifetimes, traction, reciprocating and four ball wear rates and bearing performance. Lubricant lifetimes were determined using a vacuum ball bearing simulator, the spiral orbit tribometer (SOT). Wear was measured using a Cameron Plint reciprocating tribometer and wear rates with a vacuum four ball tribometer. Conventional viscometry was used for viscosity-temperature measurements and a Knudsen cell for vapor pressure. Vacuum Thermogravimetric Analysis (TGA) was also used for volatility measurements. Pressure viscosity coefficients (a values) were estimated from EHL (elastohydrodynamic lubrication) film thickness measurements. Traction coefficients were measured with a twin disk traction rig. Bearing tests were performed in a vacuum bearing test facility. These properties are compared to existing state-of-the-art space lubricants.

Anisotropic nonequilibrium hydrodynamic attractor

NASA Astrophysics Data System (ADS)

Strickland, Michael; Noronha, Jorge; Denicol, Gabriel S.

2018-02-01

We determine the dynamical attractors associated with anisotropic hydrodynamics (aHydro) and the DNMR equations for a 0 +1 d conformal system using kinetic theory in the relaxation time approximation. We compare our results to the nonequilibrium attractor obtained from the exact solution of the 0 +1 d conformal Boltzmann equation, the Navier-Stokes theory, and the second-order Mueller-Israel-Stewart theory. We demonstrate that the aHydro attractor equation resums an infinite number of terms in the inverse Reynolds number. The resulting resummed aHydro attractor possesses a positive longitudinal-to-transverse pressure ratio and is virtually indistinguishable from the exact attractor. This suggests that an optimized hydrodynamic treatment of kinetic theory involves a resummation not only in gradients (Knudsen number) but also in the inverse Reynolds number. We also demonstrate that the DNMR result provides a better approximation of the exact kinetic theory attractor than the Mueller-Israel-Stewart theory. Finally, we introduce a new method for obtaining approximate aHydro equations which relies solely on an expansion in the inverse Reynolds number. We then carry this expansion out to the third order, and compare these third-order results to the exact kinetic theory solution.

Thermodynamic properties of 5(nitrophenyl) furan-2-carbaldehyde isomers.

PubMed

Dibrivnyi, Volodymyr; Sobechko, Iryna; Puniak, Marian; Horak, Yuriy; Obushak, Mykola; Van-Chin-Syan, Yuriy; Andriy, Marshalek; Velychkivska, Nadiia

2015-01-01

The aim of the current work was to determine thermo dynamical properties of 5(2-nitro phenyl)-furan-2-carbaldehyde, 5(3-nitro phenyl)-furan-2-carbaldehyde and 5(4-nitro phenyl)-furan-2-carbaldehyde. The temperature dependence of saturated vapor pressure of 5(2-nitro phenyl)-furan-2-carbaldehyde, 5(3-nitro phenyl)-furan-2-carbaldehyde and 5(4-nitro phenyl)-furan-2-carbaldehyde was determined by Knudsen's effusion method. The results are presented by the Clapeyron-Clausius equation in linear form, and via this form, the standard enthalpies, entropies and Gibbs energies of sublimation and evaporation of compounds were calculated at 298.15 K. The standard molar formation enthalpies of compounds in crystalline state at 298.15 K were determined indirectly by the corresponding standard molar combustion enthalpy, obtained using bomb calorimetry combustion. Determination of the thermodynamic properties for these compounds may contribute to solving practical problems pertaining optimization processes of their synthesis, purification and application and it will also provide a more thorough insight regarding the theoretical knowledge of their nature.Graphical abstract:Generalized structural formula of investigated compounds and their formation enthalpy determination scheme in the gaseous state.

Modeling cardiovascular hemodynamics using the lattice Boltzmann method on massively parallel supercomputers

NASA Astrophysics Data System (ADS)

Randles, Amanda Elizabeth

Accurate and reliable modeling of cardiovascular hemodynamics has the potential to improve understanding of the localization and progression of heart diseases, which are currently the most common cause of death in Western countries. However, building a detailed, realistic model of human blood flow is a formidable mathematical and computational challenge. The simulation must combine the motion of the fluid, the intricate geometry of the blood vessels, continual changes in flow and pressure driven by the heartbeat, and the behavior of suspended bodies such as red blood cells. Such simulations can provide insight into factors like endothelial shear stress that act as triggers for the complex biomechanical events that can lead to atherosclerotic pathologies. Currently, it is not possible to measure endothelial shear stress in vivo, making these simulations a crucial component to understanding and potentially predicting the progression of cardiovascular disease. In this thesis, an approach for efficiently modeling the fluid movement coupled to the cell dynamics in real-patient geometries while accounting for the additional force from the expansion and contraction of the heart will be presented and examined. First, a novel method to couple a mesoscopic lattice Boltzmann fluid model to the microscopic molecular dynamics model of cell movement is elucidated. A treatment of red blood cells as extended structures, a method to handle highly irregular geometries through topology driven graph partitioning, and an efficient molecular dynamics load balancing scheme are introduced. These result in a large-scale simulation of the cardiovascular system, with a realistic description of the complex human arterial geometry, from centimeters down to the spatial resolution of red-blood cells. The computational methods developed to enable scaling of the application to 294,912 processors are discussed, thus empowering the simulation of a full heartbeat. Second, further extensions to enable the modeling of fluids in vessels with smaller diameters and a method for introducing the deformational forces exerted on the arterial flows from the movement of the heart by borrowing concepts from cosmodynamics are presented. These additional forces have a great impact on the endothelial shear stress. Third, the fluid model is extended to not only recover Navier-Stokes hydrodynamics, but also a wider range of Knudsen numbers, which is especially important in micro- and nano-scale flows. The tradeoffs of many optimizations methods such as the use of deep halo level ghost cells that, alongside hybrid programming models, reduce the impact of such higher-order models and enable efficient modeling of extreme regimes of computational fluid dynamics are discussed. Fourth, the extension of these models to other research questions like clogging in microfluidic devices and determining the severity of co-arctation of the aorta is presented. Through this work, a validation of these methods by taking real patient data and the measured pressure value before the narrowing of the aorta and predicting the pressure drop across the co-arctation is shown. Comparison with the measured pressure drop in vivo highlights the accuracy and potential impact of such patient specific simulations. Finally, a method to enable the simulation of longer trajectories in time by discretizing both spatially and temporally is presented. In this method, a serial coarse iterator is used to initialize data at discrete time steps for a fine model that runs in parallel. This coarse solver is based on a larger time step and typically a coarser discretization in space. Iterative refinement enables the compute-intensive fine iterator to be modeled with temporal parallelization. The algorithm consists of a series of prediction-corrector iterations completing when the results have converged within a certain tolerance. Combined, these developments allow large fluid models to be simulated for longer time durations than previously possible.

Variability in Organic-Carbon Sources and Sea-Ice Coverage North of Iceland (Subarctic) During the Past 15,000 Years

NASA Astrophysics Data System (ADS)

Xiao, X.; Zhao, M.; Knudsen, K. L.; Eiriksson, J.; Gudmundsdottir, E. R.; Jiang, H.; Guo, Z.

2017-12-01

Sea ice, prevailing in the polar region and characterized by distinct seasonal and interannual variability, plays a pivotal role in Earth's climate system (Thomas and Dieckmann, 2010). Studies of spatial and temporal changes in modern and past sea-ice occurrence may help to understand the processes controlling the recent decrease in Arctic sea-ice cover. Here, we determined the concentrations of sea-ice diatom-derived biomarker "IP25" (monoene highly-branched isoprenoid with 25 carbon atom; Belt et al., 2007), phytoplankton-derived biomarker brassicasterol and terrigenous biomarker long-chain n-alkanols in a sediment core from the North Icelandic shelf to reconstruct the high-resolution sea-ice variability and the organic-matter sources during the past 15,000 years. During the Bølling/Allerød, the North Icelandic shelf was characterized by extensive spring sea-ice cover linked to reduced flow of warm Atlantic Water and dominant Polar water influence; the input of terrestrial and sea-ice organic matters was high while the marine organic matter derived from phytoplankton productivity was low. Prolonged sea-ice cover with occasional occurrence of seasonal sea ice prevailed during the Younger Dryas interrupted by a brief interval of enhanced Irminger Current; the organic carbon input from sea-ice productivity, terrestrial matter and phytoplankton productivity all decreased. The seasonal sea ice decreased gradually from the Younger Dryas to the onset of the Holocene corresponding to increasing insolation. Therefore, the sea-ice productivity decreased but the phytoplankton productivity increased during this time interval. The biomarker records from this sediment core give insights into the variability in sea ice and organic-carbon sources in the Arctic marginal area during the last deglacial and Holocene. References Belt, S.T., Massé, G., Rowland, S.J., Poulin, M., Michel, C., LeBlanc, B., 2007. A novel chemical fossil of palaeo sea ice: IP25. Org. Geochem. 38, 16-27. Knudsen, K.L. and Eiriksson, J., 2002. Application of tephrochronology to the timing and correlation of palaeoceanographic events recorded in Holocene and Late Glacial shelf sediments off North Iceland. Marine Geology 191, 165-188. Thomas, D. N. and Dieckmann, G. S., 2010. Sea Ice, Blackwell Publ., Oxford, U. K.

Vapor Pressure Measurements of LiBH4, NaBH 4 and Ca(BH4)2 using Knudsen Torsion Effusion Gravimetric Method

NASA Astrophysics Data System (ADS)

Danyan, Mohammad Masoumi

Hydrogen storage is one of the critical technologies needed on the path towards commercialization for mobile applications. In the past few years, a range of new light weight hydrogen containing material has been discovered with good storage properties. Among them, lithium borohydride (LiBH 4) sodium borohydride (NaBH4) and calcium borohydride (Ca(BH 4)2) have shown promising results to be used as solid state hydrogen storage material. In this work, we have determined equilibrium vapor pressures of LiBH 4 NaBH4 and Ca(BH4)2 obtained by Torsion effusion thermogravimetric method. Results for all the three hydrides exhibited that a small fraction of the materials showed congruency, and sublimed as gaseous compound, but the majority of the material showed incongruent vaporization. Two Knudsen cells of 0.3 and 0.6mm orifice size was employed to measure the total vapor pressures. A Whitman-Motzfeldt method is used to extrapolate the measured vapor pressures to zero orifice size to calculate the equilibrium vapor pressures. In the case of LiBH4 we found that 2% of the material evaporated congruently (LiBH4(s) → LiBH4(g)) according to the equation: logPLiBH4/P 0 =-3263.5 +/-309/T + (1.079 +/-0.69) and rest as incongruent vaporization to LiH, B, and hydrogen gas according to the equation logPeq/P0 =(-3263.5 +/-309)/T+ (2.458 +/-0.69) with DeltaH evap.= 62.47+/-5.9 kJ/mol of H2, DeltaSevap. = 47.05+/-13 J/mol of H2.K. The NaBH4 also had somewhat similar behavior, with 9% congruent evaporation and equilibrium vapor pressure equation of logPLiBH4=-7700+/-335/ T+ (6.7+/-1.5) and 91% incongruent decomposition to Na and Boron metal, and hydrogen gas. The enthalpy of vaporization; DeltaHevap. = 147.2+/-6.4kJ/molH2 and DeltaSevap.= 142 +/-28 kJ/molH2.K (550-650K). The Ca(BH4) 2 exhibited similar vaporization behavior with congruency of 3.2%. The decomposition products are CaH2 and Boron metal with evolution of hydrogen gas varying with the pressure equation as logPeq /P0 =(-1562.7 +/-177)/ T+ (2.57 +/-0.155). The enthalpy and entropy of vaporization, DeltaH evap.= 29.9+/-3.3kJ/molH2, DeltaSevap.=49.14 +/-2.9 J/molH2.K (400-650K) respectively. More details of the properties of the vaporization such partial pressures of effusing gases, Gibbs energies of vaporization, molecular weight of effusing gases, as well as decomposition products, evaporation reactions, thermodynamic modeling of the disproportionation of these three compounds are discussed in this dissertation.

Synchrotron X-ray Scattering from Self-organized Soft Nanostructures in Clays

NASA Astrophysics Data System (ADS)

Fossum, J. O.

2009-04-01

In the general context of self-organization of nanoparticles (in our case clay particles), and transitions in such structures, we study interconnected universal complex physical phenomena such as: (i) spontaneous gravitationally induced phase separation and nematic self-organization in systems of anisotropic clay nanoparticles in aqueous suspension, including studies of isotropic to nematic transitions [1,2] (ii) transitions from biaxial to uniaxial nematics by application of external magnetic field to self-organized systems of the same anisotropic (diamagnetic) clay nanoparticle systems [3,4] (iii) guided self-organization into chainlike structures of the same anisotropic clay nanoparticles in oil suspension when subjected to external electrical fields (electrorheological structures of polarized nanoparticles), and the stability of, and transitions of, such structures, when subjected to external mechanical stress [5,6] The experimental techniques used by us include synchrotron X-ray scattering, neutron scattering, rheometry. microscopy and magnetic resonance. We have demonstrated that clays may be used as good model systems for studies of universal physical phenomena and transitions in self-organized nanostructured soft and complex matter. Self-organization and related transitions in clay systems in particular, may have practical relevance for nano-patterning, properties of nanocomposites, and macroscopically anisotropic gels, among many other applications [7]. The synchrotron experiments have been performed at LNLS-Brazil, PLS- Korea, BNL-USA and ESRF-France. Acknowledgments: Collaborators, postdocs and students at NTNU-Norway, UiO-Norway, IFE-Norway, BNL-USA, LNLS-Brazil, UFPE-Brazil, UnB-Brazil, Univ. Amsterdam-Netherlands, Univ.Paris 7-France and other places. This research has been supported by the Research Council of Norway (RCN), through the NANOMAT, SUP and FRINAT Programs. References 1. J.O. Fossum, E. Gudding, D.d.M. Fonseca, Y. Meheust, E. DiMasi, T. Gog, C. Venkataraman, Observations of orientational ordering in aqueous suspensions of a nano-layered silicate, ENERGY The International Journal 30, 873 (2005). 2. D. M. Fonseca, Y. Méheust, J. O. Fossum, K. D. Knudsen, K. J. Måløy and K. P. S. Parmar, Phase behavior of platelet-shaped nanosilicate colloids in saline solutions: A small-angle X-ray scattering study J. Appl. Cryst. 40 292 (2007) 3. E. N. de Azevedo, M. Engelsberg, J. O. Fossum, R. E. de Souza, Anisotropic water diffusion in nematic self-assemblies of clay nano-platelets suspended in water, Langmuir 23, 5100 (2007) 4. Nils Ivar Ringdal, Master thesis, Department of Physics, NTNU (2008) 5. J.O. Fossum, Y. Meheust, K.P.S. Parmar, K.D. Knudsen, K.J. Maloy, D.d.M. Fonseca, Intercalation-enhanced electric polarization and chain formation of nano-layered particles, Europhys. Lett., 74, 438 (2006), and in the Scientific Highlights 2006 of the European Synchrotron Radiation Facility - ESRF (2007) 6. K.P.S. Parmar, Y. Meheust, B. Schelderupsen and J.O. Fossum, Electrorheological suspensions of laponite in oil: rheometry studies, Langmuir 24,1814 (2008) 7. F. Bergaya, B. K. G. Theng, and G. Lagaly, editors. Handbook of Clay Science. Elsevier (2006)

Formation of gamma(sup prime)-Ni3Al via the Peritectoid Reaction: gamma + beta (+ Al2O3)=gamma(sup prime)(+ Al2O3)

NASA Technical Reports Server (NTRS)

Copeland, Evan

2008-01-01

The activities of Al and Ni were measured using multi-cell Knudsen effusion-cell mass spectrometry (multi-cell KEMS), over the composition range 8-32 at.%Al and temperature range T=1400-1750 K in the Ni-Al-O system. These measurements establish that equilibrium solidification of gamma(sup prime)-Ni3Al-containing alloys occurs by the eutectic reaction, L (+ Al2O3)=gamma + Beta(+ Al2O3), at 1640 +/- 1 K and a liquid composition of 24.8 +/- 0.2 at.%al (at an unknown oxygen content). The {gamma + Beta (+Al2O3} phase field is stable over the temperature range 1633-1640 K, and gamma(sup prime)-Ni3Al forms via the peritectoid, gamma + Beta (+ Al2O3)=gamma(sup prime) (+ Al2O3), at 1633 +/- 1 K. This behavior is consistent with the current Ni-Al phase diagram and a new diagram is proposed. This new Ni-Al phase diagram explains a number of unusual steady-state solidification structures reported previously and provides a much simpler reaction scheme in the vicinity of the gamma(sup prime)-Ni2Al phase field.

Functionalized inorganic membranes for gas separation

DOEpatents

Ku, Anthony Yu-Chung [Rexford, NY; Ruud, James Anthony [Delmar, NY; Molaison, Jennifer Lynn [Marietta, GA; Schick, Louis Andrew ,; Ramaswamy, Vidya [Niskayuna, NY

2008-07-08

A porous membrane for separation of carbon dioxide from a fluid stream at a temperature higher than about 200.degree. C. with selectivity higher than Knudsen diffusion selectivity. The porous membrane comprises a porous support layer comprising alumina, silica, zirconia or stabilized zirconia; a porous separation layer comprising alumina, silica, zirconia or stabilized zirconia, and a functional layer comprising a ceramic oxide contactable with the fluid stream to preferentially transport carbon dioxide. In particular, the functional layer may be MgO, CaO, SrO, BaO, La.sub.2O.sub.3, CeO.sub.2, ATiO.sub.3, AZrO.sub.3, AAl.sub.2O.sub.4, A.sup.1FeO.sub.3, A.sup.1MnO.sub.3, A.sup.1CoO.sub.3, A.sup.1NiO.sub.3, A.sup.2HfO.sub.3, A.sup.3CeO.sub.3, Li.sub.2ZrO.sub.3, Li.sub.2SiO.sub.3, Li.sub.2TiO.sub.3 or a mixture thereof; wherein A is Mg, Ca, Sr or Ba; A.sup.1 is La, Ca, Sr or Ba; A.sup.2 is Ca, Sr or Ba; and A.sup.3 is Sr or Ba.

Comparing the Thermodynamic Behaviour of Al(1)+ZrO2(s) to Al(1)+Al2O3(s)

NASA Technical Reports Server (NTRS)

Copland, Evan

2004-01-01

In an effort to better determine the thermodynamic properties of Al(g) and Al2O(g). the vapor in equilibrium with Al(l)+ZrO2(s) was compared to the vapor in equilibrium with Al(l)+Al2O3(s) over temperature range 1197-to-1509K. The comparison was made directly by Knudsen effusion-cell mass spectrometry with an instrument configured for a multiple effusion-cell vapor source (multi-cell KEMS). Second law enthalpies of vaporization of Al(g) and Al2O(g) together with activity measurements show that Al(l)+ZrO2(s) is thermodynamically equivalent to Al(l)+Al2O3(s), indicating Al(l) remained pure and Al2O3(s) was present in the ZrO2-cell. Subsequent observation of the Al(l)/ZrO2 and vapor/ZrO2 interfaces revealed a thin Al2O3-layer had formed, separating the ZrO2-cell from Al(l) and Al(g)+Al2O(g), effectively transforming it into an Al2O3 effusion-cell. This behavior agrees with recent observations made for Beta-NiAl(Pt) alloys measured in ZrO2 effusion-cell.

From Philharmonic Hall to number theory: The way to more diffusion

NASA Astrophysics Data System (ADS)

Schroeder, Manfred R.

2005-09-01

In September 1962, in the presence of Mrs. Jacqueline Kennedy, Philharmonic Hall in New York was inaugurated-the first building of the new Lincoln Center for the Performing Arts. To address the soon-apparent acoustic problems, Lincoln Center turned to Bell Laboratories for help, and I was asked to join a ``committee of experts,'' chaired by Vern O. Knudsen of UCLA. My work on Philharmonic Hall, assisted by B.S. Atal, G.M. Sessler, and J.E. West, and later, after my move to Göttingen, by my students D. Gottlob, F.K. Siebrasse, and U. Eysholdt, indicated a need for energetic early lateral sound. It was clear that better lateral diffusion could improve the acoustic quality and the feeling of ``envelopment'' by the sound. Knowing some Galois field mathematics, I lucked upon the design of diffusors which scattered incident waves into broad lateral patterns-but only for a single musical octave. Then, in 1977, during a celebration of the 200th anniversary of Gauss's birth, I heard a talk by André Weil on Gauss sums and quadratic residues and, in a flash, it became clear to me that diffusors based on quadratic residues were the answer to broadly scattering waves comprising many musical octaves.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bu, Lintao; Nimlos, Mark R.; Robichaud, David J.

Hierarchical mesoporous zeolites exhibit higher catalytic activities and longer lifetime compared to the traditional microporous zeolites due to improved diffusivity of substrate molecules and their enhanced access to the zeolite active sites. Understanding diffusion of biomass pyrolysis vapors and their upgraded products in such materials is fundamentally important during catalytic fast pyrolysis (CFP) of lignocellulosic biomass, since diffusion makes major contribution to determine shape selectivity and product distribution. However, diffusivities of biomass relevant species in hierarchical mesoporous zeolites are poorly characterized, primarily due to the limitations of the available experimental technology. In this work, molecular dynamics (MD) simulations are utilizedmore » to investigate the diffusivities of several selected coke precursor molecules, benzene, naphthalene, and anthracene, in hierarchical mesoporous H-ZSM-5 zeolite. The effects of temperature and size of mesopores on the diffusivity of the chosen model compounds are examined. The simulation results demonstrate that diffusion within the microspores as well as on the external surface of mesoporous H-ZSM-5 dominates only at low temperature. At pyrolysis relevant temperatures, mass transfer is essentially conducted via diffusion along the mesopores. Additionally, the results illustrate the heuristic diffusion model, such as the extensively used Knudsen diffusion, overestimates the diffusion of bulky molecules in the mesopores, thus making MD simulation a powerful and compulsory approach to explore diffusion in zeolites.« less

Lattice Boltzmann scheme for mixture modeling: analysis of the continuum diffusion regimes recovering Maxwell-Stefan model and incompressible Navier-Stokes equations.

PubMed

Asinari, Pietro

2009-11-01

A finite difference lattice Boltzmann scheme for homogeneous mixture modeling, which recovers Maxwell-Stefan diffusion model in the continuum limit, without the restriction of the mixture-averaged diffusion approximation, was recently proposed [P. Asinari, Phys. Rev. E 77, 056706 (2008)]. The theoretical basis is the Bhatnagar-Gross-Krook-type kinetic model for gas mixtures [P. Andries, K. Aoki, and B. Perthame, J. Stat. Phys. 106, 993 (2002)]. In the present paper, the recovered macroscopic equations in the continuum limit are systematically investigated by varying the ratio between the characteristic diffusion speed and the characteristic barycentric speed. It comes out that the diffusion speed must be at least one order of magnitude (in terms of Knudsen number) smaller than the barycentric speed, in order to recover the Navier-Stokes equations for mixtures in the incompressible limit. Some further numerical tests are also reported. In particular, (1) the solvent and dilute test cases are considered, because they are limiting cases in which the Maxwell-Stefan model reduces automatically to Fickian cases. Moreover, (2) some tests based on the Stefan diffusion tube are reported for proving the complete capabilities of the proposed scheme in solving Maxwell-Stefan diffusion problems. The proposed scheme agrees well with the expected theoretical results.

Vapor pressures, thermodynamic stability, and fluorescence properties of three 2,6-alkyl naphthalenes.

PubMed

Santos, Ana Filipa L O M; Oliveira, Juliana A S A; Ribeiro da Silva, Maria D M C; Monte, Manuel J S

2016-03-01

This work reports the experimental determination of relevant thermodynamic properties and the characterization of luminescence properties of the following polycyclic aromatic hydrocarbons (PAHs): 2,6-diethylnaphthalene, 2,6-diisopropylnaphthalene and 2,6-di-tert-butylnaphthalene. The standard (p(o) = 0.1 MPa) molar enthalpies of combustion, ΔcHm(o), of the three compounds were determined using static bomb combustion calorimetry. The vapor pressures of the crystalline phase of 2,6-diisopropylnaphthalene and 2,6-di-tert-butylnaphthalene were measured at different temperatures using the Knudsen effusion method and the vapor pressures of both liquid and crystalline phases of 2,6-diethylnaphthalene were measured by means of a static method. The temperatures and the molar enthalpies of fusion of the three compounds were determined using differential scanning calorimetry. The gas-phase molar heat capacities and absolute entropies of the three 2,6-dialkylnaphthalenes studied were determined computationally. The thermodynamic stability of the compounds in both the crystalline and gaseous phases was evaluated by the determination of the Gibbs energies of formation and compared with the ones reported in the literature for 2,6-dimethylnaphthalene. From fluorescence spectroscopy measurements, the optical properties of the compounds studied and of naphthalene were evaluated in solution and in the solid state. Copyright © 2015 Elsevier Ltd. All rights reserved.

Real-time measurement of sodium chloride in individual aerosol particles by mass spectrometry

NASA Technical Reports Server (NTRS)

Sinha, M. P.; Friedlander, S. K.

1985-01-01

The method of particle analysis by mass spectrometry has been applied to the quantitative measurement of sodium chloride in individual particles on a real-time basis. Particles of known masses are individually introduced, in the form of a beam, into a miniature Knudsen cell oven (1600 K). The oven is fabricated from rhenium metal sheet (0.018 mm thick) and is situated in the ion source of a quadrupole mass spectrometer. A particle once inside the oven is trapped and completely volatilized; this overcomes the problem of partial volatilization due to particles bouncing from the filament surface. Individual particles are thermally volatilized and ionized inside the rhenium oven, and produce discrete sodium ion pulses whose intensities are measured with the quadrupole mass spectrometer. An ion pulse width of several milliseconds (4-12 ms) is found for particles in the mass range 1.3 x 10 to the -13th to 5.4 x 10 to the -11th g. The sodium ion intensity is found to be proportional to the particle mass to the 0.86-power. The intensity distribution for monodisperse aerosol particles possesses a geometric standard deviation of 1.09, showing that the method can be used for the determination of the mass distribution function with good resolution in a polydisperse aerosol.

FutureTox III: Bridges for Translation | Science Inventory | US ...

EPA Pesticide Factsheets

The present document describes key discussion points and outcomes of a Society of Toxicology (SOT) Contemporary Concepts in Toxicology (CCT) Workshop, entitled FutureTox III1,2 that was held in Crystal City, Virginia, November 19-20, 2015. The workshop built on the many lessons learned from the first 10 years of TT21 and the first two workshops in the FutureTox series (for summary of FutureTox II see (Knudsen et al., 2015); for summary of FutureTox I see (Rowlands et al., 2014)). FutureTox III was attended in person and via webcast by more than 300 scientists from government research and regulatory agencies, research institutes, academia, and the chemical and pharmaceutical industries in Europe, Canada, and the United States. The meeting materials for FutureTox III, currently available to meeting registrants at http://www.toxicology.org/events/shm/cct/meetings.asp#upcoming-pnl-open, will be open to the public on November 29, 2016. At this workshop, participants reviewed and discussed the state of the science in toxicology and human risk and exposure assessment with a focus on moving TT21 science into the arena of regulatory decision-making. This manuscript describes the outcome of the FutureTox III 'contemporary concepts in toxicology' conference of the Society Toxicology, held November 2015 in Crystal City VA.

Unified implicit kinetic scheme for steady multiscale heat transfer based on the phonon Boltzmann transport equation

NASA Astrophysics Data System (ADS)

Zhang, Chuang; Guo, Zhaoli; Chen, Songze

2017-12-01

An implicit kinetic scheme is proposed to solve the stationary phonon Boltzmann transport equation (BTE) for multiscale heat transfer problem. Compared to the conventional discrete ordinate method, the present method employs a macroscopic equation to accelerate the convergence in the diffusive regime. The macroscopic equation can be taken as a moment equation for phonon BTE. The heat flux in the macroscopic equation is evaluated from the nonequilibrium distribution function in the BTE, while the equilibrium state in BTE is determined by the macroscopic equation. These two processes exchange information from different scales, such that the method is applicable to the problems with a wide range of Knudsen numbers. Implicit discretization is implemented to solve both the macroscopic equation and the BTE. In addition, a memory reduction technique, which is originally developed for the stationary kinetic equation, is also extended to phonon BTE. Numerical comparisons show that the present scheme can predict reasonable results both in ballistic and diffusive regimes with high efficiency, while the memory requirement is on the same order as solving the Fourier law of heat conduction. The excellent agreement with benchmark and the rapid converging history prove that the proposed macro-micro coupling is a feasible solution to multiscale heat transfer problems.

Silicon spikes and impurity accumulation at interrupted growth interfaces during molecular-beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

SpringThorpe, A.J.; Moore, W.T.; Majeed, A.

1993-07-01

Recent proposals by Wood and Wilson, to explain the formation of impurity spikes at substrate/epitaxial layer interfaces in GaAs prepared by molecular-beam epitaxy (MBE), have been experimentally investigated. Their suggestion that the spikes form due to suboxide transport via reactions that involve the As{sub 2}O{sub 3} released from the substrate during oxide desorption and hot Knudsen cells, is not supported by the experimental data. The same authors have also speculated that there may be significant flux leakage from nominally closed cells. For this to occur, reflection and scattering of flux by inadequately cooled cryoshroud baffle surfaces are necessary. Secondary ionmore » mass spectrometry analyses of interfaces, at which the growth of GaAs and AlAs was interrupted for times up to 30 min, confirm that this takes place. However, flux leakage is only found to be significant for the high vapor pressure group III elements. For these elements, incorporation levels in the range 0.02%-0.1% are found under normal deposition conditions. These results suggest that careful attention should be given to increasing the internal MBE system baffling in order to eliminate cross contamination problems. 14 refs., 2 figs., 1 tab.« less

Exploration of the Transition from the Hydrodynamic-like to the Strongly Kinetic Regime in Shock-Driven Implosions

DOE PAGES

Rosenberg, M. J.; Rinderknecht, H. G.; Hoffman, N. M.; ...

2014-05-05

Clear evidence of the transition from hydrodynamiclike to strongly kinetic shock-driven implosions is, for the first time, revealed and quantitatively assessed. Implosions with a range of initial equimolar D 3He gas densities show that as the density is decreased, hydrodynamic simulations strongly diverge from and increasingly over-predict the observed nuclear yields, from a factor of ~2 at 3.1 mg/cm 3 to a factor of 100 at 0.14 mg/cm 3. (The corresponding Knudsen number, the ratio of ion mean-free path to minimum shell radius, varied from 0.3 to 9; similarly, the ratio of fusion burn duration to ion diffusion time, anothermore » figure of merit of kinetic effects, varied from 0.3 to 14.) This result is shown to be unrelated to the effects of hydrodynamic mix. As a first step to garner insight into this transition, a reduced ion kinetic (RIK) model that includes gradient-diffusion and loss-term approximations to several transport processes was implemented within the framework of a one-dimensional radiation-transport code. After empirical calibration, the RIK simulations reproduce the observed yield trends, largely as a result of ion diffusion and the depletion of the reacting tail ions.« less

Chemical compatibility between UO2 fuel and SiC cladding for LWRs. Application to ATF (Accident-Tolerant Fuels)

NASA Astrophysics Data System (ADS)

Braun, James; Guéneau, Christine; Alpettaz, Thierry; Sauder, Cédric; Brackx, Emmanuelle; Domenger, Renaud; Gossé, Stéphane; Balbaud-Célérier, Fanny

2017-04-01

Silicon carbide-silicon carbide (SiC/SiC) composites are considered to replace the current zirconium-based cladding materials thanks to their good behavior under irradiation and their resistance under oxidative environments at high temperature. In the present work, a thermodynamic analysis of the UO2±x/SiC system is performed. Moreover, using two different experimental methods, the chemical compatibility of SiC towards uranium dioxide, with various oxygen contents (UO2±x) is investigated in the 1500-1970 K temperature range. The reaction leads to the formation of mainly uranium silicides and carbides phases along with CO and SiO gas release. Knudsen Cell Mass Spectrometry is used to measure the gas release occurring during the reaction between UO2+x and SiC powders as function of time and temperature. These experimental conditions are representative of an open system. Diffusion couple experiments with pellets are also performed to study the reaction kinetics in closed system conditions. In both cases, a limited chemical reaction is observed below 1700 K, whereas the reaction is enhanced at higher temperature due to the decomposition of SiC leading to Si vaporization. The temperature of formation of the liquid phase is found to lie between 1850 < T < 1950 K.

Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)].

PubMed

Lousada, Claudio M; Pinto, Susana S; Lopes, José N Canongia; da Piedade, M Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas

2008-04-03

The standard molar enthalpies of sublimation of ferrocene, 1,1'-dimethylferrocene, decamethylferrocene, ferrocenecarboxaldehyde and alpha-methylferrocenemethanol, and the enthalpy of vaporization of N,N-dimethyl(aminomethyl)ferrocene, at 298.15 K, were determined by Calvet-drop microcalorimetry and/or the Knudsen effusion method. The obtained values were used to assess and refine our previously developed force field for metallocenes. The modified force field was able to reproduce the deltasubHdegreesm and deltavapHdegreesm values of the test-set with an accuracy better than 5 kJ.mol-1, except for decamethylferrocene, in which case the deviation between the calculated and experimental deltasubHdegreesm values was 16.1 kJ.mol-1. The origin of the larger error found in the prediction of the sublimation energetics of decamethylferrocene, and which was also observed in the estimation of structural properties (e.g., density and unit cell dimensions), is discussed. Finally, the crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)] at 293 and 150 K, respectively, are reported.

Modeling and Simulation of Ablation-Controlled Plasmas

NASA Astrophysics Data System (ADS)

Kundrapu, Madhusudhan N.

Ablation and plasma formation in high energy laser target interactions and arc discharges are studied numerically. Each of the two processes is modeled separately due to the type of energy source and the resulting flow eld. Ablation of the target material and plasma formation are coupled to obtain evaporation rate, temperature distribution, velocity eld, and species concentration self-consistently. Laser ablation is studied in the perspective of directed energy applications, where beam size varies from few centimeters to tens of centimeters with energies extending up to 10 kW/cm2. Because of this high energy deposition, the evaporated material expands to supersonic speeds into the free space. Due to the large spot sizes and associated supersonic flow, one dimensional Euler equations are considered to be sufficient for modeling the plume. Instead, more emphasis was given to evaporation model, by introducing Knudsen layer kinetics at the plume target interface, and plasma shielding. The evaporation rate is validated with results from the experiments and simulations are carried out to nd the in fluence of laser beam frequency on evaporation rates. The evaporation model used in this work is found to be more accurate than the widely used model based on sonic speed assumption. The optimum beam wavelength for Al surfaces is found to be 850 nm. Attenuation of telemetry data by plasma is a concern for the testing of directed energy systems. Electrostatic approach for the mitigation of communication attenuation is analyzed to obtain the fluency limits up to which the approach can be implemented. It is found from sheath calculations that uninterrupted telemetry can be achieved through Al plasma for fluences below 4 J/cm2 at a background pressure of 1 atm, using a maximum bias voltage of 10 kV . Arc discharge ablation is modeled for the synthesis of nanoparticles. The electric arc generated between the electrodes, placed inside a Helium chamber, evaporates the catalyst-lled carbon anode to form a web of nanoparticles. Conservative form of Navier-Stokes equations along with energy equation and species transport are solved in cylindrical coordinates using SIMPLER algorithm. Current continuity in electric potential form is solved to obtain the potential distribution. Current is then calculated from the potential, and from axial current, magnetic eld is obtained using Ampere's law. Anode sublimation rate and current voltage characteristics are compared with experiments for arc currents varying from 10 to 100 A. Nanoparticle formation is estimated using homogeneous nucleation and surface diusion models. For an arc current of 60 A and inter-electrode gap of 4 mm with 68 Pa, the diameter of Nickel cluster is found to be 9.2 nm, which agrees with the upper limit of TEM measurements. The length of single walled nanotube is found to be 3.5 mum for this case. Parametric studies carried out by varying arc current, background pressure, and electrode gap showed moderate in uence on the growth rate. Hot chamber arc discharge method, proposed in this work, is found to be promising to maximize the growth of nanoparticles.

Determination of mass and heat transfer parameters during freeze-drying cycles of pharmaceutical products.

PubMed

Hottot, A; Vessot, S; Andrieu, J

2005-01-01

The principal aim of this study was to evaluate the water vapour mass transfer resistance of the dried layer and the vial heat transfer coefficient values of a pharmaceutical product during the primary drying period. First, overall vial heat transfer coefficient values, Kv, were determined by a gravimetric method based on pure ice sublimation experiments. Thus, it was possible to set up a map of the total heat flux received by each vial throughout the plate surface of our pilot scale freeze-dryer. Important heterogeneities were observed for the vials placed at the plate edges and for the vials placed at the center of the plate. As well, the same gravimetric method was also used to precisely determine the influence of main lyophilization operating parameters (shelf temperature and gas total pressure) or the vial types and sizes on these overall heat transfer coefficient values. A semi-empirical relationship as a function of total gas pressure was proposed. The transient method by pressure rise analysis (PRA method) after interrupting the water vapour flow between the sublimation chamber and the condenser, previously set up and validated in our laboratory, was then extensively used with an amorphous BSA-based formulation to identify the dried layer mass transfer resistance values, Rp, the ice front temperature, and the total heat transfer coefficient values, Kv, with or without annealing treatment. It was proved that this method gave accurate and coherent data only during the first half of the sublimation period when the totality of the vials of the set was still sublimating. Thus, this rapid method allowed estimation of, on line and in situ, the sublimation front temperature and the characterization of the morphology and structure of the freeze-dried layer, all along the first part of the sublimation period. The estimated sublimation temperatures shown by the PRA model were about 2 degrees C lower than the experimental values obtained using thermocouples inserted inside the vial, in accordance with previous data given by this method for similar freeze-drying conditions. As well, by using this method we could confirm the homogenization of the dried layer porous structure by annealing treatment after the freezing step. Furthermore, frozen matrix structure analysis (mean pore diameter) using optical microscopy and mass transfer modelling of water vapour by molecular diffusion (Knudsen regime) allowed, in some cases, to predict the experimental values of this overall mass transfer resistance directly related to the freeze-dried cake permeability.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loyalka, Sudarshan

High and Very High Temperatures Gas Reactors (HTGRs/VHTRs) have five barriers to fission product (FP) release: the TRISO fuel coating, the fuel elements, the core graphite, the primary coolant system, and the reactor building. This project focused on measurements and computations of FP diffusion in graphite, FP adsorption on graphite and FP interactions with dust particles of arbitrary shape. Diffusion Coefficients of Cs and Iodine in two nuclear graphite were obtained by the release method and use of Inductively Coupled Plasma-Mass Spectroscopy (ICP-MS) and Instrumented Neutron Activation Analysis (INAA). A new mathematical model for fission gas release from nuclear fuelmore » was also developed. Several techniques were explored to measure adsorption isotherms, notably a Knudsen Effusion Mass Spectrometer (KEMS) and Instrumented Neutron Activation Analysis (INAA). Some of these measurements are still in progress. The results will be reported in a supplemental report later. Studies of FP interactions with dust and shape factors for both chain-like particles and agglomerates over a wide size range were obtained through solutions of the diffusion and transport equations. The Green's Function Method for diffusion and Monte Carlo technique for transport were used, and it was found that the shape factors are sensitive to the particle arrangements, and that diffusion and transport of FPs can be hindered. Several journal articles relating to the above work have been published, and more are in submission and preparation.« less

Experimental and computational thermochemical study of α-alanine (DL) and β-alanine.

PubMed

da Silva, Manuel A V Ribeiro; da Silva, Maria das Dores M C Ribeiro; Santos, Ana Filipa L O M; Roux, Maria Victoria; Foces-Foces, Concepción; Notario, Rafael; Guzmán-Mejía, Ramón; Juaristi, Eusebio

2010-12-16

This paper reports an experimental and theoretical study of the gas phase standard (p° = 0.1 MPa) molar enthalpies of formation, at T = 298.15 K, of α-alanine (DL) and β-alanine. The standard (p° = 0.1 MPa) molar enthalpies of formation of crystalline α-alanine (DL) and β-alanine were calculated from the standard molar energies of combustion, in oxygen, to yield CO2(g), N2(g), and H2O(l), measured by static-bomb combustion calorimetry at T = 298.15 K. The vapor pressures of both amino acids were measured as function of temperature by the Knudsen effusion mass-loss technique. The standard molar enthalpies of sublimation at T = 298.15 K was derived from the Clausius−Clapeyron equation. The experimental values were used to calculate the standard (p° = 0.1 MPa) enthalpy of formation of α-alanine (DL) and β-alanine in the gaseous phase, Δ(f)H(m)°(g), as −426.3 ± 2.9 and −421.2 ± 1.9 kJ·mol(−1), respectively. Standard ab initio molecular orbital calculations at the G3 level were performed. Enthalpies of formation, using atomization reactions, were calculated and compared with experimental data. Detailed inspections of the molecular and electronic structures of the compounds studied were carried out.

Binary pulsars as probes of a Galactic dark matter disk

NASA Astrophysics Data System (ADS)

Caputo, Andrea; Zavala, Jesús; Blas, Diego

2018-03-01

As a binary pulsar moves through a wind of dark matter particles, the resulting dynamical friction modifies the binary's orbit. We study this effect for the double disk dark matter (DDDM) scenario, where a fraction of the dark matter is dissipative and settles into a thin disk. For binaries within the dark disk, this effect is enhanced due to the higher dark matter density and lower velocity dispersion of the dark disk, and due to its co-rotation with the baryonic disk. We estimate the effect and compare it with observations for two different limits in the Knudsen number (Kn). First, in the case where DDDM is effectively collisionless within the characteristic scale of the binary (Kn ≫ 1) and ignoring the possible interaction between the pair of dark matter wakes. Second, in the fully collisional case (Kn ≪ 1), where a fluid description can be adopted and the interaction of the pair of wakes is taken into account. We find that the change in the orbital period is of the same order of magnitude in both limits. A comparison with observations reveals good prospects to probe currently allowed DDDM models with timing data from binary pulsars in the near future. We finally comment on the possibility of extending the analysis to the intermediate (rarefied gas) case with Kn ∼ 1.

Gas permeation in a molecular crystal and space expansion.

PubMed

Takasaki, Yuichi; Takamizawa, Satoshi

2014-05-14

A novel single-crystal membrane [Cu(II)2(4-F-bza)4(2-mpyz)]n (4-F-bza = 4-fluorobenzoate; 2-mpyz = 2-methylpyrazine) was synthesized and its identical permeability in any crystal direction in the correction for tortuosity proved that gas diffuses inside the channels without detour. H2 permeated by 1.18 × 10(-12) mol m m(-2) s(-1) Pa(-1) with a high selectivity (Fα: 23.5 for H2/CO and 48.0 for H2/CH4) through its 2D-channels having a minimum diameter of 2.6 Å, which is narrower than the Lennard-Jones diameter of H2 (2.827 Å), CO (3.690 Å), and CH4 (3.758 Å). The high rate of permeation was well explained by a modified Knudsen diffusion model based on the space expansion effect, which agrees with the observed permselectivity enhanced for smaller gases in considering the expansion of a channel resulting from the collision of gas molecules or atoms onto the channel wall. An analysis of single-crystal X-ray data showed the expansion order to be H2 > Ar > CH4, which was expected from the permeation analysis. The permselectivity of a porous solid depends on the elasticity of the pores as well as on the diameter of the vacant channel and the size of the target gas.

Brownian relaxation of an inelastic sphere in air

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bird, G. A., E-mail: gab@gab.com.au

2016-06-15

The procedures that are used to calculate the forces and moments on an aerodynamic body in the rarefied gas of the upper atmosphere are applied to a small sphere of the size of an aerosol particle at sea level. While the gas-surface interaction model that provides accurate results for macroscopic bodies may not be appropriate for bodies that are comprised of only about a thousand atoms, it provides a limiting case that is more realistic than the elastic model. The paper concentrates on the transfer of energy from the air to an initially stationary sphere as it acquires Brownian motion.more » Individual particle trajectories vary wildly, but a clear relaxation process emerges from an ensemble average over tens of thousands of trajectories. The translational and rotational energies in equilibrium Brownian motion are determined. Empirical relationships are obtained for the mean translational and rotational relaxation times, the mean initial power input to the particle, the mean rates of energy transfer between the particle and air, and the diffusivity. These relationships are functions of the ratio of the particle mass to an average air molecule mass and the Knudsen number, which is the ratio of the mean free path in the air to the particle diameter. The ratio of the molecular radius to the particle radius also enters as a correction factor. The implications of Brownian relaxation for the second law of thermodynamics are discussed.« less

Determination of Chlorinity of Water without the Use of Chromate Indicator

PubMed Central

Hong, Tae-Kee; Kim, Myung-Hoon; Czae, Myung-Zoon

2010-01-01

A new method for determining chlorinity of water was developed in order to improve the old method by alleviating the environmental problems associated with the toxic chromate. The method utilizes a mediator, a weak acid that can form an insoluble salt with the titrant. The mediator triggers a sudden change in pH at an equivalence point in a titration. Thus, the equivalence point can be determined either potentiometrically (using a pH meter) or simply with an acid-base indicator. Three nontoxic mediators (phosphate, EDTA, and sulfite) were tested, and optimal conditions for the sharpest pH changes were sought. A combination of phosphate (a mediator) and phenolphthalein (an indicator) was found to be the most successful. The choices of the initial pH and the concentration of the mediator are critical in this approach. The optimum concentration of the mediator is ca. 1~2 mM, and the optimum value of the initial pH is ca. 9 for phosphate/phenolphthalein system. The method was applied to a sample of sea water, and the results are compared with those from the conventional Mohr-Knudsen method. The new method yielded chlorinity of a sample of sea water of (17.58 ± 0.22) g/kg, which is about 2.5% higher than the value (17.12 ± 0.22) g/kg from the old method. PMID:21461358

The Effect of Viscous Air Damping on an Optically Actuated Multilayer MoS2 Nanomechanical Resonator Using Fabry-Perot Interference

PubMed Central

She, Yumei; Li, Cheng; Lan, Tian; Peng, Xiaobin; Liu, Qianwen; Fan, Shangchun

2016-01-01

We demonstrated a multilayer molybdenum disulfide (MoS2) nanomechanical resonator by using optical Fabry-Perot (F-P) interferometric excitation and detection. The thin circular MoS2 nanomembrane with an approximate 8-nm thickness was transferred onto the endface of a ferrule with an inner diameter of 125 μm, which created a low finesse F-P interferometer with a cavity length of 39.92 μm. The effects of temperature and viscous air damping on resonance behavior of the resonator were investigated in the range of −10–80 °C. Along with the optomechanical behavior of the resonator in air, the measured resonance frequencies ranged from 36 kHz to 73 kHz with an extremely low inflection point at 20 °C, which conformed reasonably to those solved by previously obtained thermal expansion coefficients of MoS2. Further, a maximum quality (Q) factor of 1.35 for the resonator was observed at 0 °C due to viscous dissipation, in relation to the lower Knudsen number of 0.0025~0.0034 in the tested temperature range. Moreover, measurements of Q factor revealed little dependence of Q on resonance frequency and temperature. These measurements shed light on the mechanisms behind viscous air damping in MoS2, graphene, and other 2D resonators. PMID:28335290

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scherwitzl, Boris; Lassnig, Roman; Truger, Magdalena

The evaporation of quinacridone from a stainless steel Knudsen cell leads to the partial decomposition of this molecule in the cell, due to its comparably high sublimation temperature. At least one additional type of molecules, namely indigo, could be detected in the effusion flux. Thermal desorption spectroscopy and atomic force microscopy have been used to study the co-deposition of these molecules on sputter-cleaned and carbon-covered silicon dioxide surfaces. Desorption of indigo appears at temperatures of about 400 K, while quinacridone desorbs at around 510 K. For quinacridone, a desorption energy of 2.1 eV and a frequency factor for desorption ofmore » 1 × 10{sup 19} s{sup −1} were calculated, which in this magnitude is typical for large organic molecules. A fraction of the adsorbed quinacridone molecules (∼5%) decomposes during heating, nearly independent of the adsorbed amount, resulting in a surface composed of small carbon islands. The sticking coefficients of indigo and quinacridone were found to be close to unity on a carbon covered SiO{sub 2} surface but significantly smaller on a sputter-cleaned substrate. The reason for the latter can be attributed to insufficient energy dissipation for unfavorably oriented impinging molecules. However, due to adsorption via a hot-precursor state, the sticking probability is increased on the surface covered with carbon islands, which act as accommodation centers.« less