An experimental study of laminar film condensation with Stefan number greater than unity

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

Mahajan, R.L.; Dickinson, D.A.; Chu, T.Y.

1990-01-01

Experimental laminar condensation heat transfer data is reported for fluids with Stefan number up to 3.5. The fluid is a member of a family of fluorinated fluids developed in the last decade which have been extensively used in the electronics industry for soldering, cooling, and testing applications. Experiments were performed by suddenly immersing cold copper spheres in the saturated vapor of this fluid, and heat transfer rates were calculated using the quasi-steady temperature response of the spheres. In these experiments, the difference between saturation and wall temperature varied from 0.5{degree}C to 190{degree}C. Over this range of temperature difference, the condensatemore » properties vary significantly. For example, viscosity of the condense varies by a factor of over 50. Corrections for the temperature dependent properties of the condensate therefore were incorporated in calculating the Nusselt number based on the average heat transfer coefficient. The results are discussed in light of past experimental data theory for Stefan number less than 1. To the knowledge of the authors, this is the first reported study of condensation heat transfer for Stefan number greater that unity. 24 refs., 7 figs., 2 tabs.« less

Analytical Approach in DeCoM

NASA Technical Reports Server (NTRS)

Patel, Deepak

2011-01-01

There are many papers on describing a LHP as an overall system, but few detail on the condenser section of a loop heat pipe. The DeCoM (Deepak Condenser Model) method utilizes user set initial parameters in-order to simulate a condenser by calculating the interactions between the fluid and the wall. Equations are derived for two sections of the condenser: a two-phase section and a subcooled (liquid) section. All Equations are based upon the conservation of energy theory, from which fluid temperature, and fluid quality values are solved. In order to solve for the heat transfer value, between fluid and the wall in two phase section, the Lockhart-Martinelli correlation method was implemented as a solution approach. For Liquid phase, the Reynolds number was used in-order to differentiate the flow state, from either turbulent or laminar, and Nusselt number was used to solve for the film coefficient. To represent these calculations for both sections a flow chart is presented in order to display the execution process of DeCoM. The benefit of DeCoM is that it is capable of performing preliminary analysis without requiring a license and without much of users knowledge on condensers.

Mathematical simulation of the process of condensing natural gas

NASA Astrophysics Data System (ADS)

Tastandieva, G. M.

2015-01-01

Presents a two-dimensional unsteady model of heat transfer in terms of condensation of natural gas at low temperatures. Performed calculations of the process heat and mass transfer of liquefied natural gas (LNG) storage tanks of cylindrical shape. The influence of model parameters on the nature of heat transfer. Defined temperature regimes eliminate evaporation by cooling liquefied natural gas. The obtained dependence of the mass flow rate of vapor condensation gas temperature. Identified the possibility of regulating the process of "cooling down" liquefied natural gas in terms of its partial evaporation with low cost energy.

Comparison of power-plant condenser cooling-water fouling rates for spirally-indented and plain tubes

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

Rabas, T.; Panchal, C.; Sasscer, D.

1991-01-01

This paper presents the fouling rates for twelve TVA power-plant condensers, nine of which were retubed with an enhanced tube. The overall heat-transfer coefficients were calculated from logged field data taken over periods from one to ten years. The fouling resistances were calculated with the separate-resistance method and with a bundle correction factor to the condensing, single-tube Nusselt prediction. The fouling rates with the enhanced tubes ranged from about the same as to about twice that of the plain tubes. The thermal performance with the enhanced tubes remained superior to that obtained with plain-tubes for more than a year withoutmore » cleaning. After one year of operation, the enhanced-tube fouling resistance values were less than the minimum value of the TEMA Standards and the plain-tube fouling resistance values were always less than one half of this value. After shutdown cleaning, the thermal performance values for both tubes were restored to essentially the new, clean levels. 28 refs., 9 figs., 2 tabs.« less

Clouds in GEOS-5

NASA Technical Reports Server (NTRS)

Bacmeister, Julio; Rienecker, Michele; Suarez, Max; Norris, Peter

2007-01-01

The GEOS-5 atmospheric model is being developed as a weather-and-climate capable model. It must perform well in assimilation mode as well as in weather and climate simulations and forecasts and in coupled chemistry-climate simulations. In developing GEOS-5, attention has focused on the representation of moist processes. The moist physics package uses a single phase prognostic condensate and a prognostic cloud fraction. Two separate cloud types are distinguished by their source: "anvil" cloud originates in detraining convection, and large-scale cloud originates in a PDF-based condensation calculation. Ice and liquid phases for each cloud type are considered. Once created, condensate and fraction from the anvil and statistical cloud types experience the same loss processes: evaporation of condensate and fraction, auto-conversion of liquid or mixed phase condensate, sedimentation of frozen condensate, and accretion of condensate by falling precipitation. The convective parameterization scheme is the Relaxed Arakawa-Schubert, or RAS, scheme. Satellite data are used to evaluate the performance of the moist physics packages and help in their tuning. In addition, analysis of and comparisons to cloud-resolving models such as the Goddard Cumulus Ensemble model are used to help improve the PDFs used in the moist physics. The presentation will show some of our evaluations including precipitation diagnostics.

Condensation of refractory metals in asymptotic giant branch and other stellar environments

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

Schwander, D.; Berg, T.; Schönhense, G.

2014-09-20

The condensation of material from a gas of solar composition has been extensively studied, but less so condensation in the environment of evolved stars, which has been mainly restricted to major compounds and some specific element groups such as the Rare Earth elements. Also of interest, however, are refractory metals like Mo, Ru, Os, W, Ir, and Pt, which may condense to form refractory metal nuggets (RMNs) like the ones that have been found in association with presolar graphite. We have performed calculations describing the condensation of these elements in the outflows of s-process enriched AGB stars as well asmore » from gas enriched in r-process products. While in carbon-rich environments (C > O), the formation of carbides is expected to consume W, Mo, and V (Lodders and Fegley), the condensation sequence for the other refractory metals under these conditions does not significantly differ from the case of a cooling gas of solar composition. The composition in detail, however, is significantly different due to the completely different source composition. Condensation from an r-process enriched source differs less from the solar case. Elemental abundance ratios of the refractory metals can serve as a guide for finding candidate presolar grains among the RMNs in primitive meteorites—most of which have a solar system origin—for confirmation by isotopic analysis. We apply our calculations to the case of the four RMNs found by Croat et al., which may very well be presolar.« less

The Momentum Distribution of Liquid ⁴He

DOE PAGES

Prisk, T. R.; Bryan, M. S.; Sokol, P. E.; ...

2017-07-24

We report a high-resolution neutron Compton scattering study of liquid ⁴He under milli-Kelvin temperature control. To interpret the scattering data, we performed Quantum Monte Carlo calculations of the atomic momentum distribution and final state effects for the conditions of temperature and density considered in the experiment. There is excellent agreement between the observed scattering and ab initio calculations of its lineshape at all temperatures. We also used model fit functions to obtain from the scattering data empirical estimates of the average atomic kinetic energy and Bose condensate fraction. These quantities are also in excellent agreement with ab initio calculations. Wemore » conclude that contemporary Quantum Monte Carlo methods can furnish accurate predictions for the properties of Bose liquids, including the condensate fraction, close to the superfluid transition temperature.« less

The influence of surface-active agents in gas mixture on the intensity of jet condensation

NASA Astrophysics Data System (ADS)

Yezhov, YV; Okhotin, VS

2017-11-01

The report presents: the methodology of calculation of contact condensation of steam from the steam-gas mixture into the stream of water, taking into account: the mass flow of steam through the boundary phase, particularly the change in turbulent transport properties near the interface and their connection to the interface perturbations due to the surface tension of the mixture; the method of calculation of the surface tension at the interface water - a mixture of fluorocarbon vapor and water, based on the previously established analytical methods we calculate the surface tension for simple one - component liquid-vapor systems. The obtained analytical relation to calculate the surface tension of the mixture is a function of temperature and volume concentration of the fluorocarbon gas in the mixture and is true for all sizes of gas molecules. On the newly created experimental stand is made verification of experimental studies to determine the surface tension of pure substances: water, steam, C3F8 pair C3F8, produced the first experimental data on surface tension at the water - a mixture of water vapor and fluorocarbon C3F8. The obtained experimental data allow us to refine the values of the two constants used in the calculated model of the surface tension of the mixture. Experimental study of jet condensation was carried out with the flow in the zone of condensation of different gases. The condensation process was monitored by measurement of consumption of water flowing from the nozzle, and the formed condensate. When submitting C3F8, there was a noticeable, intensification condensation process compared with the condensation of pure water vapor. The calculation results are in satisfactory agreement with the experimental data on surface tension of the mixture and steam condensation from steam-gas mixture. Analysis of calculation results shows that the presence of surfactants in the condensation zone affects the partial vapor pressure on the interfacial surface, and the thermal conductivity of the liquid jet. The first circumstance leads to deterioration of the condensation process, the second to the intensification of this process. There is obviously an optimum value of concentration of the additive surfactants to the vapour when the condensation process is maximum. According to the developed design methodology contact condensation can evaluate these optimum conditions, their practical effect in the field study.

Cosmological perturbations through a non-singular ghost-condensate/Galileon bounce

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

Battarra, Lorenzo; Koehn, Michael; Lehners, Jean-Luc

2014-07-01

We study the propagation of super-horizon cosmological perturbations in a non-singular bounce spacetime. The model we consider combines a ghost condensate with a Galileon term in order to induce a ghost-free bounce. Our calculation is performed in harmonic gauge, which ensures that the linearized equations of motion remain well-defined and non-singular throughout. We find that, despite the fact that near the bounce the speed of sound becomes imaginary, super-horizon curvature perturbations remain essentially constant across the bounce. In fact, we show that there is a time close to the bounce where curvature perturbations of all wavelengths are required to bemore » momentarily exactly constant. We relate our calculations to those performed in other gauges, and comment on the relation to previous results in the literature.« less

CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989

NASA Technical Reports Server (NTRS)

Mcbride, B.

1994-01-01

Scientists and engineers need chemical equilibrium composition data to calculate the theoretical thermodynamic properties of a chemical system. This information is essential in the design and analysis of equipment such as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical processing equipment. The substantial amount of numerical computation required to obtain equilibrium compositions and transport properties for complex chemical systems led scientists at NASA's Lewis Research Center to develop CET89, a program designed to calculate the thermodynamic and transport properties of these systems. CET89 is a general program which will calculate chemical equilibrium compositions and mixture properties for any chemical system with available thermodynamic data. Generally, mixtures may include condensed and gaseous products. CET89 performs the following operations: it 1) obtains chemical equilibrium compositions for assigned thermodynamic states, 2) calculates dilute-gas transport properties of complex chemical mixtures, 3) obtains Chapman-Jouguet detonation properties for gaseous species, 4) calculates incident and reflected shock properties in terms of assigned velocities, and 5) calculates theoretical rocket performance for both equilibrium and frozen compositions during expansion. The rocket performance function allows the option of assuming either a finite area or an infinite area combustor. CET89 accommodates problems involving up to 24 reactants, 20 elements, and 600 products (400 of which may be condensed). The program includes a library of thermodynamic and transport properties in the form of least squares coefficients for possible reaction products. It includes thermodynamic data for over 1300 gaseous and condensed species and transport data for 151 gases. The subroutines UTHERM and UTRAN convert thermodynamic and transport data to unformatted form for faster processing. The program conforms to the FORTRAN 77 standard, except for some input in NAMELIST format. It requires about 423 KB memory, and is designed to be used on mainframe, workstation, and mini computers. Due to its memory requirements, this program does not readily lend itself to implementation on MS-DOS based machines.

Wireless Sensor Network-Based Greenhouse Environment Monitoring and Automatic Control System for Dew Condensation Prevention

PubMed Central

Park, Dae-Heon; Park, Jang-Woo

2011-01-01

Dew condensation on the leaf surface of greenhouse crops can promote diseases caused by fungus and bacteria, affecting the growth of the crops. In this paper, we present a WSN (Wireless Sensor Network)-based automatic monitoring system to prevent dew condensation in a greenhouse environment. The system is composed of sensor nodes for collecting data, base nodes for processing collected data, relay nodes for driving devices for adjusting the environment inside greenhouse and an environment server for data storage and processing. Using the Barenbrug formula for calculating the dew point on the leaves, this system is realized to prevent dew condensation phenomena on the crop’s surface acting as an important element for prevention of diseases infections. We also constructed a physical model resembling the typical greenhouse in order to verify the performance of our system with regard to dew condensation control. PMID:22163813

Wireless sensor network-based greenhouse environment monitoring and automatic control system for dew condensation prevention.

PubMed

Park, Dae-Heon; Park, Jang-Woo

2011-01-01

Dew condensation on the leaf surface of greenhouse crops can promote diseases caused by fungus and bacteria, affecting the growth of the crops. In this paper, we present a WSN (Wireless Sensor Network)-based automatic monitoring system to prevent dew condensation in a greenhouse environment. The system is composed of sensor nodes for collecting data, base nodes for processing collected data, relay nodes for driving devices for adjusting the environment inside greenhouse and an environment server for data storage and processing. Using the Barenbrug formula for calculating the dew point on the leaves, this system is realized to prevent dew condensation phenomena on the crop's surface acting as an important element for prevention of diseases infections. We also constructed a physical model resembling the typical greenhouse in order to verify the performance of our system with regard to dew condensation control.

Deepak Condenser Model (DeCoM)

NASA Technical Reports Server (NTRS)

Patel, Deepak

2013-01-01

Development of the DeCoM comes from the requirement of analyzing the performance of a condenser. A component of a loop heat pipe (LHP), the condenser, is interfaced with the radiator in order to reject heat. DeCoM simulates the condenser, with certain input parameters. Systems Improved Numerical Differencing Analyzer (SINDA), a thermal analysis software, calculates the adjoining component temperatures, based on the DeCoM parameters and interface temperatures to the radiator. Application of DeCoM is (at the time of this reporting) restricted to small-scale analysis, without the need for in-depth LHP component integrations. To efficiently develop a model to simulate the LHP condenser, DeCoM was developed to meet this purpose with least complexity. DeCoM is a single-condenser, single-pass simulator for analyzing its behavior. The analysis is done based on the interactions between condenser fluid, the wall, and the interface between the wall and the radiator. DeCoM is based on conservation of energy, two-phase equations, and flow equations. For two-phase, the Lockhart- Martinelli correlation has been used in order to calculate the convection value between fluid and wall. Software such as SINDA (for thermal analysis analysis) and Thermal Desktop (for modeling) are required. DeCoM also includes the ability to implement a condenser into a thermal model with the capability of understanding the code process and being edited to user-specific needs. DeCoM requires no license, and is an open-source code. Advantages to DeCoM include time dependency, reliability, and the ability for the user to view the code process and edit to their needs.

Supporting Calculations For Submerged Bed Scrubber Condensate Disposal Preconceptual Study

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

Pajunen, A. J.; Tedeschi, A. R.

This document provides supporting calculations for the preparation of the Submerged Bed Scrubber Condensate Disposal Preconceptual Study report The supporting calculations include equipment sizing, Hazard Category determination, and LAW Melter Decontamination Factor Adjustments.

Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations

DOE PAGES

Yang, Huan; Goudeli, Eirini; Hogan, Christopher J.

2018-04-24

In gas phase synthesis systems, clusters form and grow via condensation, in which a monomer binds to an existing cluster. While a hard sphere equation is frequently used to predict the condensation rate coefficient, this equation neglects the influences of potential interactions and cluster internal energy on the condensation process. Here, we present a collision rate theory-Molecular Dynamics simulation approach to calculate condensation probabilities and condensation rate coefficients; we use this approach to examine atomic condensation onto 6-56 atom Au and Mg clusters. The probability of condensation depends upon the initial relative velocity ( v) between atom and cluster andmore » the initial impact parameter ( b). In all cases there is a well-defined region of b-v space where condensation is highly probable, and outside of which the condensation probability drops to zero. For Au clusters with more than 10 atoms, we find that at gas temperatures in the 300-1200 K range, the condensation rate coefficient exceeds the hard sphere rate coefficient by a factor of 1.5-2.0. Conversely, for Au clusters with 10 or fewer atoms, and for 14 atom and 28 atom Mg clusters, as cluster equilibration temperature increases the condensation rate coefficient drops to values below the hard sphere rate coefficient. Calculations also yield the self-dissociation rate coefficient, which is found to vary considerably with gas temperature. Finally, calculations results reveal that grazing (high b) atom-cluster collisions at elevated velocity (> 1000 m s -1) can result in the colliding atom rebounding (bounce) from the cluster surface or binding while another atom dissociates (replacement). In conclusion, the presented method can be applied in developing rate equations to predict material formation and growth rates in vapor phase systems.« less

Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations.

PubMed

Yang, Huan; Goudeli, Eirini; Hogan, Christopher J

2018-04-28

In gas phase synthesis systems, clusters form and grow via condensation, in which a monomer binds to an existing cluster. While a hard-sphere equation is frequently used to predict the condensation rate coefficient, this equation neglects the influences of potential interactions and cluster internal energy on the condensation process. Here, we present a collision rate theory-molecular dynamics simulation approach to calculate condensation probabilities and condensation rate coefficients. We use this approach to examine atomic condensation onto 6-56-atom Au and Mg clusters. The probability of condensation depends upon the initial relative velocity (v) between atom and cluster and the initial impact parameter (b). In all cases, there is a well-defined region of b-v space where condensation is highly probable, and outside of which the condensation probability drops to zero. For Au clusters with more than 10 atoms, we find that at gas temperatures in the 300-1200 K range, the condensation rate coefficient exceeds the hard-sphere rate coefficient by a factor of 1.5-2.0. Conversely, for Au clusters with 10 or fewer atoms and for 14- and 28-atom Mg clusters, as cluster equilibration temperature increases, the condensation rate coefficient drops to values below the hard-sphere rate coefficient. Calculations also yield the self-dissociation rate coefficient, which is found to vary considerably with gas temperature. Finally, calculations results reveal that grazing (high b) atom-cluster collisions at elevated velocity (>1000 m s -1 ) can result in the colliding atom rebounding (bounce) from the cluster surface or binding while another atom dissociates (replacement). The presented method can be applied in developing rate equations to predict material formation and growth rates in vapor phase systems.

Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations

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

Yang, Huan; Goudeli, Eirini; Hogan, Christopher J.

In gas phase synthesis systems, clusters form and grow via condensation, in which a monomer binds to an existing cluster. While a hard sphere equation is frequently used to predict the condensation rate coefficient, this equation neglects the influences of potential interactions and cluster internal energy on the condensation process. Here, we present a collision rate theory-Molecular Dynamics simulation approach to calculate condensation probabilities and condensation rate coefficients; we use this approach to examine atomic condensation onto 6-56 atom Au and Mg clusters. The probability of condensation depends upon the initial relative velocity ( v) between atom and cluster andmore » the initial impact parameter ( b). In all cases there is a well-defined region of b-v space where condensation is highly probable, and outside of which the condensation probability drops to zero. For Au clusters with more than 10 atoms, we find that at gas temperatures in the 300-1200 K range, the condensation rate coefficient exceeds the hard sphere rate coefficient by a factor of 1.5-2.0. Conversely, for Au clusters with 10 or fewer atoms, and for 14 atom and 28 atom Mg clusters, as cluster equilibration temperature increases the condensation rate coefficient drops to values below the hard sphere rate coefficient. Calculations also yield the self-dissociation rate coefficient, which is found to vary considerably with gas temperature. Finally, calculations results reveal that grazing (high b) atom-cluster collisions at elevated velocity (> 1000 m s -1) can result in the colliding atom rebounding (bounce) from the cluster surface or binding while another atom dissociates (replacement). In conclusion, the presented method can be applied in developing rate equations to predict material formation and growth rates in vapor phase systems.« less

Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations

NASA Astrophysics Data System (ADS)

Yang, Huan; Goudeli, Eirini; Hogan, Christopher J.

2018-04-01

In gas phase synthesis systems, clusters form and grow via condensation, in which a monomer binds to an existing cluster. While a hard-sphere equation is frequently used to predict the condensation rate coefficient, this equation neglects the influences of potential interactions and cluster internal energy on the condensation process. Here, we present a collision rate theory-molecular dynamics simulation approach to calculate condensation probabilities and condensation rate coefficients. We use this approach to examine atomic condensation onto 6-56-atom Au and Mg clusters. The probability of condensation depends upon the initial relative velocity (v) between atom and cluster and the initial impact parameter (b). In all cases, there is a well-defined region of b-v space where condensation is highly probable, and outside of which the condensation probability drops to zero. For Au clusters with more than 10 atoms, we find that at gas temperatures in the 300-1200 K range, the condensation rate coefficient exceeds the hard-sphere rate coefficient by a factor of 1.5-2.0. Conversely, for Au clusters with 10 or fewer atoms and for 14- and 28-atom Mg clusters, as cluster equilibration temperature increases, the condensation rate coefficient drops to values below the hard-sphere rate coefficient. Calculations also yield the self-dissociation rate coefficient, which is found to vary considerably with gas temperature. Finally, calculations results reveal that grazing (high b) atom-cluster collisions at elevated velocity (>1000 m s-1) can result in the colliding atom rebounding (bounce) from the cluster surface or binding while another atom dissociates (replacement). The presented method can be applied in developing rate equations to predict material formation and growth rates in vapor phase systems.

Calculated performance of a mercury-compressor-jet powered airplane using a nuclear reactor as an energy source

NASA Technical Reports Server (NTRS)

Doyle, R B

1951-01-01

An analysis was made at a flight Mach number of 1.5, an altitude of 45,000 feet, a turbine-inlet temperature of 1460 degrees R, of a mercury compressor-jet powered airplane using a nuclear reactor as an energy source. The calculations covered a range of turbine-exhaust and turbine-inlet pressures and condenser-inlet Mach numbers. For a turbine--inlet pressure of 40 pounds per square inch absolute, a turbine-exhaust pressure of 14 pounds per square inch absolute, and a condenser-inlet Mach number of 0.23 the calculated airplane gross weight required to carry a 20,000 pound payload was 322000 pounds and the reactor heat release per unit volume was 8.9 kilowatts per cubic inch. These do not represent optimum operating conditions.

PARAMETER MONITORING FOR REAL-TIME ELECTROSTATIC PRECIPITATOR TROUBLESHOOTING

EPA Science Inventory

The paper discusses detailed numerical calculations of particle charge and extinction coefficient performed using current models. The results suggest that information about rapping reentrainment, back corona, and, possibly, sulfuric acid condensation can be gained from simultaneo...

Gravitational self-interactions of a degenerate quantum scalar field

NASA Astrophysics Data System (ADS)

Chakrabarty, Sankha S.; Enomoto, Seishi; Han, Yaqi; Sikivie, Pierre; Todarello, Elisa M.

2018-02-01

We develop a formalism to help calculate in quantum field theory the departures from the description of a system by classical field equations. We apply the formalism to a homogeneous condensate with attractive contact interactions and to a homogeneous self-gravitating condensate in critical expansion. In their classical descriptions, such condensates persist forever. We show that in their quantum description, parametric resonance causes quanta to jump in pairs out of the condensate into all modes with wave vector less than some critical value. We calculate, in each case, the time scale over which the homogeneous condensate is depleted and after which a classical description is invalid. We argue that the duration of classicality of inhomogeneous condensates is shorter than that of homogeneous condensates.

Use of condensed videos in a flipped classroom for pharmaceutical calculations: Student perceptions and academic performance.

PubMed

Gloudeman, Mark W; Shah-Manek, Bijal; Wong, Terri H; Vo, Christina; Ip, Eric J

2018-02-01

The flipped teaching method was implemented through a series of multiple condensed videos for pharmaceutical calculations with student perceptions and academic performance assessed post-intervention. Student perceptions from the intervention group were assessed via an online survey. Pharmaceutical exam scores of the intervention group were compared to the control group. The intervention group spent a greater amount of class time on active learning. The majority of students (68.2%) thought that the flipped teaching method was more effective to learn pharmaceutical calculations than the traditional method. The mean exam scores of the intervention group were not significantly different than the control group (80.5 ± 15.8% vs 77.8 ± 16.8%; p = 0.253). Previous studies on the flipped teaching method have shown mixed results in regards to student perceptions and exam scores, where either student satisfaction increased or exam scores improved, but rarely both. The flipped teaching method was rated favorably by a majority of students. The flipped teaching method resulted in similar outcomes in pharmaceutical calculations exam scores, and it appears to be an acceptable and effective option to deliver pharmaceutical calculations in a Doctor of Pharmacy program. Copyright © 2017 Elsevier Inc. All rights reserved.

Optical tweezers reveal force plateau and internal friction in PEG-induced DNA condensation.

PubMed

Ojala, Heikki; Ziedaite, Gabija; Wallin, Anders E; Bamford, Dennis H; Hæggström, Edward

2014-03-01

The simplified artificial environments in which highly complex biological systems are studied do not represent the crowded, dense, salty, and dynamic environment inside the living cell. Consequently, it is important to investigate the effect of crowding agents on DNA. We used a dual-trap optical tweezers instrument to perform force spectroscopy experiments at pull speeds ranging from 0.3 to 270 μm/s on single dsDNA molecules in the presence of poly(ethylene glycol) (PEG) and monovalent salt. PEG of sizes 1,500 and 4,000 Da condensed DNA, and force-extension data contained a force plateau at approximately 1 pN. The level of the force plateau increased with increasing pull speed. During slow pulling the dissipated work increased linearly with pull speed. The calculated friction coefficient did not depend on amount of DNA incorporated in the condensate, indicating internal friction is independent of the condensate size. PEG300 had no effect on the dsDNA force-extension curve. The force plateau implies that condensation induced by crowding agents resembles condensation induced by multivalent cations.

40 CFR 63.459 - Alternative standards.

Code of Federal Regulations, 2012 CFR

2012-07-01

... wastewater treatment plant anaerobic basins for biodegradation. (iv) The pulping process condensates shall be... per ton of ODP by biodegradation in the wastewater treatment plant. (ii) The following calculation shall be performed to determine the HAP destruction efficiency by biodegradation in the wastewater...

40 CFR 63.459 - Alternative standards.

Code of Federal Regulations, 2014 CFR

2014-07-01

... wastewater treatment plant anaerobic basins for biodegradation. (iv) The pulping process condensates shall be... per ton of ODP by biodegradation in the wastewater treatment plant. (ii) The following calculation shall be performed to determine the HAP destruction efficiency by biodegradation in the wastewater...

40 CFR 63.459 - Alternative standards.

Code of Federal Regulations, 2013 CFR

2013-07-01

... wastewater treatment plant anaerobic basins for biodegradation. (iv) The pulping process condensates shall be... per ton of ODP by biodegradation in the wastewater treatment plant. (ii) The following calculation shall be performed to determine the HAP destruction efficiency by biodegradation in the wastewater...

40 CFR 63.459 - Alternative standards.

Code of Federal Regulations, 2010 CFR

2010-07-01

... wastewater treatment plant anaerobic basins for biodegradation. (iv) The pulping process condensates shall be... per ton of ODP by biodegradation in the wastewater treatment plant. (ii) The following calculation shall be performed to determine the HAP destruction efficiency by biodegradation in the wastewater...

40 CFR 63.459 - Alternative standards.

Code of Federal Regulations, 2011 CFR

2011-07-01

... wastewater treatment plant anaerobic basins for biodegradation. (iv) The pulping process condensates shall be... per ton of ODP by biodegradation in the wastewater treatment plant. (ii) The following calculation shall be performed to determine the HAP destruction efficiency by biodegradation in the wastewater...

Calculations of condensation and chemistry in an aircraft contrail

NASA Technical Reports Server (NTRS)

Miake-Lye, Richard C.; Brown, R. C.; Anderson, M. R.; Kolb, C. E.

1994-01-01

The flow field, chemistry, and condensation nucleation behind a transport airplane are calculated in two regimes using two separate reacting flow codes: first the axisymmetric plume, then the three dimensional vortex wake. The included chemical kinetics equations follow the evolution of the NO(y) and SO(x) chemical families. In the plume regime, the chemistry is coupled with the binary homogeneous formation of sulfate condensation nuclei, where the calculated nucleation rates predict that copious quantities of H2SO4/H2O nuclei are produced in subnanometer sizes. These sulfate aerosols could play a major role in the subsequent condensation of water vapor and the formation of contrails under favorable atmospheric conditions.

Increased water retention in polymer electrolyte membranes at elevated temperatures assisted by capillary condensation.

PubMed

Park, Moon Jeong; Downing, Kenneth H; Jackson, Andrew; Gomez, Enrique D; Minor, Andrew M; Cookson, David; Weber, Adam Z; Balsara, Nitash P

2007-11-01

We establish a new systematic methodology for controlling the water retention of polymer electrolyte membranes. Block copolymer membranes comprising hydrophilic phases with widths ranging from 2 to 5 nm become wetter as the temperature of the surrounding air is increased at constant relative humidity. The widths of the moist hydrophilic phases were measured by cryogenic electron microscopy experiments performed on humid membranes. Simple calculations suggest that capillary condensation is important at these length scales. The correlation between moisture content and proton conductivity of the membranes is demonstrated.

Efficacy of testicular sperm chromatin condensation assay using aniline blue-eosin staining in the IVF-ET cycle.

PubMed

Park, Yong-Seog; Kim, Myo Kyung; Lee, Sun-Hee; Cho, Jae Won; Song, In Ok; Seo, Ju Tae

2011-09-01

This study was performed to evaluate testicular sperm chromatin condensation using aniline blue-eosin (AB-E) staining and its effects on IVF-ET. Chromatin condensation was analyzed using AB-E staining in 27 cases of testicular sperm extraction. There were 19 cases of obstructive azoospermia (OA) and 8 cases of non-obstructive azoospermia (NOA) in IVF-ET. Mature sperm heads were stained red-pink whereas immature sperm heads were stained dark blue. The percentage of sperm chromatin condensation was calculated from the ratio of the number of red-pink sperm to the total number of sperm analyzed. The overall percentages of chromatin condensation in OA and NOA were 31.1±11.2% and 26.3±14.4%, respectively. The fertilization rate was significant higher in OA than NOA (p<0.05); however, the rates of good embryos and clinical pregnancy did not show statistical differences. In OA and NOA, statistical differences were not observed in the rate of chromatin condensation, fertilization, good embryos, and clinical pregnancy between the pregnant group and non-pregnant group. Chromatin condensation is less stable than OA and showed a low fertilization rate in NOA. While there were no significant differences in chromatin condensation results between NOA and OA, we propose that a pattern of decreased chromatin condensation in NOA is one of the factors of low fertilization results requiring further study.

Experimental and theoretical study of horizontal tube bundle for passive condensation heat transfer

NASA Astrophysics Data System (ADS)

Song, Yong Jae

The research in this thesis supports the design of a horizontal tube bundle condenser for passive heat removal system in nuclear reactors. From nuclear power plant containment, condensation of steam from a steam/noncondensable gas occurs on the primary side and boiling occurs on the secondary side; thus, heat exchanger modeling is a challenge. For the purpose of this experimental study, a six-tube bundle is used, where the outer diameter, inner diameter, and length of each stainless steel tube measures 38.10mm (1.5 inches), 31.75mm (1.25 inches) and 3.96m (156 inches), respectively. The pitch to diameter ratio was determined based on information gathered from literature surveys, and the dimensions were determined from calculations and experimental data. The objective of the calculations, correlations, and experimental data was to obtain complete condensation within the tube bundle. Experimental conditions for the tests in this thesis work were determined from Design Basis Accident (DBA). The applications are for an actual Passive Containment Cooling Systems (PCCS) condenser under postulated accident conditions in future light water reactors. In this research, steady state and transient experiments were performed to investigate the effect of noncondensable gas on steam condensation inside and boiling outside a tube bundle heat exchanger. The condenser tube inlet steam mass flow rate varied from 18.0 to 48.0 g/s, the inlet pressure varied from 100 kPa to 400 kPa, and the inlet noncondensable gas mass fraction varied from 1% to 10%. The effect of the noncondensable gas was examined by comparing the tube centerline temperatures for various inlet and system conditions. As a result, it was determined that the noncondensable gas accumulated near the condensate film causing a decrease of mass and energy transfer. In addition, the effect of the inlet steam flow rate gas was investigated by comparing the tube centerline temperatures, the conclusion being that, as the inlet steam mass flow rate increased, the length required for complete condensation also increased. Comparison of tube centerline temperature profiles was also used to examine the effect of inlet pressure on the heat transfer performance. From this assessment, it was determined that as the inlet pressure increased, the length required for complete condensation decreased. The investigation of tube bundle effects was conducted by comparing the condensate flow rates. The experimental results showed that the upper tubes in the bundle had better heat transfer performance than the lower tubes. In regard to modeling of the heat exchanger in this study, for the primary side, an empirical correlation was developed herein to provide Nusselt numbers for condensation heat transfer in horizontal tubes with noncondensable gases. Nusselt numbers were correlated as: Nu = 106.31·Re m0.147·W a-0.843. The empirical model for condensation heat transfer coefficients and the secondary-side model were integrated within a Matlab program to provide an analysis tool for horizontal tube bundle condenser heat exchangers. Also on the secondary side, two phase heat transfer coefficients were modeled considering both convective boiling and nucleate boiling as: hTP = 10.03·exp(-2.28·alpha)· hCV + 0.076·exp[3.73x10-6·(Re f-1.6x105)]·hNB.

Variational calculation of ground-state energy of iron atoms and condensed matter in strong magnetic fields. [at neutron star surfaces

NASA Technical Reports Server (NTRS)

Flowers, E. G.; Ruderman, M. A.; Lee, J.-F.; Sutherland, P. G.; Hillebrandt, W.; Mueller, E.

1977-01-01

Variational calculations of the binding energies of iron atoms and condensed matter in strong magnetic fields (greater than 10 to the 12th gauss). These calculations include the electron exchange energy. The cohesive energy of the condensed matter, which is the difference between these two binding energies, is of interest in pulsar theories and in the description of the surfaces of neutron stars. It is found that the cohesive energy ranges from 2.6 keV to 8.0 keV.

Calculation of hydrocarbon-in-place in gas and gas-condensate reservoirs - Carbon dioxide sequestration

USGS Publications Warehouse

Verma, Mahendra K.

2012-01-01

The Energy Independence and Security Act of 2007 (Public Law 110-140) authorized the U.S. Geological Survey (USGS) to conduct a national assessment of geologic storage resources for carbon dioxide (CO2), requiring estimation of hydrocarbon-in-place volumes and formation volume factors for all the oil, gas, and gas-condensate reservoirs within the U.S. sedimentary basins. The procedures to calculate in-place volumes for oil and gas reservoirs have already been presented by Verma and Bird (2005) to help with the USGS assessment of the undiscovered resources in the National Petroleum Reserve, Alaska, but there is no straightforward procedure available for calculating in-place volumes for gas-condensate reservoirs for the carbon sequestration project. The objective of the present study is to propose a simple procedure for calculating the hydrocarbon-in-place volume of a condensate reservoir to help estimate the hydrocarbon pore volume for potential CO2 sequestration.

Analysis of PANDA Passive Containment Cooling Steady-State Tests with the Spectra Code

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

Stempniewicz, Marek M

2000-07-15

Results of post test simulation of the PANDA passive containment cooling (PCC) steady-state tests (S-series tests), performed at the PANDA facility at the Paul Scherrer Institute, Switzerland, are presented. The simulation has been performed using the computer code SPECTRA, a thermal-hydraulic code, designed specifically for analyzing containment behavior of nuclear power plants.Results of the present calculations are compared to the measurement data as well as the results obtained earlier with the codes MELCOR, TRAC-BF1, and TRACG. The calculated PCC efficiencies are somewhat lower than the measured values. Similar underestimation of PCC efficiencies had been obtained in the past, with themore » other computer codes. To explain this difference, it is postulated that condensate coming into the tubes forms a stream of liquid in one or two tubes, leaving most of the tubes unaffected. The condensate entering the water box is assumed to fall down in the form of droplets. With these assumptions, the results calculated with SPECTRA are close to the experimental data.It is concluded that the SPECTRA code is a suitable tool for analyzing containments of advanced reactors, equipped with passive containment cooling systems.« less

Gas adsorption and capillary condensation in nanoporous alumina films.

PubMed

Casanova, Fèlix; Chiang, Casey E; Li, Chang-Peng; Roshchin, Igor V; Ruminski, Anne M; Sailor, Michael J; Schuller, Ivan K

2008-08-06

Gas adsorption and capillary condensation of organic vapors are studied by optical interferometry, using anodized nanoporous alumina films with controlled geometry (cylindrical pores with diameters in the range of 10-60 nm). The optical response of the film is optimized with respect to the geometric parameters of the pores, for potential performance as a gas sensor device. The average thickness of the adsorbed film at low relative pressures is not affected by the pore size. Capillary evaporation of the liquid from the nanopores occurs at the liquid-vapor equilibrium described by the classical Kelvin equation with a hemispherical meniscus. Due to the almost complete wetting, we can quantitatively describe the condensation for isopropanol using the Cohan model with a cylindrical meniscus in the Kelvin equation. This model describes the observed hysteresis and allows us to use the adsorption branch of the isotherm to calculate the pore size distribution of the sample in good agreement with independent structural measurements. The condensation for toluene lacks reproducibility due to incomplete surface wetting. This exemplifies the relevant role of the fluid-solid (van der Waals) interactions in the hysteretic behavior of capillary condensation.

Numerical studies of the effects of jet-induced mixing on liquid-vapor interface condensation

NASA Technical Reports Server (NTRS)

Lin, Chin-Shun

1989-01-01

Numerical solutions of jet-induced mixing in a partially full cryogenic tank are presented. An axisymmetric laminar jet is discharged from the central part of the tank bottom toward the liquid-vapor interface. Liquid is withdrawn at the same volume flow rate from the outer part of the tank. The jet is at a temperature lower than the interface, which is maintained at a certain saturation temperature. The interface is assumed to be flat and shear-free and the condensation-induced velocity is assumed to be negligibly small compared with radial interface velocity. Finite-difference method is used to solve the nondimensional form of steady state continuity, momentum, and energy equations. Calculations are conducted for jet Reynolds numbers ranging from 150 to 600 and Prandtl numbers ranging from 0.85 to 2.65. The effects of above stated parameters on the condensation Nusselt and Stanton numbers which characterize the steady-state interface condensation process are investigated. Detailed analysis to gain a better understanding of the fundamentals of fluid mixing and interface condensation is performed.

Affordable and accurate large-scale hybrid-functional calculations on GPU-accelerated supercomputers

NASA Astrophysics Data System (ADS)

Ratcliff, Laura E.; Degomme, A.; Flores-Livas, José A.; Goedecker, Stefan; Genovese, Luigi

2018-03-01

Performing high accuracy hybrid functional calculations for condensed matter systems containing a large number of atoms is at present computationally very demanding or even out of reach if high quality basis sets are used. We present a highly optimized multiple graphics processing unit implementation of the exact exchange operator which allows one to perform fast hybrid functional density-functional theory (DFT) calculations with systematic basis sets without additional approximations for up to a thousand atoms. With this method hybrid DFT calculations of high quality become accessible on state-of-the-art supercomputers within a time-to-solution that is of the same order of magnitude as traditional semilocal-GGA functionals. The method is implemented in a portable open-source library.

Influence of the ambient temperature on the cooling efficiency of the high performance cooling device with thermosiphon effect

NASA Astrophysics Data System (ADS)

Nemec, Patrik; Malcho, Milan

2018-06-01

This work deal with experimental measurement and calculation cooling efficiency of the cooling device working with a heat pipe technology. The referred device in the article is cooling device capable transfer high heat fluxes from electric elements to the surrounding. The work contain description, working principle and construction of cooling device. The main factor affected the dissipation of high heat flux from electronic elements through the cooling device to the surrounding is condenser construction, its capacity and option of heat removal. Experimental part describe the measuring method cooling efficiency of the cooling device depending on ambient temperature in range -20 to 40°C and at heat load of electronic components 750 W. Measured results are compared with results calculation based on physical phenomena of boiling, condensation and natural convection heat transfer.

Quick estimate of oil discovery from gas-condensate reservoirs

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

Sarem, A.M.

1966-10-24

A quick method of estimating the depletion performance of gas-condensate reservoirs is presented by graphical representations. The method is based on correlations reported in the literature and expresses recoverable liquid as function of gas reserves, producing gas-oil ratio, and initial and final reservoir pressures. The amount of recoverable liquid reserves (RLR) under depletion conditions, is estimated from an equation which is given. Where the liquid-reserves are in stock-tank barrels the gas reserves are in Mcf, with the arbitrary constant, N calculated from one graphical representation by dividing fractional oil recovery by the initial gas-oil ratio and multiplying 10U6D for convenience.more » An equation is given for estimating the coefficient C. These factors (N and C) can be determined from the graphical representations. An example calculation is included.« less

Film flow and heat transfer during condensation of steam on inclined and vertical nonround tubes

NASA Astrophysics Data System (ADS)

Nikitin, N. N.; Semenov, V. P.

2008-03-01

We describe a mathematical model for calculating heat transfer during film condensation of stagnant steam on inclined and vertical smooth tubes with cross sections of arbitrary shape that takes into account the action of surface tension forces. The heat-transfer coefficients are calculated, and the hydrodynamic pattern is presented in which a condensate film flows over the surface of nonround inclined and vertical tubes with cross-section of different shapes.

Comparative study of flow condensation in conventional and small diameter tubes

NASA Astrophysics Data System (ADS)

Mikielewicz, Dariusz; Andrzejczyk, Rafał

2012-10-01

Flow boiling and flow condensation are often regarded as two opposite or symmetrical phenomena. Their description however with a single correlation has yet to be suggested. In the case of flow boiling in minichannels there is mostly encountered the annular flow structure, where the bubble generation is not present. Similar picture holds for the case of inside tube condensation, where annular flow structure predominates. In such case the heat transfer coefficient is primarily dependent on the convective mechanism. In the paper a method developed earlier by the first author is applied to calculations of heat transfer coefficient for inside tube condensation. The method has been verified using experimental data from literature on several fluids in different microchannels and compared to three well established correlations for calculations of heat transfer coefficient in flow condensation. It clearly stems from the results presented here that the flow condensation can be modeled in terms of appropriately devised pressure drop.

Experimental Analysis of the Effects of Inclination Angle and Working Fluid Amount on the Performance of a Heat Pipe

NASA Astrophysics Data System (ADS)

Mahdavi, Mahboobe; Tiari, Saeed; Qiu, Songgang

2016-11-01

Heat pipes are two-phase heat transfer devices, which operate based on evaporation and condensation of a working fluid inside a sealed container. In the current work, an experimental study was conducted to investigate the performance of a copper-water heat pipe. The performance was evaluated by calculating the corresponding thermal resistance as the ratio of temperature difference between evaporator and condenser to heat input. The effects of inclination angle and the amount of working fluid were studied on the equivalent thermal resistance. The results showed that if the heat pipe is under-filled with the working fluid, energy transferring capacity of the heat pipe decreases dramatically. However, overfilling heat pipe causes over flood and degrades heat pipe performance. The minimum thermal resistances were obtained for the case that 30% of the heat pipe volume was filled with working fluid. It was also found that in gravity-assisted orientations, the inclination angle does not have significant effect on the performance of the heat pipe. However, for gravity-opposed orientations, as the inclination angle increases, the temperature difference between the evaporator and condensation increases and higher thermal resistances are obtained. Authors appreciate the financial support by a research Grant from Temple University.

Modeling of Kerena Emergency Condenser

NASA Astrophysics Data System (ADS)

Bryk, Rafał; Schmidt, Holger; Mull, Thomas; Wagner, Thomas; Ganzmann, Ingo; Herbst, Oliver

2017-12-01

KERENA is an innovative boiling water reactor concept equipped with several passive safety systems. For the experimental verification of performance of the systems and for codes validation, the Integral Test Stand Karlstein (INKA) was built in Karlstein, Germany. The emergency condenser (EC) system transfers heat from the reactor pressure vessel (RPV) to the core flooding pool in case of water level decrease in the RPV. EC is composed of a large number of slightly inclined tubes. During accident conditions, steam enters into the tubes and condenses due to the contact of the tubes with cold water at the secondary side. The condensed water flows then back to the RPV due to gravity. In this paper two approaches for modeling of condensation in slightly inclined tubes are compared and verified against experiments. The first approach is based on the flow regime map. Depending on the regime, heat transfer coefficient is calculated according to specific semi-empirical correlation. The second approach uses a general, fully-empirical correlation. The models are developed with utilization of the object-oriented Modelica language and the open-source OpenModelica environment. The results are compared with data obtained during a large scale integral test, simulating loss of coolant accident performed at Integral Test Stand Karlstein (INKA). The comparison shows a good agreement.Due to the modularity of models, both of them may be used in the future in systems incorporating condensation in horizontal or slightly inclined tubes. Depending on his preferences, the modeller may choose one-equation based approach or more sophisticated model composed of several exchangeable semi-empirical correlations.

Fundamental basis and implementation of shell and tube heat exchanger project design: condenser and evaporator study

NASA Astrophysics Data System (ADS)

Dalkilic, A. S.; Acikgoz, O.; Tapan, S.; Wongwises, S.

2016-12-01

A shell and tube heat exchanger is used as a condenser and an evaporator in this theoretical study. Parametric performance analyses for various actual refrigerants were performed using well-known correlations in open sources. Condensation and evaporation were occurred in the shell side while the water was flowing in the tube side of heat exchanger. Heat transfer rate from tube side was kept constant for condenser and evaporator design. Condensing temperatures were varied from 35 to 60 °C whereas evaporating temperatures were ranging from -15 to 10 °C for the refrigerants of R12, R22, R134a, R32, R507A, R404A, R502, R407C, R152A, R410A and R1234ZE. Variation of convective heat transfer coefficients of refrigerants, total heat transfer coefficients with Reynolds numbers and saturation temperatures were given as validation process considering not only fouling resistance and omission of it but also staggered (triangular) and line (square) arrangements. The minimum tube lengths and necessary pumping powers were calculated and given as case studies for the investigated refrigerants considering validation criteria. It was understood that refrigerant type, fouling resistance and arrangement type are one of the crucial issues regarding the determination of heat exchanger's size and energy consumption. Consequently, R32 and R152a were found to require the shortest tube length and lowest pumping power in the condenser, whereas R507 and R407C have the same advantages in the evaporator. Their heat transfer coefficients were also determined larger than others as expectedly.

Determination of the chiral condensate from (2+1)-flavor lattice QCD.

PubMed

Fukaya, H; Aoki, S; Hashimoto, S; Kaneko, T; Noaki, J; Onogi, T; Yamada, N

2010-03-26

We perform a precise calculation of the chiral condensate in QCD using lattice QCD with 2+1 flavors of dynamical overlap quarks. Up and down quark masses cover a range between 3 and 100 MeV on a 16{3}x48 lattice at a lattice spacing approximately 0.11 fm. At the lightest sea quark mass, the finite volume system on the lattice is in the regime. By matching the low-lying eigenvalue spectrum of the Dirac operator with the prediction of chiral perturbation theory at the next-to-leading order, we determine the chiral condensate in (2+1)-flavor QCD with strange quark mass fixed at its physical value as Sigma;{MS[over ]}(2 GeV)=[242(04)(+19/-18) MeV]{3} where the errors are statistical and systematic, respectively.

Computer Program for Calculation of Complex Chemical Equilibrium Compositions, Rocket Performance, Incident and Reflected Shocks, and Chapman-Jouguet Detonations. Interim Revision, March 1976

NASA Technical Reports Server (NTRS)

Gordon, S.; Mcbride, B. J.

1976-01-01

A detailed description of the equations and computer program for computations involving chemical equilibria in complex systems is given. A free-energy minimization technique is used. The program permits calculations such as (1) chemical equilibrium for assigned thermodynamic states (T,P), (H,P), (S,P), (T,V), (U,V), or (S,V), (2) theoretical rocket performance for both equilibrium and frozen compositions during expansion, (3) incident and reflected shock properties, and (4) Chapman-Jouguet detonation properties. The program considers condensed species as well as gaseous species.

Plane-wave pseudopotential implementation and performance of SCAN meta-GGA exchange-correlation functional for extended systems

NASA Astrophysics Data System (ADS)

Yao, Yi; Kanai, Yosuke

2017-06-01

We present the implementation and performance of the strongly constrained and appropriately normed, SCAN, meta-GGA exchange-correlation (XC) approximation in the planewave-pseudopotential (PW-PP) formalism using the Troullier-Martins pseudopotential scheme. We studied its performance by applying the PW-PP implementation to several practical applications of interest in condensed matter sciences: (a) crystalline silicon and germanium, (b) martensitic phase transition energetics of phosphorene, and (c) a single water molecule physisorption on a graphene sheet. Given the much-improved accuracy over the GGA functionals and its relatively low computational cost compared to hybrid XC functionals, the SCAN functional is highly promising for various practical applications of density functional theory calculations for condensed matter systems. At same time, the SCAN meta-GGA functional appears to require more careful attention to numerical details. The meta-GGA functional shows more significant dependence on the fast Fourier transform grid, which is used for evaluating the XC potential in real space in the PW-PP formalism, than other more conventional GGA functionals do. Additionally, using pseudopotentials that are generated at a different/lower level of XC approximation could introduce noticeable errors in calculating some properties such as phase transition energetics.

Absolute vibrational cross sections for 1-19 eV electron scattering from condensed tetrahydrofuran (THF).

PubMed

Lemelin, V; Bass, A D; Cloutier, P; Sanche, L

2016-02-21

Absolute cross sections (CSs) for vibrational excitation by 1-19 eV electrons impacting on condensed tetrahydrofuran (THF) were measured with a high-resolution electron energy loss spectrometer. Experiments were performed under ultra-high vacuum (3 × 10(-11) Torr) at a temperature of about 20 K. The magnitudes of the vibrational CSs lie within the 10(-17) cm(2) range. Features observed near 4.5, 9.5, and 12.5 eV in the incident energy dependence of the CSs were compared to the results of theoretical calculations and other experiments on gas and solid-phase THF. These three resonances are attributed to the formation of shape or core-excited shape resonances. Another maximum observed around 2.5 eV is not found in the calculations but has been observed in gas-phase studies; it is attributed to the formation of a shape resonance.

Properties of atomic pairs produced in the collision of Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Ziń, Paweł; Wasak, Tomasz

2018-04-01

During a collision of Bose-Einstein condensates correlated pairs of atoms are emitted. The scattered massive particles, in analogy to photon pairs in quantum optics, might be used in the violation of Bell's inequalities, demonstration of Einstein-Podolsky-Rosen correlations, or sub-shot-noise atomic interferometry. Usually, a theoretical description of the collision relies either on stochastic numerical methods or on analytical treatments involving various approximations. Here, we investigate elastic scattering of atoms from colliding elongated Bose-Einstein condensates within the Bogoliubov method, carefully controlling performed approximations at every stage of the analysis. We derive expressions for the one- and two-particle correlation functions. The obtained formulas, which relate the correlation functions to the condensate wave function, are convenient for numerical calculations. We employ the variational approach for condensate wave functions to obtain analytical expressions for the correlation functions, whose properties we analyze in detail. We also present a useful semiclassical model of the process and compare its results with the quantum one. The results are relevant for recent experiments with excited helium atoms, as well as for planned experiments aimed at investigating the nonclassicality of the system.

Discussion on the energy content of the galactic dark matter Bose-Einstein condensate halo in the Thomas-Fermi approximation

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

De Souza, J.C.C.; Pires, M.O.C., E-mail: jose.souza@ufabc.edu.br, E-mail: marcelo.pires@ufabc.edu.br

We show that the galactic dark matter halo, considered composed of an axionlike particles Bose-Einstein condensate [6] trapped by a self-graviting potential [5], may be stable in the Thomas-Fermi approximation since appropriate choices for the dark matter particle mass and scattering length are made. The demonstration is performed by means of the calculation of the potential, kinetic and self-interaction energy terms of a galactic halo described by a Boehmer-Harko density profile. We discuss the validity of the Thomas-Fermi approximation for the halo system, and show that the kinetic energy contribution is indeed negligible.

Controlling molecular condensation/diffusion of copper phthalocyanine by local electric field induced with scanning tunneling microscope tip

NASA Astrophysics Data System (ADS)

Nagaoka, Katsumi; Yaginuma, Shin; Nakayama, Tomonobu

2018-02-01

We have discovered the condensation/diffusion phenomena of copper phthalocyanine (CuPc) molecules controlled with a pulsed electric field induced by the scanning tunneling microscope tip. This behavior is not explained by the conventional induced dipole model. In order to understand the mechanism, we have measured the electronic structure of the molecule by tunneling spectroscopy and also performed theoretical calculations on molecular orbitals. These data clearly indicate that the molecule is positively charged owing to charge transfer to the substrate, and that hydrogen bonding exists between CuPc molecules, which makes the molecular island stable.

The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates

NASA Astrophysics Data System (ADS)

Powers, Anna; Scribano, Yohann; Lauvergnat, David; Mebe, Elsy; Benoit, David M.; Bačić, Zlatko

2018-04-01

We report a theoretical study of the frequency shift (redshift) of the stretching fundamental transition of an H2 molecule confined inside the small dodecahedral cage of the structure II clathrate hydrate and its dependence on the condensed-phase environment. In order to determine how much the hydrate water molecules beyond the confining small cage contribute to the vibrational frequency shift, quantum five-dimensional (5D) calculations of the coupled translation-rotation eigenstates are performed for H2 in the v =0 and v =1 vibrational states inside spherical clathrate hydrate domains of increasing radius and a growing number of water molecules, ranging from 20 for the isolated small cage to over 1900. In these calculations, both H2 and the water domains are treated as rigid. The 5D intermolecular potential energy surface (PES) of H2 inside a hydrate domain is assumed to be pairwise additive. The H2-H2O pair interaction, represented by the 5D (rigid monomer) PES that depends on the vibrational state of H2, v =0 or v =1 , is derived from the high-quality ab initio full-dimensional (9D) PES of the H2-H2O complex [P. Valiron et al., J. Chem. Phys. 129, 134306 (2008)]. The H2 vibrational frequency shift calculated for the largest clathrate domain considered, which mimics the condensed-phase environment, is about 10% larger in magnitude than that obtained by taking into account only the small cage. The calculated splittings of the translational fundamental of H2 change very little with the domain size, unlike the H2 j = 1 rotational splittings that decrease significantly as the domain size increases. The changes in both the vibrational frequency shift and the j = 1 rotational splitting due to the condensed-phase effects arise predominantly from the H2O molecules in the first three complete hydration shells around H2.

Characterization of simultaneous heat and mass transfer phenomena for water vapour condensation on a solid surface in an abiotic environment--application to bioprocesses.

PubMed

Tiwari, Akhilesh; Kondjoyan, Alain; Fontaine, Jean-Pierre

2012-07-01

The phenomenon of heat and mass transfer by condensation of water vapour from humid air involves several key concepts in aerobic bioreactors. The high performance of bioreactors results from optimised interactions between biological processes and multiphase heat and mass transfer. Indeed in various processes such as submerged fermenters and solid-state fermenters, gas/liquid transfer need to be well controlled, as it is involved at the microorganism interface and for the control of the global process. For the theoretical prediction of such phenomena, mathematical models require heat and mass transfer coefficients. To date, very few data have been validated concerning mass transfer coefficients from humid air inflows relevant to those bioprocesses. Our study focussed on the condensation process of water vapour and developed an experimental set-up and protocol to study the velocity profiles and the mass flux on a small size horizontal flat plate in controlled environmental conditions. A closed circuit wind tunnel facility was used to control the temperature, hygrometry and hydrodynamics of the flow. The temperature of the active surface was controlled and kept isothermal below the dew point to induce condensation, by the use of thermoelectricity. The experiments were performed at ambient temperature for a relative humidity between 35-65% and for a velocity of 1.0 ms⁻¹. The obtained data are analysed and compared to available theoretical calculations on condensation mass flux.

Non-equilibrium Transport in Carbon based Adsorbate Systems

NASA Astrophysics Data System (ADS)

Fürst, Joachim; Brandbyge, Mads; Stokbro, Kurt; Jauho, Antti-Pekka

2007-03-01

We have used the Atomistix Tool Kit(ATK) and TranSIESTA[1] packages to investigate adsorption of iron atoms on a graphene sheet. The technique of both codes is based on density functional theory using local basis sets[2], and non-equilibrium Green's functions (NEGF) to calculate the charge distribution under external bias. Spin dependent electronic structure calculations are performed for different iron coverages. These reveal adsorption site dependent charge transfer from iron to graphene leading to screening effects. Transport calculations show spin dependent scattering of the transmission which is analysed obtaining the transmission eigenchannels for each spin type. The phenomena of electromigration of iron in these systems at finite bias will be discussed, estimating the so-called wind force from the reflection[3]. [1] M. Brandbyge, J.-L. Mozos, P. Ordejon, J. Taylor, and K. Stokbro. Physical Review B (Condensed Matter and Materials Physics), 65(16):165401/11-7, 2002. [2] Jose M. Soler, Emilio Artacho, Julian D. Gale, Alberto Garcia, Javier Junquera, Pablo Ordejon, and Daniel Sanchez-Portal. Journal of Physics Condensed Matter, 14(11):2745-2779, 2002. [3] Sorbello. Theory of electromigration. Solid State Physics, 1997.

The Effect of Condensate Inundation on Steam Condensation Heat Transfer to Wire-Wrapped Tubing.

DTIC Science & Technology

1983-06-01

wrapped in a helical manner. The measured condensing coefficient was approximately three times that predicted by the Nusselt equation for a smooth tube...Du. Em0At Block 20 (continued) --"- condensing coefficient measured for 30 smooth tubes was 0.59 times the Nusselt coefficient calculated for the...of 0.029 was found, while it was 0.061 for the roped tubes. The average condensing coefficient measured for 30 smooth tubes was 0.59 times the Nusselt

A data assimilation technique to account for the nonlinear dependence of scattering microwave observations of precipitation

NASA Astrophysics Data System (ADS)

Haddad, Z. S.; Steward, J. L.; Tseng, H.-C.; Vukicevic, T.; Chen, S.-H.; Hristova-Veleva, S.

2015-06-01

Satellite microwave observations of rain, whether from radar or passive radiometers, depend in a very crucial way on the vertical distribution of the condensed water mass and on the types and sizes of the hydrometeors in the volume resolved by the instrument. This crucial dependence is nonlinear, with different types and orders of nonlinearity that are due to differences in the absorption/emission and scattering signatures at the different instrument frequencies. Because it is not monotone as a function of the underlying condensed water mass, the nonlinearity requires great care in its representation in the observation operator, as the inevitable uncertainties in the numerous precipitation variables are not directly convertible into an additive white uncertainty in the forward calculated observations. In particular, when attempting to assimilate such data into a cloud-permitting model, special care needs to be applied to describe and quantify the expected uncertainty in the observations operator in order not to turn the implicit white additive uncertainty on the input values into complicated biases in the calculated radiances. One approach would be to calculate the means and covariances of the nonlinearly calculated radiances given an a priori joint distribution for the input variables. This would be a very resource-intensive proposal if performed in real time. We propose a representation of the observation operator based on performing this moment calculation off line, with a dimensionality reduction step to allow for the effective calculation of the observation operator and the associated covariance in real time during the assimilation. The approach is applicable to other remotely sensed observations that depend nonlinearly on model variables, including wind vector fields. The approach has been successfully applied to the case of tropical cyclones, where the organization of the system helps in identifying the dimensionality-reducing variables.

Computer program grade 2 for the design and analysis of heat-pipe wicks

NASA Technical Reports Server (NTRS)

Eninger, J. E.; Edwards, D. K.

1976-01-01

This user's manual describes the revised version of the computer program GRADE(1), which designs and analyzes heat pipes with graded porosity fibrous slab wicks. The revisions are: (1) automatic calculation of the minimum condenser-end stress that will not result in an excess-liquid puddle or a liquid slug in the vapor space; (2) numerical solution of the equations describing flow in the circumferential grooves to assess the burnout criterion; (3) calculation of the contribution of excess liquid in fillets and puddles to the heat-transport; (4) calculation of the effect of partial saturation on the wick performance; and (5) calculation of the effect of vapor flow, which includes viscousinertial interactions.

Precipitating Condensation Clouds in Substellar Atmospheres

NASA Technical Reports Server (NTRS)

Ackerman, Andrew S.; Marley, Mark S.; Gore, Warren J. (Technical Monitor)

2000-01-01

We present a method to calculate vertical profiles of particle size distributions in condensation clouds of giant planets and brown dwarfs. The method assumes a balance between turbulent diffusion and precipitation in horizontally uniform cloud decks. Calculations for the Jovian ammonia cloud are compared with previous methods. An adjustable parameter describing the efficiency of precipitation allows the new model to span the range of predictions from previous models. Calculations for the Jovian ammonia cloud are found to be consistent with observational constraints. Example calculations are provided for water, silicate, and iron clouds on brown dwarfs and on a cool extrasolar giant planet.

Method of measuring interface area of activated carbons in condensed phase

NASA Astrophysics Data System (ADS)

Dmitriyev, D. S.; Agafonov, D. V.; Kiseleva, E. A.; Mikryukova, M. A.

2018-01-01

In this work, we investigated the correlation between the heat of wetting of super-capacitor electrode material (activated carbon) with condensed phases (electrolytes based on homologous series of phosphoric acid esters) and the capacity of the supercapacitor. The surface area of the electrode-electrolyte interface was calculated according to the obtained correlations using the conventional formula for calculating the capacitance of a capacitor.

Possible formation of high temperature superconductor at an early stage of heavy-ion collisions

NASA Astrophysics Data System (ADS)

Liu, Hao; Yu, Lang; Chernodub, Maxim; Huang, Mei

2016-12-01

We investigate the effect of the inverse magnetic catalysis (IMC) on charged ρ meson condensation at finite temperature in the framework of the Nambu-Jona-Lasinio model, where mesons are calculated to the leading order of 1 /Nc expansion. The IMC for chiral condensate has been considered using three different approaches: incorporating the chiral condensate from lattice data, using the running coupling constant, and introducing the chiral chemical potential, respectively. It is observed that with no IMC effect included, the critical magnetic field e Bc for charged ρ condensation increases monotonically with the temperature. However, including IMC substantially affects the polarized charged ρ condensation around the critical temperature Tc of the chiral phase transition: first, the critical magnetic field e Bc for the charged ρ condensation decreases with the temperature, reaches its minimum value around Tc, and then increases with the temperature. It is quite surprising that the charged ρ can condense above the critical temperature of chiral phase transition with a even smaller critical magnetic field comparing its vacuum value. The Nambu-Jona-Lasinio model calculation shows that in the temperature region of 1 - 1.5 Tc , the critical magnetic field for charged ρ condensation is rather small and in the region of e Bc˜0.15 - 0.3 GeV2 , which suggests that high temperature superconductor might be created through noncentral heavy ion collisions at LHC energies.

Dust formation in LBV envelopes

NASA Astrophysics Data System (ADS)

Gail, H.-P.; Duschl, W. J.; Ferrarotti, A. S.; Weis, K.

2005-09-01

The condensation process for the peculiar element mixture of CNO cycle processed material in the pre-SN ejecta of massive stars is investigated. From thermodynamic equilibrium calculations it is shown that the most likely solids to be formed in CNO process equilibrated materials are solid FeSi, metallic Fe, and small quantities of forsterite (Mg2SiO4). Nucleation may be triggered by TiC. Some SiC may be formed by non-equilibrium condensation. As a case study for these substances the non-equilibrium dust condensation in the outflow is calculated for a simple stationary wind model which shows, that these dust species indeed can be formed in the ejecta.

Application of a single-fluid model for the steam condensing flow prediction

NASA Astrophysics Data System (ADS)

Smołka, K.; Dykas, S.; Majkut, M.; Strozik, M.

2016-10-01

One of the results of many years of research conducted in the Institute of Power Engineering and Turbomachinery of the Silesian University of Technology are computational algorithms for modelling steam flows with a non-equilibrium condensation process. In parallel with theoretical and numerical research, works were also started on experimental testing of the steam condensing flow. This paper presents a comparison of calculations of a flow field modelled by means of a single-fluid model using both an in-house CFD code and the commercial Ansys CFX v16.2 software package. The calculation results are compared to inhouse experimental testing.

Bose Condensation at He-4 Interfaces

NASA Technical Reports Server (NTRS)

Draeger, E. W.; Ceperley, D. M.

2003-01-01

Path Integral Monte Carlo was used to calculate the Bose-Einstein condensate fraction at the surface of a helium film at T = 0:77 K, as a function of density. Moving from the center of the slab to the surface, the condensate fraction was found to initially increase with decreasing density to a maximum value of 0.9, before decreasing. Long wavelength density correlations were observed in the static structure factor at the surface of the slab. A surface dispersion relation was calculated from imaginary-time density-density correlations. Similar calculations of the superfluid density throughout He-4 droplets doped with linear impurities (HCN)(sub n) are presented. After deriving a local estimator for the superfluid density distribution, we find a decreased superfluid response in the first solvation layer. This effective normal fluid exhibits temperature dependence similar to that of a two-dimensional helium system.

Influence of condensed species on thermo-physical properties of LTE and non-LTE SF6-Cu mixture

NASA Astrophysics Data System (ADS)

Chen, Zhexin; Wu, Yi; Yang, Fei; Sun, Hao; Rong, Mingzhe; Wang, Chunlin

2017-10-01

SF6-Cu mixture is frequently formed in high-voltage circuit breakers due to the electrode erosion and metal vapor diffusion. During the interruption process, the multiphase effect and deviation from local thermal equilibrium (non-LTE assumption) can both affect the thermo-physical of the arc plasma and further influence the performance of circuit breaker. In this paper, thermo-physical properties, namely composition, thermodynamic properties and transport coefficients are calculated for multiphase SF6-Cu mixture with and without LTE assumption. The composition is confirmed by combining classical two-temperature mass action law with phase equilibrium condition deduced from second law of thermodynamics. The thermodynamic properties and transport coefficients are calculated using the multiphase composition result. The influence of condensed species on thermo-physical properties is discussed at different temperature, pressure (0.1-10 atm), non-equilibrium degrees (1-10), and copper molar proportions (0-50%). It is found that the multiphase effect has significant influence on specific enthalpy, specific heat and heavy species thermal conductivity in both LTE and non-LTE SF6-Cu system. This paper provides a more accurate database for computational fluid dynamic calculation.

Two characteristic temperatures for a Bose-Einstein condensate of a finite number of particles

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

Idziaszek, Z.; Institut fuer Theoretische Physik, Universitaet Hannover, D-30167 Hannover,; Rzazewski, K.

2003-09-01

We consider two characteristic temperatures for a Bose-Einstein condensate, which are related to certain properties of the condensate statistics. We calculate them for an ideal gas confined in power-law traps and show that they approach the critical temperature in the limit of large number of particles. The considered characteristic temperatures can be useful in the studies of Bose-Einstein condensates of a finite number of atoms indicating the point of a phase transition.

Specific Impulses Losses in Solid Propellant Rockets

DTIC Science & Technology

1974-12-17

binder -- polyvinyl, polyurethane, or polybutadiene) markedly increases performance. Aluminum is the most widely used metal since its energy properties...temperature is also used. -5- The specific impulse values calculated for a typical propellant with 16.4% aluminum are as follows: (p0 70 atm. p - 1 atm...Direct Measurement of Combuction Efficiency of Aluminum Analysis of the condensed phase enables the proportion of unburnt aluminum to be determined

Condensate fluctuations of interacting Bose gases within a microcanonical ensemble.

PubMed

Wang, Jianhui; He, Jizhou; Ma, Yongli

2011-05-01

Based on counting statistics and Bogoliubov theory, we present a recurrence relation for the microcanonical partition function for a weakly interacting Bose gas with a finite number of particles in a cubic box. According to this microcanonical partition function, we calculate numerically the distribution function, condensate fraction, and condensate fluctuations for a finite and isolated Bose-Einstein condensate. For ideal and weakly interacting Bose gases, we compare the condensate fluctuations with those in the canonical ensemble. The present approach yields an accurate account of the condensate fluctuations for temperatures close to the critical region. We emphasize that the interactions between excited atoms turn out to be important for moderate temperatures.

Fresh clouds: A parameterized updraft method for calculating cloud densities in one-dimensional models

NASA Astrophysics Data System (ADS)

Wong, Michael H.; Atreya, Sushil K.; Kuhn, William R.; Romani, Paul N.; Mihalka, Kristen M.

2015-01-01

Models of cloud condensation under thermodynamic equilibrium in planetary atmospheres are useful for several reasons. These equilibrium cloud condensation models (ECCMs) calculate the wet adiabatic lapse rate, determine saturation-limited mixing ratios of condensing species, calculate the stabilizing effect of latent heat release and molecular weight stratification, and locate cloud base levels. Many ECCMs trace their heritage to Lewis (Lewis, J.S. [1969]. Icarus 10, 365-378) and Weidenschilling and Lewis (Weidenschilling, S.J., Lewis, J.S. [1973]. Icarus 20, 465-476). Calculation of atmospheric structure and gas mixing ratios are correct in these models. We resolve errors affecting the cloud density calculation in these models by first calculating a cloud density rate: the change in cloud density with updraft length scale. The updraft length scale parameterizes the strength of the cloud-forming updraft, and converts the cloud density rate from the ECCM into cloud density. The method is validated by comparison with terrestrial cloud data. Our parameterized updraft method gives a first-order prediction of cloud densities in a “fresh” cloud, where condensation is the dominant microphysical process. Older evolved clouds may be better approximated by another 1-D method, the diffusive-precipitative Ackerman and Marley (Ackerman, A.S., Marley, M.S. [2001]. Astrophys. J. 556, 872-884) model, which represents a steady-state equilibrium between precipitation and condensation of vapor delivered by turbulent diffusion. We re-evaluate observed cloud densities in the Galileo Probe entry site (Ragent, B. et al. [1998]. J. Geophys. Res. 103, 22891-22910), and show that the upper and lower observed clouds at ∼0.5 and ∼3 bars are consistent with weak (cirrus-like) updrafts under conditions of saturated ammonia and water vapor, respectively. The densest observed cloud, near 1.3 bar, requires unexpectedly strong updraft conditions, or higher cloud density rates. The cloud density rate in this layer may be augmented by a composition with non-NH4SH components (possibly including adsorbed NH3).

Impact of new particle formation on the concentrations of aerosol number and cloud condensation nuclei around Beijing

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

Matsui, H.; Koike, Makoto; Kondo, Yutaka

New particle formation (NPF) is one of the most important processes in controlling the concentrations of aerosol number (condensation nuclei, CN) and cloud condensation nuclei (CCN) in the atmosphere. In this study, we introduced a new aerosol model representation with 20 size bins between 1 nm and 10 {mu}m and activation-type and kinetic nucleation parameterizations into the WRF-chem model (called NPF-explicit WRF-chem). Model calculations were conducted in the Beijing region in China for the periods during the CARE-Beijing 2006 campaign conducted in August and September 2006. Model calculations successfully reproduced the timing of NPF and no-NPF days in the measurementsmore » (21 of 26 days). Model calculations also reproduced the subsequent rapid growth of new particles with a time scale of half a day. These results suggest that once a reasonable nucleation rate at a diameter of 1 nm is given, explicit calculations of condensation and coagulation processes can reproduce the clear contrast between NPF and no-NPF days as well as further growth up to several tens nanometers. With this reasonable representation of the NPF process, we show that NPF contributed 20-30% of CN concentrations (> 10 nm in diameter) in and around Beijing on average. We also show that NPF increases CCN concentrations at higher supersaturations (S > 0.2%), while it decreases them at lower supersaturations (S < 0.1%). This is likely because NPF suppresses the increases in both the size and hygroscopicity of pre-existing particles through the competition of condensable gases between new particles and pre-existing particles. Sensitivity calculations show that a reduction of primary aerosol emissions, such as black carbon (BC), would not necessarily decrease CCN concentrations because of an increase in NPF. Sensitivity calculations also suggest that the reduction ratio of primary aerosol and SO2 emissions will be key in enhancing or damping the BC mitigation effect.« less

Impact of new particle formation on the concentrations of aerosols and cloud condensation nuclei around Beijing

NASA Astrophysics Data System (ADS)

Matsui, H.; Koike, M.; Kondo, Y.; Takegawa, N.; Wiedensohler, A.; Fast, J. D.; Zaveri, R. A.

2011-10-01

New particle formation (NPF) is one of the most important processes in controlling the concentrations of aerosols (condensation nuclei, CN) and cloud condensation nuclei (CCN) in the atmosphere. In this study, we introduce a new aerosol model representation with 20 size bins between 1 nm and 10 μm and activation-type and kinetic nucleation parameterizations into the WRF-chem model (called NPF-explicit WRF-chem). Model calculations were conducted in the Beijing region in China for the periods during the Campaign of Air Quality Research in Beijing and Surrounding Region 2006 (CARE-Beijing 2006) campaign conducted in August and September 2006. Model calculations successfully reproduced the timing of NPF and no-NPF days in the measurements (21 of 26 days). Model calculations also reproduced the subsequent rapid growth of new particles with a time scale of half a day. These results suggest that once a reasonable nucleation rate at a diameter of 1 nm is given, explicit calculations of condensation and coagulation processes can reproduce the clear contrast between NPF and no-NPF days as well as further growth up to several tens of nanometers. With this reasonable representation of the NPF process, we show that NPF contributed 20%-30% of the CN concentrations (>10 nm in diameter) in and around Beijing on average. We also show that NPF increases CCN concentrations at higher supersaturations (S > 0.2%), while it decreases them at lower supersaturations (S < 0.1%). This is likely because NPF suppresses the increases in both the size and hygroscopicity of preexisting particles through the competition of condensable gases between new particles and preexisting particles. Sensitivity calculations show that a reduction of primary aerosol emissions, such as black carbon (BC), would not necessarily decrease CCN concentrations because of an increase in NPF. Sensitivity calculations also suggest that the reduction ratio of primary aerosol and SO2 emissions will be key in enhancing or damping the BC mitigation effect.

Interference, focusing and excitation of ultracold atoms

NASA Astrophysics Data System (ADS)

Kandes, M. C.; Fahy, B. M.; Williams, S. R.; Tally, C. H., IV; Bromley, M. W. J.

2011-05-01

One of the pressing technological challenges in atomic physics is to go orders-of-magnitude beyond the limits of photon-based optics by harnessing the wave-nature of dilute clouds of ultracold atoms. We have developed parallelised algorithms to perform numerical calculations of the Gross-Pitaevskii equation in up to three dimensions and with up to three components to simulate Bose-Einstein condensates. A wide-ranging array of the physics associated with atom optics-based systems will be presented including BEC-based Sagnac interferometry in circular waveguides, the focusing of BECs using Laguerre-Gauss beams, and the interactions between BECs and Ince-Gaussian laser beams and their potential applications. One of the pressing technological challenges in atomic physics is to go orders-of-magnitude beyond the limits of photon-based optics by harnessing the wave-nature of dilute clouds of ultracold atoms. We have developed parallelised algorithms to perform numerical calculations of the Gross-Pitaevskii equation in up to three dimensions and with up to three components to simulate Bose-Einstein condensates. A wide-ranging array of the physics associated with atom optics-based systems will be presented including BEC-based Sagnac interferometry in circular waveguides, the focusing of BECs using Laguerre-Gauss beams, and the interactions between BECs and Ince-Gaussian laser beams and their potential applications. Performed on computational resources via NSF grants PHY-0970127, CHE-0947087 and DMS-0923278.

Origin of spinel-rich chondrules and inclusions in carbonaceous and ordinary chondrites

NASA Technical Reports Server (NTRS)

Kornacki, A. S.; Fegley, B., Jr.

1984-01-01

The evaluation of three models of the origin of spinel-rich chondrules and inclusions presented here includes new calculations of the major-element refractory mineral condensation sequence from a gas of solar composition over a wide pressure interval. Condensation calculations show that spinel-rich chondrules did not crystallize from metastable liquid condensates, and that spinel-rich inclusions are not aggregates of refractory nebular condensates. It is proposed that spinel-rich objects are fractionated distillation residues of small aggregates of primitive dust that lost Ca, Si-rich partial melts by evaporation, ablation, or splashing during collisions. This model also explains why spinel-rich chondrules and inclusions (1) are usually smaller than melilite-rich chondrules and inclusions; (2) often have highly fractionated trace-element compositions; and (3) usually do not contain Pt-metal nuggets even when they are more enriched in the Pt-group metals than nugget-bearing melilite-rich objects.

Condensate statistics and thermodynamics of weakly interacting Bose gas: Recursion relation approach

NASA Astrophysics Data System (ADS)

Dorfman, K. E.; Kim, M.; Svidzinsky, A. A.

2011-03-01

We study condensate statistics and thermodynamics of weakly interacting Bose gas with a fixed total number N of particles in a cubic box. We find the exact recursion relation for the canonical ensemble partition function. Using this relation, we calculate the distribution function of condensate particles for N=200. We also calculate the distribution function based on multinomial expansion of the characteristic function. Similar to the ideal gas, both approaches give exact statistical moments for all temperatures in the framework of Bogoliubov model. We compare them with the results of unconstraint canonical ensemble quasiparticle formalism and the hybrid master equation approach. The present recursion relation can be used for any external potential and boundary conditions. We investigate the temperature dependence of the first few statistical moments of condensate fluctuations as well as thermodynamic potentials and heat capacity analytically and numerically in the whole temperature range.

The Fate of Volatiles in Subaqueous Explosive Eruptions: An Analysis of Steam Condensation in the Water Column

NASA Astrophysics Data System (ADS)

Cahalan, R. C.; Dufek, J.

2015-12-01

A model has been developed to determine the theoretical limits of steam survival in a water column during a subaqueous explosive eruption. Understanding the role of steam dynamics in particle transport and the evolution of the thermal budget is critical to addressing the first order questions of subaqueous eruption mechanics. Ash transport in subaqueous eruptions is initially coupled to the fate of volatile transport. The survival of steam bubbles to the water surface could enable non-wetted ash transport from the vent to a subaerial ash cloud. Current eruption models assume a very simple plume mixing geometry, that cold water mixes with the plume immediately after erupting, and that the total volume of steam condenses in the initial phase of mixing. This limits the survival of steam to within tens of meters above the vent. Though these assumptions may be valid, they are unproven, and the calculations based on them do not take into account any kinetic constraints on condensation. The following model has been developed to evaluate the limits of juvenile steam survival in a subaqueous explosive eruption. This model utilizes the analytical model for condensation of steam injected into a sub-cooled pool produced in Park et al. (2007). Necessary parameterizations require an iterative internal calculation of the steam saturation temperature and vapor density for each modeled time step. The contribution of volumetric expansion due to depressurization of a rising bubble is calculated and used in conjunction with condensation rate to calculate the temporal evolution of bubble volume and radius. Using steam bubble volume with the BBO equation for Lagrangian transport in a fluid, the bubble rise velocity is calculated and used to evaluate the rise distance. The steam rise model proves a useful tool to compare the effects of steam condensation, volumetric expansion, volume flux, and water depth on the dynamics of juvenile steam. The modeled results show that a sufficiently high volatile flux could lead to the survival of steam bubbles from >1km depths to the ocean surface, though low to intermediate fluxes lead to fairly rapid condensation. Building on this result we also present the results of simulations of multiphase steam jets and consider the likelihood of collapse inside a vapor envelope.

Lifespan estimation of seal welded super stainless steels for water condenser of nuclear power plants

NASA Astrophysics Data System (ADS)

Kim, Young Sik; Park, Sujin; Chang, Hyun Young

2014-01-01

When sea water was used as cooling water for water condenser of nuclear power plants, commercial stainless steels can not be applied because chloride concentration exceeds 20,000 ppm. There are many opinions for the materials selection of tube and tube sheets of a condenser. This work reviewed the application guide line of stainless steels for sea-water facilities and the estimation equations of lifespan were proposed from the analyses of both field data for sea water condenser and experimental results of corrosion. Empirical equations for lifespan estimation were derived from the pit initiation time and re-tubing time of stainless steel tubing in sea water condenser of nuclear power plants. The lifespan of seal-welded super austenitic stainless steel tube/tube sheet was calculated from these equations. Critical pitting temperature of seal-welded PRE 50 grade super stainless steel was evaluated as 60 °C. Using the proposed equation in engineering aspect, tube pitting corrosion time of seal-welded tube/tube sheet was calculated as 69.8 years and re-tubing time was estimated as 82.0 years.

Condenser: a statistical aggregation tool for multi-sample quantitative proteomic data from Matrix Science Mascot Distiller™.

PubMed

Knudsen, Anders Dahl; Bennike, Tue; Kjeldal, Henrik; Birkelund, Svend; Otzen, Daniel Erik; Stensballe, Allan

2014-05-30

We describe Condenser, a freely available, comprehensive open-source tool for merging multidimensional quantitative proteomics data from the Matrix Science Mascot Distiller Quantitation Toolbox into a common format ready for subsequent bioinformatic analysis. A number of different relative quantitation technologies, such as metabolic (15)N and amino acid stable isotope incorporation, label-free and chemical-label quantitation are supported. The program features multiple options for curative filtering of the quantified peptides, allowing the user to choose data quality thresholds appropriate for the current dataset, and ensure the quality of the calculated relative protein abundances. Condenser also features optional global normalization, peptide outlier removal, multiple testing and calculation of t-test statistics for highlighting and evaluating proteins with significantly altered relative protein abundances. Condenser provides an attractive addition to the gold-standard quantitative workflow of Mascot Distiller, allowing easy handling of larger multi-dimensional experiments. Source code, binaries, test data set and documentation are available at http://condenser.googlecode.com/. Copyright © 2014 Elsevier B.V. All rights reserved.

Vapor deposition and condensate flow on combustion turbine blades - Theoretical model to predict/understand some corrosion rate consequences of molten alkali sulfate deposition in the field or laboratory

NASA Technical Reports Server (NTRS)

Rosner, Daniel E.; Nagarajan, R.

1987-01-01

An analysis is undertaken of aerodynamically- and centrifugally-driven liquid condensate layers on nonisothermal combustion turbines' stator vanes and rotor blades. Attention is given to the quantitative consequences of one possible mechanism for the initiation of 'hot corrosion' in the underlying blade material through a 'fluxing' of the protective oxide coating by the molten salt of the Newtonian condensate film. Illustrative calculations are presented for the condensate streamline pattern and the distributions of the steady-state condensate layer thickness, together with the corresponding oxide dissolution rate, for a test turbine blade.

Bose-Einstein condensation in atomic alkali gases

NASA Astrophysics Data System (ADS)

Dodd, Robert J.

1998-05-01

I present a review of the time-independent Gross-Pitaevskii (GP), Bogoliubov, and finite-temperature Hartree-Fock-Bogoliubov (HFB) mean-field theories used to study trapped, Bose-Einstein condensed alkali gases. Numerical solutions of the (zero-temperature) GP equation are presented for attractive (negative scattering length) and repulsive (positive scattering length) interactions. Comparison is made with the Thomas-Fermi and (variational) trial wavefunction appr oximations that are used in the literature to study condensed gases. Numerical calculations of the (zero-temperature) Bogoliubov quasi-particle excitation frequencies are found to be in excellent agreement with the experimental results. The finite-temperature properties of condensed gases are examined using the Popov approximation (of the HFB theory) and a simple two-gas model. Specific, quantitative comparisons are made with experimental results for finite-temperature excitation frequencies. Qualitative comparisons are made between the results of the Popov approximation, two-gas model, and other published models for condensate fraction and thermal density distribution. The time-independent mean-field theories are found to be in excellent agreement with experimental results at relatively low temperatures (high condensate fractions). However, at higher temperatures (and condensate fractions of less than 50%) there are significant discrepancies between experimental data and theoretical calculations. This work was undertaken at the University of Maryland at College Park and was supported in part by the National Science Foundation (PHY-9601261) and the U.S. Office of Naval Research.

Computational screening of oxetane monomers for novel hydroxy terminated polyethers.

PubMed

Sarangapani, Radhakrishnan; Ghule, Vikas D; Sikder, Arun K

2014-06-01

Energetic hydroxy terminated polyether prepolymers find paramount importance in search of energetic binders for propellant applications. In the present study, density functional theory (DFT) has been employed to screen the various novel energetic oxetane derivatives, which usually construct the backbone for these energetic polymers. Molecular structures were investigated at the B3LYP/6-31G* level, and isodesmic reactions were designed for calculating the gas phase heats of formation. The condensed phase heats of formation for designed compounds were calculated by the Politzer approach using heats of sublimation. Among the designed oxetane derivatives, T4 and T5 possess condensed phase heat of formation above 210 kJ mol(-1). The crystal packing density of the designed oxetane derivatives varied from 1.2 to 1.6 g/cm(3). The detonation velocities and pressures were evaluated using the Kamlet-Jacobs equations, utilizing the predicted densities and HOFCond. It was found that most of the designed oxetane derivatives have detonation performance comparable to the monomers of benchmark energetic polymers viz., NIMMO, AMMO, and BAMO. The strain energy (SE) for the oxetane derivatives were calculated using homodesmotic reactions, while intramolecular group interactions were predicted through the disproportionation energies. The concept of chemical hardness is used to analyze the susceptibility of designed compounds to reactivity and chemical transformations. The heats of formation, density, and predicted performance imply that the designed molecules are expected to be candidates for polymer synthesis and potential molecules for energetic binders.

Introducing a new methodology for the calculation of local philicity and multiphilic descriptor: an alternative to the finite difference approximation

NASA Astrophysics Data System (ADS)

Sánchez-Márquez, Jesús; Zorrilla, David; García, Víctor; Fernández, Manuel

2018-07-01

This work presents a new development based on the condensation scheme proposed by Chamorro and Pérez, in which new terms to correct the frozen molecular orbital approximation have been introduced (improved frontier molecular orbital approximation). The changes performed on the original development allow taking into account the orbital relaxation effects, providing equivalent results to those achieved by the finite difference approximation and leading also to a methodology with great advantages. Local reactivity indices based on this new development have been obtained for a sample set of molecules and they have been compared with those indices based on the frontier molecular orbital and finite difference approximations. A new definition based on the improved frontier molecular orbital methodology for the dual descriptor index is also shown. In addition, taking advantage of the characteristics of the definitions obtained with the new condensation scheme, the descriptor local philicity is analysed by separating the components corresponding to the frontier molecular orbital approximation and orbital relaxation effects, analysing also the local parameter multiphilic descriptor in the same way. Finally, the effect of using the basis set is studied and calculations using DFT, CI and Möller-Plesset methodologies are performed to analyse the consequence of different electronic-correlation levels.

The NASA-Ames Research Center stratospheric aerosol model. 2. Sensitivity studies and comparison with observatories

NASA Technical Reports Server (NTRS)

Toon, O. B.; Turco, R. P.; Hamill, P.; Kiang, C. S.; Whitten, R. C.

1979-01-01

Sensitivity tests were performed on a one-dimensional, physical-chemical model of the unperturbed stratospheric aerosols, and model calculations were compared with observations. The tests and comparisons suggest that coagulation controls the particle number mixing ratio, although the number of condensation nuclei at the tropopause and the diffusion coefficient at high altitudes are also important. The sulfur gas source strength and the aerosol residence time are much more important than the supply of condensation nuclei in establishing mass and large particle concentrations. The particle size is also controlled mainly by gas supply and residence time. In situ observations of the aerosols and laboratory measurements of aerosols, parameters that can provide further information about the physics and chemistry of the stratosphere and the aerosols found there are provided.

Large-Scale Hybrid Density Functional Theory Calculations in the Condensed-Phase: Ab Initio Molecular Dynamics in the Isobaric-Isothermal Ensemble

NASA Astrophysics Data System (ADS)

Ko, Hsin-Yu; Santra, Biswajit; Distasio, Robert A., Jr.; Wu, Xifan; Car, Roberto

Hybrid functionals are known to alleviate the self-interaction error in density functional theory (DFT) and provide a more accurate description of the electronic structure of molecules and materials. However, hybrid DFT in the condensed-phase has a prohibitively high associated computational cost which limits their applicability to large systems of interest. In this work, we present a general-purpose order(N) implementation of hybrid DFT in the condensed-phase using Maximally localized Wannier function; this implementation is optimized for massively parallel computing architectures. This algorithm is used to perform large-scale ab initio molecular dynamics simulations of liquid water, ice, and aqueous ionic solutions. We have performed simulations in the isothermal-isobaric ensemble to quantify the effects of exact exchange on the equilibrium density properties of water at different thermodynamic conditions. We find that the anomalous density difference between ice I h and liquid water at ambient conditions as well as the enthalpy differences between ice I h, II, and III phases at the experimental triple point (238 K and 20 Kbar) are significantly improved using hybrid DFT over previous estimates using the lower rungs of DFT This work has been supported by the Department of Energy under Grants No. DE-FG02-05ER46201 and DE-SC0008626.

Calculation of background effects on the VESUVIO eV neutron spectrometer

NASA Astrophysics Data System (ADS)

Mayers, J.

2011-01-01

The VESUVIO spectrometer at the ISIS pulsed neutron source measures the momentum distribution n(p) of atoms by 'neutron Compton scattering' (NCS). Measurements of n(p) provide a unique window into the quantum behaviour of atomic nuclei in condensed matter systems. The VESUVIO 6Li-doped neutron detectors at forward scattering angles were replaced in February 2008 by yttrium aluminium perovskite (YAP)-doped γ-ray detectors. This paper compares the performance of the two detection systems. It is shown that the YAP detectors provide a much superior resolution and general performance, but suffer from a sample-dependent gamma background. This report details how this background can be calculated and data corrected. Calculation is compared with data for two different instrument geometries. Corrected and uncorrected data are also compared for the current instrument geometry. Some indications of how the gamma background can be reduced are also given.

Kinetic and Mechanistic Examination of Acid–Base Bifunctional Aminosilica Catalysts in Aldol and Nitroaldol Condensations

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

Collier, Virginia E.; Ellebracht, Nathan C.; Lindy, George I.

The kinetic and mechanistic understanding of cooperatively catalyzed aldol and nitroaldol condensations is probed using a series of mesoporous silicas functionalized with aminosilanes to provide bifunctional acid–base character. Mechanistically, a Hammett analysis is performed to determine the effects of electron-donating and electron-withdrawing groups of para-substituted benzaldehyde derivatives on the catalytic activity of each condensation reaction. This information is also used to discuss the validity of previously proposed catalytic mechanisms and to propose a revised mechanism with plausible reaction intermediates. For both reactions, electron-withdrawing groups increase the observed rates of reaction, though resonance effects play an important, yet subtle, role inmore » the nitroaldol condensation, in which a p-methoxy electron-donating group is also able to stabilize the proposed carbocation intermediate. Additionally, activation energies and pre-exponential factors are calculated via the Arrhenius analysis of two catalysts with similar amine loadings: one catalyst had silanols available for cooperative interactions (acid–base catalysis), while the other was treated with a silanol-capping reagent to prevent such cooperativity (base-only catalysis). The values obtained for activation energies and pre-exponential factors in each reaction are discussed in the context of the proposed mechanisms and the importance of cooperative interactions in each reaction. The catalytic activity decreases for all reactions when the silanols are capped with trimethylsilyl groups, and higher temperatures are required to make accurate rate measurements, emphasizing the vital role the weakly acidic silanols play in the catalytic cycles. The results indicate that loss of acid sites is more detrimental to the catalytic activity of the aldol condensation than the nitroaldol condensation, as evidenced by the significant decrease in the pre-exponential factor for the aldol condensation when silanols are unavailable for cooperative interactions. Cooperative catalysis is evidenced by significant changes in the pre-exponential factor, rather than the activation energy for the aldol condensation.« less

Kinetic and Mechanistic Examination of Acid–Base Bifunctional Aminosilica Catalysts in Aldol and Nitroaldol Condensations

DOE PAGES

Collier, Virginia E.; Ellebracht, Nathan C.; Lindy, George I.; ...

2015-12-09

The kinetic and mechanistic understanding of cooperatively catalyzed aldol and nitroaldol condensations is probed using a series of mesoporous silicas functionalized with aminosilanes to provide bifunctional acid–base character. Mechanistically, a Hammett analysis is performed to determine the effects of electron-donating and electron-withdrawing groups of para-substituted benzaldehyde derivatives on the catalytic activity of each condensation reaction. This information is also used to discuss the validity of previously proposed catalytic mechanisms and to propose a revised mechanism with plausible reaction intermediates. For both reactions, electron-withdrawing groups increase the observed rates of reaction, though resonance effects play an important, yet subtle, role inmore » the nitroaldol condensation, in which a p-methoxy electron-donating group is also able to stabilize the proposed carbocation intermediate. Additionally, activation energies and pre-exponential factors are calculated via the Arrhenius analysis of two catalysts with similar amine loadings: one catalyst had silanols available for cooperative interactions (acid–base catalysis), while the other was treated with a silanol-capping reagent to prevent such cooperativity (base-only catalysis). The values obtained for activation energies and pre-exponential factors in each reaction are discussed in the context of the proposed mechanisms and the importance of cooperative interactions in each reaction. The catalytic activity decreases for all reactions when the silanols are capped with trimethylsilyl groups, and higher temperatures are required to make accurate rate measurements, emphasizing the vital role the weakly acidic silanols play in the catalytic cycles. The results indicate that loss of acid sites is more detrimental to the catalytic activity of the aldol condensation than the nitroaldol condensation, as evidenced by the significant decrease in the pre-exponential factor for the aldol condensation when silanols are unavailable for cooperative interactions. Cooperative catalysis is evidenced by significant changes in the pre-exponential factor, rather than the activation energy for the aldol condensation.« less

A Unique Supernova Graphite: Contemporaneous Condensation of All Things Carbonaceous

NASA Astrophysics Data System (ADS)

Croat, T. K.; Jadhav, M.; Lebsack, E.; Bernatowicz, T. J.

2011-03-01

We report a supernova graphite that contains internal subgrains of TiC, SiC, Fe and Ni silicides, and iron metal. These phases comprise a complete list of the phases predicted by equilibrium calculations to condense from C-rich supernova zones.

40 CFR 63.8050 - How do I comply with emissions averaging for stationary process vessels at existing sources?

Code of Federal Regulations, 2010 CFR

2010-07-01

... individual condensable compounds in the emission stream calculated using Raoult's Law or other appropriate... Equation 12 of 40 CFR part 63, subpart GGG Vi sat=volumetric flowrate of condensable compounds in the...

Interfacial condensation induced by sub-cooled liquid jet

NASA Astrophysics Data System (ADS)

Rame, Enrique; Balasubramaniam, R.

2016-11-01

When a sub-cooled liquid jet impinges on the free surface between a liquid and its vapor, vapor will condense at a rate dependent on the sub-cooling, the jet strength and fluid properties. In 1966 and during the examination of a different type of condensation flow, Shekriladeze found an approximate result, valid at large condensation rates, that decouples the flow in the liquid phase from that of the vapor, without putting it in the context of a formal asymptotic approximation. In this talk we will develop an asymptotic approximation that contains Shekriladze's result, and extend the calculations to the case when a non-condensable gas is present in the vapor phase.

Modeling the Phase Composition of Gas Condensate in Pipelines

NASA Astrophysics Data System (ADS)

Dudin, S. M.; Zemenkov, Yu D.; Shabarov, A. B.

2016-10-01

Gas condensate fields demonstrate a number of thermodynamic characteristics to be considered when they are developed, as well as when gas condensate is transported and processed. A complicated phase behavior of the gas condensate system, as well as the dependence of the extracted raw materials on the phase state of the deposit other conditions being equal, is a key aspect. Therefore, when designing gas condensate lines the crucial task is to select the most appropriate methods of calculating thermophysical properties and phase equilibrium of the transported gas condensate. The paper describes a physical-mathematical model of a gas-liquid flow in the gas condensate line. It was developed based on balance equations of conservation of mass, impulse and energy of the transported medium within the framework of a quasi-1D approach. Constitutive relationships are given separately, and practical recommendations on how to apply the research results are provided as well.

Field tests of 2- and 40-tube condensers at the East Mesa Geothermal Test Site

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

Murphy, R.W.; Domingo, N.

1982-05-01

Two water-cooled isobutane condensers, one with 2 tubes and one with 40 tubes, were subjected to field tests at the East Mesa Geothermal Test Site to assess relative heat transfer performance in both surface evaporator and direct-contact evaporator modes. The five groups of tests established that field performance was below earlier laboratory-determined levels and that direct-contact evaporator mode performance was poorer than that for the surface evaporator mode. In all test situations, fluted condenser tubes performed better than smooth condenser tubes. Cooling water quality had no significant effect on performance, but brine preflash in the direct-contact mode did promote somemore » relative performance improvement. Important implications of these results for binary geothermal power plants are that (1) working-fluid-side impurities can significantly degrade heat transfer performance of the power plant condensers and (2) provisions for minimizing such impurities may be required.« less

Liquid-Infused Smooth Surface for Improved Condensation Heat Transfer.

PubMed

Tsuchiya, Hirotaka; Tenjimbayashi, Mizuki; Moriya, Takeo; Yoshikawa, Ryohei; Sasaki, Kaichi; Togasawa, Ryo; Yamazaki, Taku; Manabe, Kengo; Shiratori, Seimei

2017-09-12

Control of vapor condensation properties is a promising approach to manage a crucial part of energy infrastructure conditions. Heat transfer by vapor condensation on superhydrophobic coatings has garnered attention, because dropwise condensation on superhydrophobic surfaces with rough structures leads to favorable heat-transfer performance. However, pinned condensed water droplets within the rough structure and a high thermodynamic energy barrier for nucleation of superhydrophobic surfaces limit their heat-transfer increase. Recently, slippery liquid-infused surfaces (SLIPS) have been investigated, because of their high water sliding ability and surface smoothness originating from the liquid layer. However, even on SLIPS, condensed water droplets are eventually pinned to degrade their heat-transfer properties after extended use, because the rough base layer is exposed as infused liquid is lost. Herein, we report a liquid-infused smooth surface named "SPLASH" (surface with π electron interaction liquid adsorption, smoothness, and hydrophobicity) to overcome the problems derived from the rough structures in previous approaches to obtain stable, high heat-transfer performance. The SPLASH displayed a maximum condensation heat-transfer coefficient that was 175% higher than that of an uncoated substrate. The SPLASH also showed higher heat-transfer performance and more stable dropwise condensation than superhydrophobic surfaces and SLIPS from the viewpoints of condensed water droplet mobility and the thermodynamic energy barrier for nucleation. The effects of liquid-infused surface roughness and liquid viscosity on condensation heat transfer were investigated to compare heat-transfer performance. This research will aid industrial applications using vapor condensation.

A Comparison of the Tube-Side Performance of Enhanced Heat Transfer Tubing for Naval Condensers.

DTIC Science & Technology

1982-12-01

AD-A126 938 A COMPARISON OF THE TUBE-SIDE PERFORMANCE OF ENHANCEDAD 12693! HEAT TRANSFER TUBING FOR NAVAL CONDENSERS U) NAVAL POSTGRADUATE SCHOOD...COMPARISON OF THE TUBE-SIDE PERFORMANCE OF ENHANCED HEAT TRANSFER TUBING FOR NAVAL CONDENSERS by Ronald Keith Alexander December 1982 Thesis Advisor: P. J...Comparison of the Tube-Side Master’s Thesis Performance of Enhanced Heat Transfer Pma""nG kpA lne Tubing for Naval Condensers ~PU~UN 4 iotwug 1. AU Y..NW41 6

Development and Evaluation of a Sandia Cooler-based Refrigerator Condenser

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

Johnson, Terry A.; Kariya, Harumichi Arthur; Leick, Michael T.

This report describes the first design of a refrigerator condenser using the Sandia Cooler, i.e. air - bearing supported rotating heat - sink impeller. The project included ba seline performance testing of a residential refrigerator, analysis and design development of a Sandia Cooler condenser assembly including a spiral channel baseplate, and performance measurement and validation of this condenser system as incorporated into the residential refrigerator. Comparable performance was achieved in a 60% smaller volume package. The improved modeling parameters can now be used to guide more optimized designs and more accurately predict performance.

On Localized Vapor Pressure Gradients Governing Condensation and Frost Phenomena.

PubMed

Nath, Saurabh; Boreyko, Jonathan B

2016-08-23

Interdroplet vapor pressure gradients are the driving mechanism for several phase-change phenomena such as condensation dry zones, interdroplet ice bridging, dry zones around ice, and frost halos. Despite the fundamental nature of the underlying pressure gradients, the majority of studies on these emerging phenomena have been primarily empirical. Using classical nucleation theory and Becker-Döring embryo formation kinetics, here we calculate the pressure field for all possible modes of condensation and desublimation in order to gain fundamental insight into how pressure gradients govern the behavior of dry zones, condensation frosting, and frost halos. Our findings reveal that in a variety of phase-change systems the thermodynamically favorable mode of nucleation can switch between condensation and desublimation depending upon the temperature and wettability of the surface. The calculated pressure field is used to model the length of a dry zone around liquid or ice droplets over a broad parameter space. The long-standing question of whether the vapor pressure at the interface of growing frost is saturated or supersaturated is resolved by considering the kinetics of interdroplet ice bridging. Finally, on the basis of theoretical calculations, we propose that there exists a new mode of frost halo that is yet to be experimentally observed; a bimodal phase map is developed, demonstrating its dependence on the temperature and wettability of the underlying substrate. We hope that the model and predictions contained herein will assist future efforts to exploit localized vapor pressure gradients for the design of spatially controlled or antifrosting phase-change systems.

Identification and Characterization of Visible Absorption Components in Aqueous Methylglyoxal-Ammonium Sulfate Mixtures

NASA Astrophysics Data System (ADS)

McGivern, W. S.; Allison, T. C.; Radney, J. G.; Zangmeister, C. D.

2014-12-01

The aqueous reaction of methylglyoxal (MG) with ammonium sulfate has been suggested as a source of atmospheric ``brown carbon.'' We have utilized high-performance liquid chromatography coupled to ultraviolet-visible spectroscopy and tandem mass spectrometry to study the products of this reaction at high concentrations. The overall product spectrum shows a large number of distinct components; however, the visible absorption from this mixture is derived a very small number of components. The largest contributor is an imine-substituted (C=N-H) product of aldol condensation/facile dehydration reaction between the parent MG and a hydrated product of the MG + ammonia reaction. The asymmetric nature of this compound relative to the aldol condensation of two MG results in a sufficiently large redshift of the UV absorption spectrum that absorption of visible radiation can occur in the long-wavelength tail. The simplicity of the imine products is a result of a strong bias toward ketimine products due to the extensive hydration of the aldehydic moiety in the parent in aqueous solution. In addition, a strong pH dependence of the absorption cross section was observed with significantly greater absorption under more basic conditions. We have performed time-dependent density functional theory calculations to evaluate the absorption spectra of all of the possible condensation products and their respective ions, and the results are consistent with the experimental observations. We have also observed smaller concentrations of other condensation products of the imine-substituted parent species that do not contribute significantly to the visible absorption but have not been previously discussed.

Distribution of eigenfrequencies for oscillations of the ground state in the Thomas-Fermi limit

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

Kevrekidis, P. G.; Pelinovsky, D. E.

In this work, we present a systematic derivation of the distribution of eigenfrequencies for oscillations of the ground state of a repulsive Bose-Einstein condensate in the semi-classical (Thomas-Fermi) limit. Our calculations are performed in one, two, and three-dimensional settings. Connections with the earlier work of Stringari, with numerical computations, and with theoretical expectations for invariant frequencies based on symmetry principles are also given.

Clouds Composition in Super-Earth Atmospheres: Chemical Equilibrium Calculations

NASA Astrophysics Data System (ADS)

Kempton, Eliza M.-R.; Mbarek, Rostom

2015-12-01

Attempts to determine the composition of super-Earth atmospheres have so far been plagued by the presence of clouds. Yet the theoretical framework to understand these clouds is still in its infancy. For the super-Earth archetype GJ 1214b, KCl, Na2S, and ZnS have been proposed as condensates that would form under the condition of chemical equilibrium, if the planet’s atmosphere has a bulk composition near solar. Condensation chemistry calculations have not been presented for a wider range of atmospheric bulk composition that is to be expected for super-Earth exoplanets. Here we provide a theoretical context for the formation of super-Earth clouds in atmospheres of varied composition by determining which condensates are likely to form, under the assumption of chemical equilibrium. We model super-Earth atmospheres assuming they are formed by degassing of volatiles from a solid planetary core of chondritic material. Given the atomic makeup of these atmospheres, we minimize the global Gibbs free energy of over 550 gases and condensates to obtain the molecular composition of the atmospheres over a temperature range of 350-3,000 K. Clouds should form along the temperature-pressure boundaries where the condensed species appear in our calculations. The super-Earth atmospheres that we study range from highly reducing to oxidizing and have carbon to oxygen (C:O) ratios that are both sub-solar and super-solar, thereby spanning a diverse range of atmospheric composition that is appropriate for low-mass exoplanets. Some condensates appear across all of our models. However, the majority of condensed species appear only over specific ranges of H:O and C:O ratios. We find that for GJ 1214b, KCl is the primary cloud-forming condensate at solar composition, in agreement with previous work. However, for oxidizing atmospheres, where H:O is less than unity, K2SO4 clouds form instead. For carbon-rich atmospheres with super-solar C:O ratios, graphite clouds additionally appear. At higher temperatures, clouds are formed from a variety of materials including metals, metal oxides, and aluminosilicates.

Bogoliubov theory of acoustic Hawking radiation in Bose-Einstein condensates

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

Recati, A.; Physik-Department, Technische Universitaet Muenchen, D-85748 Garching; Pavloff, N.

2009-10-15

We apply the microscopic Bogoliubov theory of dilute Bose-Einstein condensates to analyze quantum and thermal fluctuations in a flowing atomic condensate in the presence of a sonic horizon. For the simplest case of a step-like horizon, closed-form analytical expressions are found for the spectral distribution of the analog Hawking radiation and for the density correlation function. The peculiar long-distance density correlations that appear as a consequence of the Hawking emission features turns out to be reinforced by a finite initial temperature of the condensate. The analytical results are in good quantitative agreement with first principle numerical calculations.

Pair-correlation function of a metastable helium Bose-Einstein condensate

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

Zin, Pawel; Trippenbach, Marek; Gajda, Mariusz

2004-02-01

The pair-correlation function is one of the basic quantities to characterize the coherence properties of a Bose-Einstein condensate. We calculate this function in the experimentally important case of a zero temperature Bose-Einstein condensate in a metastable triplet helium state using the variational method with a pair-excitation ansatz. We compare our result with a pair-correlation function obtained for the hard-sphere potential with the same scattering length. Both functions are practically indistinguishable for distances greater than the scattering length. At smaller distances, due to interatomic interactions, the helium condensate shows strong correlations.

Investigation of Bose Condensation in Ideal Bose Gas Trapped under Generic Power Law Potential in d Dimension

NASA Astrophysics Data System (ADS)

Mehedi Faruk, Mir; Sazzad Hossain, Md.; Muktadir Rahman, Md.

2016-02-01

The changes in characteristics of Bose condensation of ideal Bose gas due to an external generic power law potential U=\\sumi=1dci\\vert xi/ai\\vertni are studied carefully. Detailed calculation of Kim et al. (J. Phys. Condens. Matter 11 (1999) 10269) yielded the hierarchy of condensation transitions with changing fractional dimensionality. In this manuscript, some theorems regarding specific heat at constant volume CV are presented. Careful examination of these theorems reveal the existence of hidden hierarchy of the condensation transition in trapped systems as well.

GW/Bethe-Salpeter calculations for charged and model systems from real-space DFT

NASA Astrophysics Data System (ADS)

Strubbe, David A.

GW and Bethe-Salpeter (GW/BSE) calculations use mean-field input from density-functional theory (DFT) calculations to compute excited states of a condensed-matter system. Many parts of a GW/BSE calculation are efficiently performed in a plane-wave basis, and extensive effort has gone into optimizing and parallelizing plane-wave GW/BSE codes for large-scale computations. Most straightforwardly, plane-wave DFT can be used as a starting point, but real-space DFT is also an attractive starting point: it is systematically convergeable like plane waves, can take advantage of efficient domain parallelization for large systems, and is well suited physically for finite and especially charged systems. The flexibility of a real-space grid also allows convenient calculations on non-atomic model systems. I will discuss the interfacing of a real-space (TD)DFT code (Octopus, www.tddft.org/programs/octopus) with a plane-wave GW/BSE code (BerkeleyGW, www.berkeleygw.org), consider performance issues and accuracy, and present some applications to simple and paradigmatic systems that illuminate fundamental properties of these approximations in many-body perturbation theory.

Performance Evaluation of the International Space Station Flow Boiling and Condensation Experiment (FBCE) Test Facility

NASA Technical Reports Server (NTRS)

Hasan, Mohammad; Balasubramaniam, R.; Nahra, Henry; Mackey, Jeff; Hall, Nancy; Frankenfield, Bruce; Harpster, George; May, Rochelle; Mudawar, Issam; Kharangate, Chirag R.;

One-dimensional thermohydraulic code THESEUS and its application to chilldown process simulation in two-phase hydrogen flows

NASA Astrophysics Data System (ADS)

Papadimitriou, P.; Skorek, T.

THESUS is a thermohydraulic code for the calculation of steady state and transient processes of two-phase cryogenic flows. The physical model is based on four conservation equations with separate liquid and gas phase mass conservation equations. The thermohydraulic non-equilibrium is calculated by means of evaporation and condensation models. The mechanical non-equilibrium is modeled by a full-range drift-flux model. Also heat conduction in solid structures and heat exchange for the full spectrum of heat transfer regimes can be simulated. Test analyses of two-channel chilldown experiments and comparisons with the measured data have been performed.

Stability and Metastability of Trapless Bose-Einstein Condensates and Quantum Liquids

NASA Astrophysics Data System (ADS)

Zloshchastiev, Konstantin G.

2017-07-01

Various kinds of Bose-Einstein condensates are considered, which evolve without any geometric constraints or external trap potentials including gravitational. For studies of their collective oscillations and stability, including the metastability and macroscopic tunneling phenomena, both the variational approach and the Vakhitov-Kolokolov (VK) criterion are employed; calculations are done for condensates of an arbitrary spatial dimension. It is determined that that the trapless condensate described by the logarithmic wave equation is essentially stable, regardless of its dimensionality, while the trapless condensates described by wave equations of a polynomial type with respect to the wavefunction, such as the Gross-Pitaevskii (cubic), cubic-quintic, and so on, are at best metastable. This means that trapless "polynomial" condensates are unstable against spontaneous delocalization caused by fluctuations of their width, density and energy, leading to a finite lifetime.

Methodology for calculating the volume of condensate droplets on topographically modified, microgrooved surfaces.

PubMed

Sommers, A D

2011-05-03

Liquid droplets on micropatterned surfaces consisting of parallel grooves tens of micrometers in width and depth are considered, and a method for calculating the droplet volume on these surfaces is presented. This model, which utilizes the elongated and parallel-sided nature of droplets condensed on these microgrooved surfaces, requires inputs from two droplet images at ϕ = 0° and ϕ = 90°--namely, the droplet major axis, minor axis, height, and two contact angles. In this method, a circular cross-sectional area is extruded the length of the droplet where the chord of the extruded circle is fixed by the width of the droplet. The maximum apparent contact angle is assumed to occur along the side of the droplet because of the surface energy barrier to wetting imposed by the grooves--a behavior that was observed experimentally. When applied to water droplets condensed onto a microgrooved aluminum surface, this method was shown to calculate the actual droplet volume to within 10% for 88% of the droplets analyzed. This method is useful for estimating the volume of retained droplets on topographically modified, anisotropic surfaces where both heat and mass transfer occur and the surface microchannels are aligned parallel to gravity to assist in condensate drainage.

Flow condensation on copper-based nanotextured superhydrophobic surfaces.

PubMed

Torresin, Daniele; Tiwari, Manish K; Del Col, Davide; Poulikakos, Dimos

2013-01-15

Superhydrophobic surfaces have shown excellent ability to promote dropwise condensation with high droplet mobility, leading to enhanced surface thermal transport. To date, however, it is unclear how superhydrophobic surfaces would perform under the stringent flow condensation conditions of saturated vapor at high temperature, which can affect superhydrophobicity. Here, we investigate this issue employing "all-copper" superhydrophobic surfaces with controlled nanostructuring for minimal thermal resistance. Flow condensation tests performed with saturated vapor at a high temperature (110 °C) showed the condensing drops penetrate the surface texture (i.e., attain the Wenzel state with lower droplet mobility). At the same time, the vapor shear helped ameliorate the mobility and enhanced the thermal transport. At the high end of the examined vapor velocity range, a heat flux of ~600 kW m(-2) was measured at 10 K subcooling and 18 m s(-1) vapor velocity. This clearly highlights the excellent potential of a nanostructured superhydrophobic surface in flow condensation applications. The surfaces sustained dropwise condensation and vapor shear for five days, following which mechanical degradation caused a transition to filmwise condensation. Overall, our results underscore the need to investigate superhydrophobic surfaces under stringent and realistic flow condensation conditions before drawing conclusions regarding their performance in practically relevant condensation applications.

Synthesis, DFT calculations, electronic structure, electronic absorption spectra, natural bond orbital (NBO) and nonlinear optical (NLO) analysis of the novel 5-methyl-8H-benzo[h]chromeno[2,3-b][1,6] naphthyridine-6(5H),8-dione (MBCND)

NASA Astrophysics Data System (ADS)

Halim, Shimaa Abdel; Ibrahim, Magdy A.

2017-02-01

New derivative of heteroannulated chromone identified as 5-methyl-8H-benzo[h]chromeno[2,3-b][1,6]naphthyridine-6(5H),8-dione (5, MBCND) was easily and efficiently synthesized from DBU catalyzed condensation reaction of 2-aminochromone-3-carboxaldehyde (1) with 4-hydroxy-1-methylquinolin-2(1H)-one (2). The same product 5 was isolated from condensation reaction of aldeyde 1 with 3-(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-oxopropanoic acid (3) or ethyl 4-(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-2,4-dioxobutanoate (4). Structure of compound (5, MBCND) was deduced based on their elemental analyses and spectral data (IR, 1H NMR and mass spectra). Density Functional Theory (DFT) calculations at the B3LYP/6-311G (d,p) level of theory have been carried out to investigate the equilibrium geometry of the novel compound (5, MBCND). Moreover, total energy, energy of HOMO and LUMO and Mullikan atomic charges were calculated. In addition, the dipole moment, theoretical study of the electronic structure, nonlinear optical properties (NLO), and natural bonding orbital (NBO) analysis and orientation have been performed and discussed. Also the electronic absorption spectra were measured in polar (methanol) as well as non polar (dioxane) solvents and the assignment of the observed bands has been discussed by TD-DFT calculations. The correspondences between calculated and experimental transitions energies are satisfactory.

Utilization of air conditioner condenser as water heater in an effort to energy conservation

NASA Astrophysics Data System (ADS)

Sonawan, Hery; Saputro, Panji; Kurniawan, Iden Muhtar

2018-04-01

This paper presents an experimental study of utilization of air conditioner condenser as water heater. Modification of existing air conditioner system is an effort to harvest waste heat energy from condenser. Modification is conducted in order to test the system into two mode tests, first mode with one condenser and second mode with two condensers. Harvesting the waste heat from condenser needs a theoretical and practice study to see how much the AC performance changes if modifications are made. It should also be considered how the technique of harvesting waste heat for water heating purposes. From the problem, this paper presents a comparison between AC performance before and after modification. From the experiment, an increase in compressor power consumption is 4.3% after adding a new condenser. The hot water temperature is attained to 69 °C and ready for warm bath. The increase in power consumption is not too significant compared to the attainable hot water temperature. Also seen that the value of condenser Performance Factor increase from 5.8 to 6.25 or by 7.8%.

Thermal Decomposition Mechanisms of Alkylimidazolium Ionic Liquids with CN-containing Anions

DTIC Science & Technology

2014-11-01

anion calculated at the M06/6-31+G(d,p) level of theory and using the generic ionic liquid (GIL) model to simulate the condensed phase methyl...decomposition mechanisms of alkylimidazolium ionic liquids with CN-containing anions 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d...perform, display, or disclose the work. 14. ABSTRACT Due to the unusually high heats of vaporization of room-temperature ionic liquids (RTILs

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.

Polariton condensation with saturable molecules dressed by vibrational modes

DOE PAGES

Cwik, Justyna A.; Reja, Sahinur; Littlewood, Peter B.; ...

2014-02-01

Here, polaritons, mixed light-matter quasiparticles, undergo a transition to a condensed, macroscopically coherent state at low temperatures or high densities. Recent experiments show that coupling light to organic molecules inside a microcavity allows condensation at room temperature. The molecules act as saturable absorbers with transitions dressed by molecular vibrational modes. Motivated by this, we calculate the phase diagram and spectrum of a modified Tavis-Cummings model, describing vibrationally dressed two-level systems, coupled to a cavity mode. Coupling to vibrational modes can induce re-entrance, i.e. a normal-condensed-normal sequence with decreasing temperature and can drive the transition first-order.

The quark condensate in multi-flavour QCD – planar equivalence confronting lattice simulations

DOE PAGES

Armoni, Adi; Shifman, Mikhail; Shore, Graham; ...

2015-02-01

Planar equivalence between the large N limits of N=1 Super Yang–Mills (SYM) theory and a variant of QCD with fermions in the antisymmetric representation is a powerful tool to obtain analytic non-perturbative results in QCD itself. In particular, it allows the quark condensate for N=3 QCD with quarks in the fundamental representation to be inferred from exact calculations of the gluino condensate in N=1 SYM. In this paper, we review and refine our earlier predictions for the quark condensate in QCD with a general number nf of flavours and confront these with lattice results.

Maxwell's Demon at work: Two types of Bose condensate fluctuations in power-law traps.

PubMed

Grossmann, S; Holthaus, M

1997-11-10

After discussing the idea underlying the Maxwell's Demon ensemble, we employ this ensemble for calculating fluctuations of ideal Bose gas condensates in traps with power-law single-particle energy spectra. Two essentially different cases have to be distinguished. If the heat capacity is continuous at the condensation point, the fluctuations of the number of condensate particles vanish linearly with temperature, independent of the trap characteristics. In this case, microcanonical and canonical fluctuations are practically indistinguishable. If the heat capacity is discontinuous, the fluctuations vanish algebraically with temperature, with an exponent determined by the trap, and the micro-canonical fluctuations are lower than their canonical counterparts.

Behaviour of Rotating Bose Einstein Condensates Under Shrinking

NASA Astrophysics Data System (ADS)

Zhai, Hui; Zhou, Qi

2005-01-01

When the repulsive interaction strength between atoms decreases, the size of a rotating Bose-Einstein condensate will consequently shrink. We find that the rotational frequency will increase during the shrinking of condensate, which is a quantum mechanical analogy to ballet dancing. Compared to a non-rotating condensate, the size of a rotating BEC will eventually be saturated at a finite value when the interaction strength is gradually reduced. We also calculate the vortex dynamics induced by the atomic current, and discuss the difference of vortex dynamics in this case and that observed in a recent experiment carried out by the JILA group [Phys. Rev. Lett. 90 (2003) 170405].

PERVAPORATION SEPARATION IMPROVEMENTS VIA FRACTIONAL CONDENSATION (DEPHLEGMATION): IMPACT OF DEPHLEGMATOR DESIGN ON PERFORMANCE

EPA Science Inventory

Traditionally, pervaporation systems have been operated using a total condenser to deliver the final permeate liquid product. Over the past two years, we have investigated the use of a condensation process called "dephlegmation" to enhance the separation performance of pervapora...

An easily implemented static condensation method for structural sensitivity analysis

NASA Technical Reports Server (NTRS)

Gangadharan, S. N.; Haftka, R. T.; Nikolaidis, E.

1990-01-01

A black-box approach to static condensation for sensitivity analysis is presented with illustrative examples of a cube and a car structure. The sensitivity of the structural response with respect to joint stiffness parameter is calculated using the direct method, forward-difference, and central-difference schemes. The efficiency of the various methods for identifying joint stiffness parameters from measured static deflections of these structures is compared. The results indicate that the use of static condensation can reduce computation times significantly and the black-box approach is only slightly less efficient than the standard implementation of static condensation. The ease of implementation of the black-box approach recommends it for use with general-purpose finite element codes that do not have a built-in facility for static condensation.

Thermodynamic properties of gas-condensate system with abnormally high content of heavy hydrocarbons

NASA Astrophysics Data System (ADS)

Zanochuev, S. A.; Shabarov, A. B.; Podorozhnikov, S. Yu; Zakharov, A. A.

2018-05-01

Gas-condensate systems (GCS) with an abnormally high content of heavy hydrocarbons are characterized by a sharp change in both phase and component compositions with an insignificant decrease in pressure below the start pressure of the phase transitions (the beginning of condensation). Calculation methods for describing the phase behavior of such systems are very sensitive to the quality of the initial information. The uncertainty of the input data leads not only to significant errors in the forecast of phase compositions, but also to an incorrect phase state estimation of the whole system. The research presents the experimental thermodynamic parameters of the GCS of the BT reservoirs on the Beregovoye field, obtained at the phase equilibrium facility. The data contribute to the adaptation of the calculated models of the phase behavior of the GCS with a change in pressure.

Acousto-exciton interaction in a gas of 2D indirect dipolar excitons in the presence of disorder

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

Kovalev, V. M.; Chaplik, A. V., E-mail: chaplik@isp.nsc.ru

2016-03-15

A theory for the linear and quadratic responses of a 2D gas of indirect dipolar excitons to an external surface acoustic wave perturbation in the presence of a static random potential is considered. The theory is constructed both for high temperatures, definitely greater than the exciton gas condensation temperature, and at zero temperature by taking into account the Bose–Einstein condensation effects. The particle Green functions, the density–density correlation function, and the quadratic response function are calculated by the “cross” diagram technique. The results obtained are used to calculate the absorption of Rayleigh surface waves and the acoustic exciton gas dragmore » by a Rayleigh wave. The damping of Bogoliubov excitations in an exciton condensate due to theirs scattering by a random potential has also been determined.« less

Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach

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

Duchemin, Ivan, E-mail: ivan.duchemin@cea.fr; Jacquemin, Denis; Institut Universitaire de France, 1 rue Descartes, 75005 Paris Cedex 5

We have implemented the polarizable continuum model within the framework of the many-body Green’s function GW formalism for the calculation of electron addition and removal energies in solution. The present formalism includes both ground-state and non-equilibrium polarization effects. In addition, the polarization energies are state-specific, allowing to obtain the bath-induced renormalisation energy of all occupied and virtual energy levels. Our implementation is validated by comparisons with ΔSCF calculations performed at both the density functional theory and coupled-cluster single and double levels for solvated nucleobases. The present study opens the way to GW and Bethe-Salpeter calculations in disordered condensed phases ofmore » interest in organic optoelectronics, wet chemistry, and biology.« less

Liquid phase evaporation on the normal shock wave in moist air transonic flows in nozzles

NASA Astrophysics Data System (ADS)

Dykas, Sławomir; Szymański, Artur; Majkut, Mirosław

2017-06-01

This paper presents a numerical analysis of the atmospheric air transonic flow through de Laval nozzles. By nature, atmospheric air always contains a certain amount of water vapor. The calculations were made using a Laval nozzle with a high expansion rate and a convergent-divergent (CD) "half-nozzle", referred to as a transonic diffuser, with a much slower expansion rate. The calculations were performed using an in-house CFD code. The computational model made it possible to simulate the formation of the liquid phase due to spontaneous condensation of water vapor contained in moist air. The transonic flow calculations also take account of the presence of a normal shock wave in the nozzle supersonic part to analyze the effect of the liquid phase evaporation.

Sauna, sweat and science - quantifying the proportion of condensation water versus sweat using a stable water isotope ((2)H/(1)H and (18)O/(16)O) tracer experiment.

PubMed

Zech, Michael; Bösel, Stefanie; Tuthorn, Mario; Benesch, Marianne; Dubbert, Maren; Cuntz, Matthias; Glaser, Bruno

2015-01-01

Most visitors of a sauna appreciate the heat pulse that is perceived when water is poured on the stones of a sauna stove. However, probably only few bathers are aware that this pleasant heat pulse is caused by latent heat being released onto our skin due to condensation of water vapour. In order to quantify the proportion of condensation water versus sweat to dripping water of test persons we conducted sauna experiments using isotopically labelled (δ(18)O and δ(2)H) thrown water as tracer. This allows differentiating between 'pure sweat' and 'condensation water'. Two ways of isotope mass balance calculations were applied and yielded similar results for both water isotopes. Accordingly, condensation contributed considerably to dripping water with mean proportions of 52 ± 12 and 54 ± 7% in a sauna experiment in winter semester 2011/12 and 30 ± 13 and 33 ± 6% in a sauna experiment in winter semester 2012/13, respectively, depending on the way of calculating the isotope mass balance. It can be concluded from the results of our dual isotope labelling sauna experiment that it is not all about sweat in the sauna.

New Wine in Old Flasks: A New Solution of the Clapeyron Equation

ERIC Educational Resources Information Center

Shilo, Doron; Ghez, Richard

2008-01-01

The coexisting equilibrium states between single-component gas and condensed phases (liquid or solid) are often calculated by assuming that the condensed phase's molar volume is negligible in comparison with the gas's. Here, we present an analytic solution of Clapeyron's equation when this assumption is relaxed. It differs substantially from…

Downhole measurements and fluid chemistry of a castle rock steam well, the Geysers, Lake County, California

USGS Publications Warehouse

Truesdell, A.H.; Nathenson, M.; Frye, G.A.

1981-01-01

Wellbore and reservoir processes in a steam well in the Castle Rock field of The Geysers have been studied by means of down-hole pressure and temperature measurements and analyses of ejected water and steam produced under bleed and full flow. Down-hole measurements show that below a vapor zone there is liquid water in the well in pressure equilibrium with reservoir steam at a depth of 2290 m. The progressive decreases, from 1973 to 1977, of pressure and temperature in the vapor zone indicate that wellbore heat loss is high enough to condense a large fraction of the steam inflow. The chemical composition of water ejected from the well is consistent with an origin from wellbore condensation of steam. Calculations using the differences in gas and isotopic compositions between bleed and full-flow steam show that about half of the full-flow steam originated as liquid water in the reservoir and that about 30% of the steam entering the well under bleed was condensed in the wellbore and drained downward. Heat loss calculations are also consistent with this amount of condensation. ?? 1981.

Numerical investigation of the droplet condensation on the horizontal surface with patterned wettability

NASA Astrophysics Data System (ADS)

Cho, Jaeyong; Lee, Joonsang

2017-11-01

The condensation is the one of the efficient heat transfer phenomenon that transfers the heat along an interface between two phases. This condensation is affected by the wettability of surface. Heat transfer rate can be improved by controlling the wettability of surface. Recently, the researches with patterned wettability, which is composed by a combination of hydrophilic and hydrophobic surface, have been performed to improve the heat transfer rate of condensation. In this study, we performed numerical simulation for condensation of droplet on the patterned wettability, and we analyze condensation phenomenon on the wettability pattered surface through the kinetic energy, heat flux curve, and droplet shape in the vicinity of the droplet. When we performed numerical simulations and analyzing the condensation with patterned wettability, we used the lattice Boltzmann method for the base model, and phase change was solved by Peng-Robinson equation of sate. We can find that the droplet is generated at the bottom surface and high condensation rate can be maintained on the patterned wettability. This work was also supported by the National Research Foundation of Korea (NRF) Grant funded by the Korean Government (MSIP) (No. 2015R1A5A1037668) and BrainKorea21plus.

Hypotheses of calculation of the water flow rate evaporated in a wet cooling tower

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

Bourillot, C.

1983-08-01

The method developed by Poppe at the University of Hannover to calculate the thermal performance of a wet cooling tower fill is presented. The formulation of Poppe is then validated using full-scale test data from a wet cooling tower at the power station at Neurath, Federal Republic of Germany. It is shown that the Poppe method predicts the evaporated water flow rate almost perfectly and the condensate content of the warm air with good accuracy over a wide range of ambient conditions. The simplifying assumptions of the Merkel theory are discussed, and the errors linked to these assumptions are systematicallymore » described, then illustrated with the test data.« less

Effect of halogenation on the nonlinear optical properties of porthyrin and substituted porphyrins

NASA Technical Reports Server (NTRS)

Cardelino, Beatriz H.; Moore, Craig E.; Benloss, Angela; Thompson, Albert N., Jr.; Richards, Rosalie A.; Roney, Celeste A.; Sanghadasa, Mohan

1998-01-01

The effect that fluorine and chlorine substitution has on the nonlinear optical properties of porphyrin, tetramethylporphyrin and tetraphenylporphyrin has been theoretically studied. The calculations of nonlinear optical properties have been obtained by performing finite-field calculations on structures determined by semiempirical methods. In addition, tetra(p-chlorophenyl)porphyrin and tetra(p-bromophenyl)porphyrin were synthesized by the condensation of pyrrol and the appropriate aldehyde. Thin films of polymethylmethacrylate were obtained containing these materials, by spin coating onto glass substrates. The films were characterized by third-harmonic generation. It was determined that the experimental conditions enhance the third-order polarizability of the tetraphenylporphyrins by a factor of about 1.6.

Dynamics in multiple-well Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Nigro, M.; Capuzzi, P.; Cataldo, H. M.; Jezek, D. M.

2018-01-01

We study the dynamics of three-dimensional weakly linked Bose-Einstein condensates using a multimode model with an effective interaction parameter. The system is confined by a ring-shaped four-well trapping potential. By constructing a two-mode Hamiltonian in a reduced highly symmetric phase space, we examine the periodic orbits and calculate their time periods both in the self-trapping and Josephson regimes. The dynamics in the vicinity of the reduced phase space is investigated by means of a Floquet multiplier analysis, finding regions of different linear stability and analyzing their implications on the exact dynamics. The numerical exploration in an extended region of the phase space demonstrates that two-mode tools can also be useful for performing a partition of the space in different regimes. Comparisons with Gross-Pitaevskii simulations confirm these findings and emphasize the importance of properly determining the effective on-site interaction parameter governing the multimode dynamics.

Design and test of a pumped two-phase mounting plate. [for spacecraft thermal control systems

NASA Technical Reports Server (NTRS)

Grote, M. G.; Swanson, T. D.

1985-01-01

The design, fabrication, and testing of the full-scale development unit of a pumped two-phase mounting plate (TPMP) used in advanced two-phase spacecraft thermal control systems are described. The mounting plate is tested with R-11 in the evaporator mode for total heat loads of over 3000 watts and local heat fluxes over 4 W/sq cm, and in the condenser mode with condenser loads from 60 to 400 watts and inlet qualities from 8 to 94 percent. The calculated heat-transfer coefficients are between 0.66 and 1.0 W/sq cm/C and are nearly independent of the flow rate and heat load except at very low heat loads. It is shown that the TPMP can be run with inlet conditions down to 22 C subcooling without any significant gradients in the plate and that it performs well with nonuniform heat fluxes.

Analysis of the thermal performance of heat pipe radiators

NASA Technical Reports Server (NTRS)

Boo, J. H.; Hartley, J. G.

1990-01-01

A comprehensive mathematical model and computational methodology are presented to obtain numerical solutions for the transient behavior of a heat pipe radiator in a space environment. The modeling is focused on a typical radiator panel having a long heat pipe at the center and two extended surfaces attached to opposing sides of the heat pipe shell in the condenser section. In the set of governing equations developed for the model, each region of the heat pipe - shell, liquid, and vapor - is thermally lumped to the extent possible, while the fin is lumped only in the direction normal to its surface. Convection is considered to be the only significant heat transfer mode in the vapor, and the evaporation and condensation velocity at the liquid-vapor interface is calculated from kinetic theory. A finite-difference numerical technique is used to predict the transient behavior of the entire radiator in response to changing loads.

Piezoresistive Soft Condensed Matter Sensor for Body-Mounted Vital Function Applications

PubMed Central

Melnykowycz, Mark; Tschudin, Michael; Clemens, Frank

2016-01-01

A soft condensed matter sensor (SCMS) designed to measure strains on the human body is presented. The hybrid material based on carbon black (CB) and a thermoplastic elastomer (TPE) was bonded to a textile elastic band and used as a sensor on the human wrist to measure hand motion by detecting the movement of tendons in the wrist. Additionally it was able to track the blood pulse wave of a person, allowing for the determination of pulse wave peaks corresponding to the systole and diastole blood pressures in order to calculate the heart rate. Sensor characterization was done using mechanical cycle testing, and the band sensor achieved a gauge factor of 4–6.3 while displaying low signal relaxation when held at a strain levels. Near-linear signal performance was displayed when loading to successively higher strain levels up to 50% strain. PMID:26959025

Piezoresistive Soft Condensed Matter Sensor for Body-Mounted Vital Function Applications.

PubMed

Melnykowycz, Mark; Tschudin, Michael; Clemens, Frank

2016-03-04

A soft condensed matter sensor (SCMS) designed to measure strains on the human body is presented. The hybrid material based on carbon black (CB) and a thermoplastic elastomer (TPE) was bonded to a textile elastic band and used as a sensor on the human wrist to measure hand motion by detecting the movement of tendons in the wrist. Additionally it was able to track the blood pulse wave of a person, allowing for the determination of pulse wave peaks corresponding to the systole and diastole blood pressures in order to calculate the heart rate. Sensor characterization was done using mechanical cycle testing, and the band sensor achieved a gauge factor of 4-6.3 while displaying low signal relaxation when held at a strain levels. Near-linear signal performance was displayed when loading to successively higher strain levels up to 50% strain.

Event-by-Event Simulations of Early Gluon Fields in High Energy Nuclear Collisions

NASA Astrophysics Data System (ADS)

Nickel, Matthew; Rose, Steven; Fries, Rainer

2017-09-01

Collisions of heavy ions are carried out at ultra relativistic speeds at the Relativistic Heavy Ion Collider and the Large Hadron Collider to create Quark Gluon Plasma. The earliest stages of such collisions are dominated by the dynamics of classical gluon fields. The McLerran-Venugopalan (MV) model of color glass condensate provides a model for this process. Previous research has provided an analytic solution for event averaged observables in the MV model. Using the High Performance Research Computing Center (HPRC) at Texas A&M, we have developed a C++ code to explicitly calculate the initial gluon fields and energy momentum tensor event by event using the analytic recursive solution. The code has been tested against previously known analytic results up to fourth order. We have also have been able to test the convergence of the recursive solution at high orders in time and studied the time evolution of color glass condensate.

A new approach for biological online testing of stack gas condensate from municipal waste incinerators.

PubMed

Elsner, Dorothea; Fomin, Anette

2002-01-01

A biological testing system for the monitoring of stack gas condensates of municipal waste incinerators has been developed using Euglena gracilis as a test organism. The motility, velocity and cellular form of the organisms were the endpoints, calculated by an image analysis system. All endpoints showed statistically significant changes in a short time when organisms were exposed to samples collected during combustion situations with increased pollutant concentrations. The velocity of the organisms proved to be the most appropriate endpoint. A semi-continuous system with E. gracilis for monitoring stack gas condensate is proposed, which could result in an online system for testing stack gas condensates in the future.

Combustion Of Metals In Reduced Gravity And Extraterrestrial Environments

NASA Technical Reports Server (NTRS)

Abbud-Madrid, A.; Modak, A.; Branch, M. C.

2003-01-01

The recent focus of this research project has been to model the combustion of isolated metal droplets and, in particular, to couple the existing theories and formulations of phenomena such as condensation, reaction kinetics, radiation, and surface reactions to formulate a more complete combustion model. A fully transient, one-dimensional (spherical symmetry) numerical model that uses detailed chemical kinetics, multi-component molecular transport mechanisms, condensation kinetics, and gas phase radiation heat transfer was developed. A coagulation model was used to simulate the particulate formation of MgO. The model was used to simulate the combustion of an Mg droplet in pure O2 and CO2. Methanol droplet combustion is considered as a test case for the solution method for both quasi-steady and fully transient simulations. Although some important processes unique to methanol combustion, such as water absorption at the surface, are not included in the model, the results are in sufficient agreement with the published data. Since the major part of the heat released in combustion of Mg, and in combustion of metals in general, is due to the condensation of the metal oxide, it is very important to capture the condensation processes correctly. Using the modified nucleation theory, an Arrhenius type rate expression is derived to calculate the condensation rate of MgO. This expression can be easily included in the CHEMKIN reaction mechanism format. Although very little property data is available for MgO, the condensation rate expression derived using the existing data is able to capture the condensation of MgO. An appropriate choice of the reference temperature to calculate the rate coefficients allows the model to correctly predict the subsequent heat release and hence the flame temperature.

Analysis of SRM model nozzle calibration test data in support of IA12B, IA12C and IA36 space shuttle launch vehicle aerodynamics tests

NASA Technical Reports Server (NTRS)

Baker, L. R., Jr.; Tevepaugh, J. A.; Penny, M. M.

1973-01-01

Variations of nozzle performance characteristics of the model nozzles used in the Space Shuttle IA12B, IA12C, IA36 power-on launch vehicle test series are shown by comparison between experimental and analytical data. The experimental data are nozzle wall pressure distributions and schlieren photographs of the exhaust plume shapes. The exhaust plume shapes were simulated experimentally with cold flow while the analytical data were generated using a method-of-characteristics solution. Exhaust plume boundaries, boundary shockwave locations and nozzle wall pressure measurements calculated analytically agree favorably with the experimental data from the IA12C and IA36 test series. For the IA12B test series condensation was suspected in the exhaust plumes at the higher pressure ratios required to simulate the prototype plume shapes. Nozzle calibration tests for the series were conducted at pressure ratios where condensation either did not occur or if present did not produce a noticeable effect on the plume shapes. However, at the pressure ratios required in the power-on launch vehicle tests condensation probably occurs and could significantly affect the exhaust plume shapes.

Microscopic droplet formation and energy transport analysis of condensation on scalable superhydrophobic nanostructured copper oxide surfaces.

PubMed

Li, GuanQiu; Alhosani, Mohamed H; Yuan, ShaoJun; Liu, HaoRan; Ghaferi, Amal Al; Zhang, TieJun

2014-12-09

Utilization of nanotechnologies in condensation has been recognized as one opportunity to improve the efficiency of large-scale thermal power and desalination systems. High-performance and stable dropwise condensation in widely-used copper heat exchangers is appealing for energy and water industries. In this work, a scalable and low-cost nanofabrication approach was developed to fabricate superhydrophobic copper oxide (CuO) nanoneedle surfaces to promote dropwise condensation and even jumping-droplet condensation. By conducting systematic surface characterization and in situ environmental scanning electron microscope (ESEM) condensation experiments, we were able to probe the microscopic formation physics of droplets on irregular nanostructured surfaces. At the early stages of condensation process, the interfacial surface tensions at the edge of CuO nanoneedles were found to influence both the local energy barriers for microdroplet growth and the advancing contact angles when droplets undergo depinning. Local surface roughness also has a significant impact on the volume of the condensate within the nanostructures and overall heat transfer from the vapor to substrate. Both our theoretical analysis and in situ ESEM experiments have revealed that the liquid condensate within the nanostructures determines the amount of the work of adhesion and kinetic energy associated with droplet coalescence and jumping. Local and global droplet growth models were also proposed to predict how the microdroplet morphology within nanostructures affects the heat transfer performance of early-stage condensation. Our quantitative analysis of microdroplet formation and growth within irregular nanostructures provides the insight to guide the anodization-based nanofabrication for enhancing dropwise and jumping-droplet condensation performance.

Grain formation in astronomical systems: A critical review of condensation processes

NASA Technical Reports Server (NTRS)

Donn, B.

1978-01-01

An analysis is presented of the assumption and the applicability of the three theoretical methods for calculating condensations in cosmic clouds where no pre-existing nuclei exist. The three procedures are: thermodynamic equilibrium calculations, nucleation theory, and a kinetic treatment which would take into account the characteristics of each individual collision. Thermodynamics provide detailed results on the composition temperature and composition of the condensate provided the system attains equilibrium. Because of the cosmic abundance mixture of elements, large supersaturations in some cases and low pressures, equilibrium is not expected in astronomical clouds. Nucleation theory, a combination of thermodynamics and kinetics, has the limitations of each scheme. Kinetics, not requiring equilibrium, avoids nearly all the thermodynamics difficulties but requires detailed knowledge of many reactions which thermodynamics avoids. It appears to be the only valid way to treat grain formation in space. A review of experimental studies is given.

Inverse magnetic catalysis from improved holographic QCD in the Veneziano limit

NASA Astrophysics Data System (ADS)

Gürsoy, Umut; Iatrakis, Ioannis; Järvinen, Matti; Nijs, Govert

2017-03-01

We study the dependence of the chiral condensate on external magnetic field in the context of holographic QCD at large number of flavors. We consider a holographic QCD model where the flavor degrees of freedom fully backreact on the color dynamics. Perturbative QCD calculations have shown that B acts constructively on the chiral condensate, a phenomenon called "magnetic catalysis". In contrast, recent lattice calculations show that, depending on the number of flavors and temperature, the magnetic field may also act destructively, which is called "inverse magnetic catalysis". Here we show that the holographic theory is capable of both behaviors depending on the choice of parameters. For reasonable choice of the potentials entering the model we find qualitative agreement with the lattice expectations. Our results provide insight for the physical reasons behind the inverse magnetic catalysis. In particular, we argue that the backreaction of the flavors to the background geometry decatalyzes the condensate.

Cross-Over Between Different Symmetries

NASA Astrophysics Data System (ADS)

Frauendorf, S.

2014-09-01

The yrast states of even even vibrational and transitional nuclei are interpreted as a rotating condensate of interacting d-bosons. The corresponding semi-classical tidal wave concept is used for microscopic calculations of energies and E2 transition probabilities. The strong octupole correlations in the light rare earth and actinide nuclides are interpreted as rotation-induced condensation of interacting f-bosons.

Quantum chemical approach for condensed-phase thermochemistry (V): Development of rigid-body type harmonic solvation model

NASA Astrophysics Data System (ADS)

Tarumi, Moto; Nakai, Hiromi

2018-05-01

This letter proposes an approximate treatment of the harmonic solvation model (HSM) assuming the solute to be a rigid body (RB-HSM). The HSM method can appropriately estimate the Gibbs free energy for condensed phases even where an ideal gas model used by standard quantum chemical programs fails. The RB-HSM method eliminates calculations for intra-molecular vibrations in order to reduce the computational costs. Numerical assessments indicated that the RB-HSM method can evaluate entropies and internal energies with the same accuracy as the HSM method but with lower calculation costs.

Vapor-liquid equilibrium thermodynamics of N2 + CH4 - Model and Titan applications

NASA Technical Reports Server (NTRS)

Thompson, W. R.; Zollweg, John A.; Gabis, David H.

1992-01-01

A thermodynamic model is presented for vapor-liquid equilibrium in the N2 + CH4 system, which is implicated in calculations of the Titan tropospheric clouds' vapor-liquid equilibrium thermodynamics. This model imposes constraints on the consistency of experimental equilibrium data, and embodies temperature effects by encompassing enthalpy data; it readily calculates the saturation criteria, condensate composition, and latent heat for a given pressure-temperature profile of the Titan atmosphere. The N2 content of condensate is about half of that computed from Raoult's law, and about 30 percent greater than that computed from Henry's law.

Design and performance evaluation of a cryogenic condenser for an in-pile experiment

NASA Technical Reports Server (NTRS)

Graham, R. W.; Crum, R. J.; Hsu, Y.

1972-01-01

An apparatus was designed to enable in-pile irradiation of materials in liquid hydrogen at cryogenic temperatures. One of the principal components of this apparatus was a horizontal tube condenser. The performance of the condenser was evaluated by running a liquid-nitrogen prototype of the apparatus at heat loads comparable to or greater than those expected during the irradiation. The test showed that the condenser was capable of handling the design heat load and that the design procedure was sound.

Chemical fractionation in the solar nebula

NASA Technical Reports Server (NTRS)

Grossman, L.

1977-01-01

The sequence of condensation of minerals from a cooling gas of solar composition has been calculated from thermodynamic data over the pressure range 0.001-0.00001 atm, assuming that complete chemical equilibrium is maintained. The results suggest that the Ca-Al-rich inclusions Allende and other carbonaceous chondrites are aggregates of the highest temperature condensates. Complete condensation of these elements is followed, 100 deg later, by the onset of the crystallization of nickel-iron, forsterite and enstatite. Transport of Ca-Al-rich refractory condensates from one part of the nebula to another before the condensation of these lower-temperature phases may have been responsible for the refractory element fractionations between the different classes of chondrites and possibly for the inferred refractory element enrichment of the Moon. The temperature gap between the condensation temperatures of nickel-iron and forsterite increases with increasing total pressure. Because pressure and temperature probably increased with decreasing heliocentric distance in the solar nebula, Mercury may have accreted from a condensate assemblage having a higher metal/silicate ratio than Venus or Earth which may, in turn, have formed from less oxidized material than Mars.

Microstructure and Thermal History of Metal Particles in CH Chondrites

NASA Technical Reports Server (NTRS)

Goldstein, J. I.; Jones, R. H.; Kotula, P. G.; Michael, J. R.

2005-01-01

Fe-Ni metal particles with smooth Ni, Co, and Cr zoning patterns, 8-13 wt.% Ni in the center of the particle to 3-5 wt% Ni at the rim, have been identified in several CR-clan (CH, Bencubbinlike, and CR) chondrites. These zoning patterns are broadly consistent with an origin by gas-solid condensation in the solar nebula at temperatures between approximately 1500 to 1300 K and fast cooling rates, 2 to 25 K/day. Apparently, this condensate metal was not melted during chondrule formation or affected significantly in the solid-state by alteration during parent body processing. Consideration of diffusional redistribution of Ni, Co, Cr and siderophile elements have further constrained the calculated condensation temperatures and cooling rates of the zoned condensates. These condensate metals have irregular shapes and vary in size from 50 to 350 m as revealed in some detail by optical and SEM techniques. In addition to zoned condensate particles, other types of metal particles have been observed. These include zoned condensates with exsolution-precipitates, unzoned homogeneous metal with no exsolution precipitates, unzoned metal exhibiting exsolution precipitates and high Ni metal grains.

Heat of capillary condensation in nanopores: new insights from the equation of state.

PubMed

Tan, Sugata P; Piri, Mohammad

2017-02-15

Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) coupled with the Young-Laplace equation is a recently developed equation of state (EOS) that successfully presents not only the capillary condensation but also the pore critical phenomena. The development of this new EOS allows further investigation of the heats involved in condensation. Compared to the conventional approaches, the EOS calculations present the temperature-dependent behavior of the heat of capillary condensation as well as that of the contributing effects. The confinement effect was found to be the strongest at the pore critical point. Therefore, contrary to the bulk heat condensation that vanishes at the critical point, the heat of capillary condensation in small pores shows a minimum and then increases with temperature when approaching the pore critical temperature. Strong support for the existence of the pore critical point is also discussed as the volume expansivity of the condensed phase in confinement was found to increase dramatically near the pore critical temperature. At high reduced temperatures, the Clausius-Clapeyron equation was found to apply better for confined fluids than it does for bulk fluids.

The growth of filaments by the condensation of coronal arches

NASA Technical Reports Server (NTRS)

Davis, J. M.; Krieger, A. S.

1982-01-01

A model of filament formation based on the condensation of coronal arches is described. The condensation results from initiating the radiative instability within an arch by superimposing a transient energy supply upon the steady state heating mechanism. The transient energy supply increases the density within the arch so that when it is removed the radiative losses are sufficient to lead to cooling below the minimum in the power loss curve. Times from the initial formation of the condensation to its temperature stabilization as a cool filament have been calculated for various initial conditions. They lie in the range 10,000-100,000 s with the majority of the time spent above a temperature of 1 x 10 to the 6th K. Under the assumption that the condensation of a single arch forms an element of the filament, a complete filament requires the condensation of an arcade of loops. Using experimentally derived parameters, filament densities of 10 to the 11th to 10 to the 12th per cu cm can be obtained.

Effect of precursor supply on structural and morphological characteristics of fe nanomaterials synthesized via chemical vapor condensation method.

PubMed

Ha, Jong-Keun; Ahn, Hyo-Jun; Kim, Ki-Won; Nam, Tae-Hyun; Cho, Kwon-Koo

2012-01-01

Various physical, chemical and mechanical methods, such as inert gas condensation, chemical vapor condensation, sol-gel, pulsed wire evaporation, evaporation technique, and mechanical alloying, have been used to synthesize nanoparticles. Among them, chemical vapor condensation (CVC) has the benefit of its applicability to almost all materials because a wide range of precursors are available for large-scale production with a non-agglomerated state. In this work, Fe nanoparticles and nanowires were synthesized by chemical vapor condensation method using iron pentacarbonyl (Fe(CO)5) as the precursor. The effect of processing parameters on the microstructure, size and morphology of Fe nanoparticles and nanowires were studied. In particular, we investigated close correlation of size and morphology of Fe nanoparticles and nanowires with atomic quantity of inflow precursor into the electric furnace as the quantitative analysis. The atomic quantity was calculated by Boyle's ideal gas law. The Fe nanoparticles and nanowires with various diameter and morphology have successfully been synthesized by the chemical vapor condensation method.

Thermodynamic integration based on classical atomistic simulations to determine the Gibbs energy of condensed phases: Calculation of the aluminum-zirconium system

NASA Astrophysics Data System (ADS)

Harvey, J.-P.; Gheribi, A. E.; Chartrand, P.

2012-12-01

In this work, an in silico procedure to generate a fully coherent set of thermodynamic properties obtained from classical molecular dynamics (MD) and Monte Carlo (MC) simulations is proposed. The procedure is applied to the Al-Zr system because of its importance in the development of high strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of the studied condensed phases of the Al-Zr system (the liquid phase, the fcc solid solution, and various orthorhombic stoichiometric compounds) are calculated using the modified embedded atom model (MEAM) in the second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is parameterized in this work using ab initio and experimental data found in the literature for the AlZr3-L12 structure, while its predictive ability is confirmed for several other solid structures and for the liquid phase. The thermodynamic integration (TI) method is implemented in a general MC algorithm in order to evaluate the absolute Gibbs energy of the liquid and the fcc solutions. The entropy of mixing calculated from the TI method, combined to the enthalpy of mixing and the heat capacity data generated from MD/MC simulations performed in the isobaric-isothermal/canonical (NPT/NVT) ensembles are used to parameterize the Gibbs energy function of all the condensed phases in the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams (CALPHAD) approach. The modified quasichemical model in the pair approximation (MQMPA) and the cluster variation method (CVM) in the tetrahedron approximation are used to define the Gibbs energy of the liquid and the fcc solid solution respectively for their entire range of composition. Thermodynamic and structural data generated from our MD/MC simulations are used as input data to parameterize these thermodynamic models. A detailed analysis of the validity and transferability of the Al-Zr MEAM-2NN potential is presented throughout our work by comparing the predicted properties obtained from this formalism with available ab initio and experimental data for both liquid and solid phases.

Control of VOCs emissions by condenser pre-treatment in a semiconductor fab.

PubMed

Lin, Yu-Chih; Chang, Feng-Tang; Bai, Hsunling; Pei, Bau-Shei

2005-04-11

The performance of a modified design of local condensers to pre-treat a variety of volatile organic compounds (VOCs) emitted from the stripping process of a semiconductor fab was tested in this study. The reaction temperature of the condensers was controlled at around 10 degrees C, it is relatively higher than the traditional condenser reaction temperature. Both VOCs and water vapors were condensed and formed liquid films. This resulted in an enhancement of the VOCs removals, especially for VOCs of high boiling points or solubility. This can help to prevent the follow up zeolite concentrator from damage. The performance of the integrated system of condenser/zeolite concentrator could, therefore, remain highly efficient for a longer operation time. Its annualized cost would also be lower than installing the zeolite concentrator only.

Unfolding DNA condensates produced by DNA-like charged depletants: A force spectroscopy study

NASA Astrophysics Data System (ADS)

Lima, C. H. M.; Rocha, M. S.; Ramos, E. B.

2017-02-01

In this work, we have measured, by means of optical tweezers, forces acting on depletion-induced DNA condensates due to the presence of the DNA-like charged protein bovine serum albumin (BSA). The stretching and unfolding measurements performed on the semi-flexible DNA chain reveal (1) the softening of the uncondensed DNA contour length and (2) a mechanical behavior strikingly different from those previously observed: the force-extension curves of BSA-induced DNA condensates lack the "saw-tooth" pattern and applied external forces as high as ≈80 pN are unable to fully unfold the condensed DNA contour length. This last mechanical experimental finding is in agreement with force-induced "unpacking" detailed Langevin dynamics simulations recently performed by Cortini et al. on model rod-like shaped condensates. Furthermore, a simple thermodynamics analysis of the unfolding process has enabled us to estimate the free energy involved in the DNA condensation: the estimated depletion-induced interactions vary linearly with both the condensed DNA contour length and the BSA concentration, in agreement with the analytical and numerical analysis performed on model DNA condensates. We hope that future additional experiments can decide whether the rod-like morphology is the actual one we are dealing with (e.g. pulling experiments coupled with super-resolution fluorescence microscopy).

Clouds in Super-Earth Atmospheres: Chemical Equilibrium Calculations

NASA Astrophysics Data System (ADS)

Mbarek, Rostom; Kempton, Eliza M.-R.

2016-08-01

Recent studies have unequivocally proven the existence of clouds in super-Earth atmospheres. Here we provide a theoretical context for the formation of super-Earth clouds by determining which condensates are likely to form under the assumption of chemical equilibrium. We study super-Earth atmospheres of diverse bulk composition, which are assumed to form by outgassing from a solid core of chondritic material, following Schaefer & Fegley. The super-Earth atmospheres that we study arise from planetary cores made up of individual types of chondritic meteorites. They range from highly reducing to oxidizing and have carbon to oxygen (C:O) ratios that are both sub-solar and super-solar, thereby spanning a range of atmospheric composition that is appropriate for low-mass exoplanets. Given the atomic makeup of these atmospheres, we minimize the global Gibbs free energy of formation for over 550 gases and condensates to obtain the molecular composition of the atmospheres over a temperature range of 350-3000 K. Clouds should form along the temperature-pressure boundaries where the condensed species appear in our calculation. We find that the composition of condensate clouds depends strongly on both the H:O and C:O ratios. For the super-Earth archetype GJ 1214b, KCl and ZnS are the primary cloud-forming condensates at solar composition, in agreement with previous work. However, for oxidizing atmospheres, K2SO4 and ZnO condensates are favored instead, and for carbon-rich atmospheres with super-solar C:O ratios, graphite clouds appear. For even hotter planets, clouds form from a wide variety of rock-forming and metallic species.

BOXER: Fine-flux Cross Section Condensation, 2D Few Group Diffusion and Transport Burnup Calculations

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

2010-02-01

Neutron transport, calculation of multiplication factor and neutron fluxes in 2-D configurations: cell calculations, 2-D diffusion and transport, and burnup. Preparation of a cross section library for the code BOXER from a basic library in ENDF/B format (ETOBOX).

Characterization of condenser microphones under different environmental conditions for accurate speed of sound measurements with acoustic resonators.

PubMed

Guianvarc'h, Cécile; Gavioso, Roberto M; Benedetto, Giuliana; Pitre, Laurent; Bruneau, Michel

2009-07-01

Condenser microphones are more commonly used and have been extensively modeled and characterized in air at ambient temperature and static pressure. However, several applications of interest for metrology and physical acoustics require to use these transducers in significantly different environmental conditions. Particularly, the extremely accurate determination of the speed of sound in monoatomic gases, which is pursued for a determination of the Boltzmann constant k by an acoustic method, entails the use of condenser microphones mounted within a spherical cavity, over a wide range of static pressures, at the temperature of the triple point of water (273.16 K). To further increase the accuracy achievable in this application, the microphone frequency response and its acoustic input impedance need to be precisely determined over the same static pressure and temperature range. Few previous works examined the influence of static pressure, temperature, and gas composition on the microphone's sensitivity. In this work, the results of relative calibrations of 1/4 in. condenser microphones obtained using an electrostatic actuator technique are presented. The calibrations are performed in pure helium and argon gas at temperatures near 273 K and in the pressure range between 10 and 600 kPa. These experimental results are compared with the predictions of a realistic model available in the literature, finding a remarkable good agreement. The model provides an estimate of the acoustic impedance of 1/4 in. condenser microphones as a function of frequency and static pressure and is used to calculate the corresponding frequency perturbations induced on the normal modes of a spherical cavity when this is filled with helium or argon gas.

Helical Structure Determines Different Susceptibilities of dsDNA, dsRNA, and tsDNA to Counterion-Induced Condensation

PubMed Central

Kornyshev, Alexei A.; Leikin, Sergey

2013-01-01

Recent studies of counterion-induced condensation of nucleic acid helices into aggregates produced several puzzling observations. For instance, trivalent cobalt hexamine ions condensed double-stranded (ds) DNA oligomers but not their more highly charged dsRNA counterparts. Divalent alkaline earth metal ions condensed triple-stranded (ts) DNA oligomers but not dsDNA. Here we show that these counterintuitive experimental results can be rationalized within the electrostatic zipper model of interactions between molecules with helical charge motifs. We report statistical mechanical calculations that reveal dramatic and nontrivial interplay between the effects of helical structure and thermal fluctuations on electrostatic interaction between oligomeric nucleic acids. Combining predictions for oligomeric and much longer helices, we also interpret recent experimental studies of the role of counterion charge, structure, and chemistry. We argue that an electrostatic zipper attraction might be a major or even dominant force in nucleic acid condensation. PMID:23663846

Implementation of non-condensable gases condensation suppression model into the WCOBRA/TRAC-TF2 LOCA safety evaluation code

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

Liao, J.; Cao, L.; Ohkawa, K.

2012-07-01

The non-condensable gases condensation suppression model is important for a realistic LOCA safety analysis code. A condensation suppression model for direct contact condensation was previously developed by Westinghouse using first principles. The model is believed to be an accurate description of the direct contact condensation process in the presence of non-condensable gases. The Westinghouse condensation suppression model is further revised by applying a more physical model. The revised condensation suppression model is thus implemented into the WCOBRA/TRAC-TF2 LOCA safety evaluation code for both 3-D module (COBRA-TF) and 1-D module (TRAC-PF1). Parametric study using the revised Westinghouse condensation suppression model ismore » conducted. Additionally, the performance of non-condensable gases condensation suppression model is examined in the ACHILLES (ISP-25) separate effects test and LOFT L2-5 (ISP-13) integral effects test. (authors)« less

Photoinduced Processes in Cobalt-Complexes: Condensed Phase and Gas Phase

NASA Astrophysics Data System (ADS)

Rupp, F.; Chevalier, K.; Wolf, M. M. N.; Krüger, H.-J.; Wüllen, C. v.; Nosenko, Y.; Niedner-Schatteburg, Y.; Riehn, C.; Diller, R.

2013-03-01

Femtosecond time-resolved, steady-state spectroscopic methods and quantum chemical calculations are employed to study ultrafast photoinduced processes in [Co(III)-(L-N4Me2)(dbc)](BPh4) and [Co(II)-(L-N4tBu2)(dbsq)](B(p-C6H4Cl)4) and to characterise the transient redox- and spin-states in condensed and gas phase.

40 CFR 91.313 - Analyzers required.

Code of Federal Regulations, 2012 CFR

2012-07-01

... condensation is acceptable. If water is removed by condensation, the sample gas temperature or sample dew point.... A water trap performing this function is an acceptable method. Means other than condensation may be...

40 CFR 90.313 - Analyzers required.

Code of Federal Regulations, 2013 CFR

2013-07-01

... condensation is acceptable. If water is removed by condensation, the sample gas temperature or sample dew point.... A water trap performing this function is an acceptable method. Means other than condensation may be...

40 CFR 90.313 - Analyzers required.

Code of Federal Regulations, 2011 CFR

2011-07-01

... condensation is acceptable. If water is removed by condensation, the sample gas temperature or sample dew point.... A water trap performing this function is an acceptable method. Means other than condensation may be...

40 CFR 91.313 - Analyzers required.

Code of Federal Regulations, 2014 CFR

2014-07-01

... condensation is acceptable. If water is removed by condensation, the sample gas temperature or sample dew point.... A water trap performing this function is an acceptable method. Means other than condensation may be...

40 CFR 91.313 - Analyzers required.

Code of Federal Regulations, 2013 CFR

2013-07-01

... condensation is acceptable. If water is removed by condensation, the sample gas temperature or sample dew point.... A water trap performing this function is an acceptable method. Means other than condensation may be...

40 CFR 91.313 - Analyzers required.

Code of Federal Regulations, 2011 CFR

2011-07-01

... condensation is acceptable. If water is removed by condensation, the sample gas temperature or sample dew point.... A water trap performing this function is an acceptable method. Means other than condensation may be...

40 CFR 90.313 - Analyzers required.

Code of Federal Regulations, 2014 CFR

2014-07-01

... condensation is acceptable. If water is removed by condensation, the sample gas temperature or sample dew point.... A water trap performing this function is an acceptable method. Means other than condensation may be...

40 CFR 90.313 - Analyzers required.

Code of Federal Regulations, 2012 CFR

2012-07-01

... condensation is acceptable. If water is removed by condensation, the sample gas temperature or sample dew point.... A water trap performing this function is an acceptable method. Means other than condensation may be...

An expert system for diagnostics and estimation of steam turbine components condition

NASA Astrophysics Data System (ADS)

Murmansky, B. E.; Aronson, K. E.; Brodov, Yu. M.

2017-11-01

The report describes an expert system of probability type for diagnostics and state estimation of steam turbine technological subsystems components. The expert system is based on Bayes’ theorem and permits to troubleshoot the equipment components, using expert experience, when there is a lack of baseline information on the indicators of turbine operation. Within a unified approach the expert system solves the problems of diagnosing the flow steam path of the turbine, bearings, thermal expansion system, regulatory system, condensing unit, the systems of regenerative feed-water and hot water heating. The knowledge base of the expert system for turbine unit rotors and bearings contains a description of 34 defects and of 104 related diagnostic features that cause a change in its vibration state. The knowledge base for the condensing unit contains 12 hypotheses and 15 evidence (indications); the procedures are also designated for 20 state parameters estimation. Similar knowledge base containing the diagnostic features and faults hypotheses are formulated for other technological subsystems of turbine unit. With the necessary initial information available a number of problems can be solved within the expert system for various technological subsystems of steam turbine unit: for steam flow path it is the correlation and regression analysis of multifactor relationship between the vibration parameters variations and the regime parameters; for system of thermal expansions it is the evaluation of force acting on the longitudinal keys depending on the temperature state of the turbine cylinder; for condensing unit it is the evaluation of separate effect of the heat exchange surface contamination and of the presence of air in condenser steam space on condenser thermal efficiency performance, as well as the evaluation of term for condenser cleaning and for tube system replacement and so forth. With a lack of initial information the expert system enables to formulate a diagnosis, calculating the probability of faults hypotheses, given the degree of the expert confidence in estimation of turbine components operation parameters.

Anisotropic properties of phase separation in two-component dipolar Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Wang, Wei; Li, Jinbin

2018-03-01

Using Crank-Nicolson method, we calculate ground state wave functions of two-component dipolar Bose-Einstein condensates (BECs) and show that, due to dipole-dipole interaction (DDI), the condensate mixture displays anisotropic phase separation. The effects of DDI, inter-component s-wave scattering, strength of trap potential and particle numbers on the density profiles are investigated. Three types of two-component profiles are present, first cigar, along z-axis and concentric torus, second pancake (or blood cell), in xy-plane, and two non-uniform ellipsoid, separated by the pancake and third two dumbbell shapes.

Dimensional Transmutation by Monopole Condensation in QCD

NASA Astrophysics Data System (ADS)

Cho, Y. M.

2015-01-01

The dimensional transmutation by the monopole condensation in QCD is reviewed. Using Abelian projection of the gauge potential which projects out the monopole potential gauge independently, we we show that there are two types of gluons: the color neutral binding gluons which plays the role of the confining agent and the colored valence gluons which become confined prisoners. With this we calculate the one-loop QCD effective potential and show the monopole condensation becomes the true vacuum of QCD. We propose to test the existence of two types of gluons experimentally by re-analyzing the existing gluon jets data.

A Deterministic Computational Procedure for Space Environment Electron Transport

NASA Technical Reports Server (NTRS)

Nealy, John E.; Chang, C. K.; Norman, Ryan B.; Blattnig, Steve R.; Badavi, Francis F.; Adamcyk, Anne M.

2010-01-01

A deterministic computational procedure for describing the transport of electrons in condensed media is formulated to simulate the effects and exposures from spectral distributions typical of electrons trapped in planetary magnetic fields. The primary purpose for developing the procedure is to provide a means of rapidly performing numerous repetitive transport calculations essential for electron radiation exposure assessments for complex space structures. The present code utilizes well-established theoretical representations to describe the relevant interactions and transport processes. A combined mean free path and average trajectory approach is used in the transport formalism. For typical space environment spectra, several favorable comparisons with Monte Carlo calculations are made which have indicated that accuracy is not compromised at the expense of the computational speed.

TRAC-PF1/MOD1 support calculations for the MIST/OTIS program

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

Fujita, R.K.; Knight, T.D.

1984-01-01

We are using the Transient Reactor Analysis Code (TRAC), specifically version TRAC-PF1/MOD1, to perform analyses in support of the MultiLoop Integral-System Test (MIST) and the Once-Through Integral-System (OTIS) experiment program. We have analyzed Geradrohr Dampferzeuger Anlage (GERDA) Test 1605AA to benchmark the TRAC-PF1/MOD1 code against phenomena expected to occur in a raised-loop B and W plant during a small-break loss-of-coolant accident (SBLOCA). These results show that the code can calculate both single- and two-phase natural circulation, flow interruption, boiler-condenser-mode (BCM) heat transfer, and primary-system refill in a B and W-type geometry with low-elevation auxiliary feedwater. 19 figures, 7 tables.

Comment on 'Nonlinear band structure in Bose-Einstein condensates: Nonlinear Schroedinger equation with a Kronig-Penney potential'

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

Danshita, Ippei; Department of Physics, Waseda University, 3-4-1 Okubo, Shinjuku, Tokyo 169-8555; Tsuchiya, Shunji

2007-07-15

In their recent paper [Phys. Rev. A 71, 033622 (2005)], Seaman et al. studied Bloch states of the condensate wave function in a Kronig-Penney potential and calculated the band structure. They argued that the effective mass is always positive when a swallowtail energy loop is present in the band structure. In this Comment, we reexamine their argument by actually calculating the effective mass. It is found that there exists a region where the effective mass is negative even when a swallowtail is present. Based on this fact, we discuss the interpretation of swallowtails in terms of superfluidity.

Unconventional field induced phases in a quantum magnet formed by free radical tetramers

NASA Astrophysics Data System (ADS)

Saúl, Andrés; Gauthier, Nicolas; Askari, Reza Moosavi; Côté, Michel; Maris, Thierry; Reber, Christian; Lannes, Anthony; Luneau, Dominique; Nicklas, Michael; Law, Joseph M.; Green, Elizabeth Lauren; Wosnitza, Jochen; Bianchi, Andrea Daniele; Feiguin, Adrian

2018-02-01

We report experimental and theoretical studies on the magnetic and thermodynamic properties of NIT-2Py, a free radical based organic magnet. From magnetization and specific-heat measurements we establish the temperature versus magnetic field phase diagram which includes two Bose-Einstein condensates (BEC) and an infrequent half-magnetization plateau. Calculations based on density functional theory demonstrate that magnetically this system can be mapped to a quasi-two-dimensional structure of weakly coupled tetramers. Density matrix renormalization group calculations show the unusual characteristics of the BECs where the spins forming the low-field condensate are different than those participating in the high-field one.

Development of Flow Boiling and Condensation Experiment on the International Space Station- Normal and Low Gravity Flow Boiling Experiment Development and Test Results

NASA Technical Reports Server (NTRS)

Nahra, Henry K.; Hall, Nancy R.; Hasan, Mohammad M.; Wagner, James D.; May, Rochelle L.; Mackey, Jeffrey R.; Kolacz, John S.; Butcher, Robert L.; Frankenfield, Bruce J.; Mudawar, Issam;

Structure investigation of three hydrazones Schiff's bases by spectroscopic, thermal and molecular orbital calculations and their biological activities

NASA Astrophysics Data System (ADS)

Belal, Arafa A. M.; Zayed, M. A.; El-Desawy, M.; Rakha, Sh. M. A. H.

2015-03-01

Three Schiff's bases AI (2(1-hydrazonoethyl)phenol), AII (2, 4-dibromo 6-(hydrazonomethyl)phenol) and AIII (2(hydrazonomethyl)phenol) were prepared as new hydrazone compounds via condensation reactions with molar ratio (1:1) of reactants. Firstly by reaction of 2-hydroxy acetophenone solution and hydrazine hydrate; it gives AI. Secondly condensation between 3,5-dibromo-salicylaldehyde and hydrazine hydrate gives AII. Thirdly condensation between salicylaldehyde and hydrazine hydrate gives AIII. The structures of AI-AIII were characterized by elemental analysis (EA), mass (MS), FT-IR and 1H NMR spectra, and thermal analyses (TG, DTG, and DTA). The activation thermodynamic parameters, such as, ΔE∗, ΔH∗, ΔS∗ and ΔG∗ were calculated from the TG curves using Coats-Redfern method. It is important to investigate their molecular structures to know the active groups and weak bond responsible for their biological activities. Consequently in the present work, the obtained thermal (TA) and mass (MS) practical results are confirmed by semi-empirical MO-calculations (MOCS) using PM3 procedure. Their biological activities have been tested in vitro against Escherichia coli, Proteus vulgaris, Bacillissubtilies and Staphylococcus aurous bacteria in order to assess their anti-microbial potential.

Development of a solar-powered residential air conditioner: Screening analysis

NASA Technical Reports Server (NTRS)

1975-01-01

Screening analysis aimed at the definition of an optimum configuration of a Rankine cycle solar-powered air conditioner designed for residential application were conducted. Initial studies revealed that system performance and cost were extremely sensitive to condensing temperature and to the type of condenser used in the system. Consequently, the screening analyses were concerned with the generation of parametric design data for different condenser approaches; i. e., (1) an ambient air condenser, (2) a humidified ambient air condenser (3) an evaporative condenser, and (4) a water condenser (with a cooling tower). All systems feature a high performance turbocompressor and a single refrigerant (R-11) for the power and refrigeration loops. Data were obtained by computerized methods developed to permit system characterization over a broad range of operating and design conditions. The criteria used for comparison of the candidate system approaches were (1) overall system COP (refrigeration effect/solar heat input), (2) auxiliary electric power for fans and pumps, and (3) system installed cost or cost to the user.

Investigation of the effect of pressure increasing in condensing heat-exchanger

NASA Astrophysics Data System (ADS)

Murmanskii, I. B.; Aronson, K. E.; Brodov, Yu M.; Galperin, L. G.; Ryabchikov, A. Yu.; Brezgin, D. V.

2017-11-01

The effect of pressure increase was observed in steam condensation in the intermediate coolers of multistage steam ejector. Steam pressure increase for ejector cooler amounts up to 1.5 kPa in the first ejector stage, 5 kPa in the second and 7 kPa in the third one. Pressure ratios are equal to 2.0, 1.3 and 1.1 respectively. As a rule steam velocities at the cooler inlets do not exceed 40…100 m/s and are subsonic in all regimes. The report presents a computational model that describes the effect of pressure increase in the cooler. The steam entering the heat exchanger tears the drops from the condensate film flowing down vertical tubes. At the inlet of heat exchanger the steam flow capturing condensate droplets forms a steam-water mixture in which the sound velocity is significantly reduced. If the flow rate of steam-water mixture in heat exchanger is greater than the sound velocity, there occurs a pressure shock in the wet steam. On the basis of the equations of mass, momentum and energy conservation the authors derived the expressions for calculation of steam flow dryness degree before and after the shock. The model assumes that droplet velocity is close to the velocity of the steam phase (slipping is absent); drops do not come into thermal interaction with the steam phase; liquid phase specific volume compared to the volume of steam is neglected; pressure shock is calculated taking into account the gas-dynamic flow resistance of the tube bundle. It is also assumed that the temperature of steam after the shock is equal to the saturation temperature. The calculations have shown that the rise of steam pressure and temperature in the shock results in dryness degree increase. For calculated flow parameters the velocity value before the shock is greater than the sound velocity. Thus, on the basis of generally accepted physics knowledge the computational model has been formulated for the effect of steam pressure rise in the condensing heat exchanger.

Synthesis, molecular structure, spectral analysis and cytotoxic activity of two new aroylhydrazones

NASA Astrophysics Data System (ADS)

Singh, Ravindra Kumar; Singh, Ashok Kumar; Siddiqui, Sahabjada; Arshad, Mohammad; Jafri, Asif

2017-05-01

Two new aroylhydrazones viz 4-nitro-N‧-(1-(pyridin-2-yl)ethylidene)benzohydrazide, NPHY (4) and 4-nitro-N‧-(1-(thiophen-2-yl)ethylidene)benzohydrazide, NPHT (5) have been prepared and characterized by 1H NMR, 13C NMR, FT-IR, UV-Visible spectroscopy and mass spectrometry. All quantum calculations were performed at DFT level of theory using B3LYP functional and 6-31G (d,p) as basis set. TD-DFT calculated electronic transitions are found to be in good agreement with experimental findings. The assignments for normal vibrational modes have been done by computing Potential Energy Distribution (PED) using Gar2ped. HOMO-LUMO analysis was performed and reactivity descriptors were also computed. Global electrophilicity index (ω) of 6.12-6.26 eV shows these aroylhydrazones to be strong electrophiles. Intramolecular interactions were analyzed by 'Atoms in molecule' (AIM) approach. Also, the computed first static hyperpolarizabilities (β0) of these hydrazones indicate their future application as an attractive non-linear optical (NLO) material. Cytotoxicity evaluated by MTT assay, suggested that the synthesized aroylhydrazones significantly reduce the cell viability of breast cancer cell lines (MCF7) and human prostate adenocarcinoma (DU145) in a dose dependent manner. Cytotoxic potencies (IC50) of these hydrazones against MCF7 and DU145 cell lines were found in range of 54.67-85.67 μM. The result of ROS activity provides supportive data for molecular mechanism of these hydrazones, which is related to apoptotic cellular death. Nuclear condensation assay performed by DAPI staining shows fragmented and condensed nuclei in MCF7 cells, suggesting cell death by apoptosis.

Interatomic potentials in condensed matter via the maximum-entropy principle

NASA Astrophysics Data System (ADS)

Carlsson, A. E.

1987-09-01

A general method is described for the calculation of interatomic potentials in condensed-matter systems by use of a maximum-entropy Ansatz for the interatomic correlation functions. The interatomic potentials are given explicitly in terms of statistical correlation functions involving the potential energy and the structure factor of a ``reference medium.'' Illustrations are given for Al-Cu alloys and a model transition metal.

Ionic Liquid Fuels for Chemical Propulsion

DTIC Science & Technology

2016-10-31

nucleophilicity in the ionic liquid is critical. Both gas -phase and condensed-phase (CPCM-GIL) density functional theory calculations support the...stability trends in dialkylimidazolium ionic liquids and could be used as a higher accuracy method than the gas -phase DFT approach for predicting thermal...stabilities of ionic liquids in general. One important finding from the comparison of the gas -phase basicities relative to the GIL condensed- phase

Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methods

NASA Astrophysics Data System (ADS)

Christensen, Anders S.; Kromann, Jimmy C.; Jensen, Jan H.; Cui, Qiang

2017-10-01

To facilitate further development of approximate quantum mechanical methods for condensed phase applications, we present a new benchmark dataset of intermolecular interaction energies in the solution phase for a set of 15 dimers, each containing one charged monomer. The reference interaction energy in solution is computed via a thermodynamic cycle that integrates dimer binding energy in the gas phase at the coupled cluster level and solute-solvent interaction with density functional theory; the estimated uncertainty of such calculated interaction energy is ±1.5 kcal/mol. The dataset is used to benchmark the performance of a set of semi-empirical quantum mechanical (SQM) methods that include DFTB3-D3, DFTB3/CPE-D3, OM2-D3, PM6-D3, PM6-D3H+, and PM7 as well as the HF-3c method. We find that while all tested SQM methods tend to underestimate binding energies in the gas phase with a root-mean-squared error (RMSE) of 2-5 kcal/mol, they overestimate binding energies in the solution phase with an RMSE of 3-4 kcal/mol, with the exception of DFTB3/CPE-D3 and OM2-D3, for which the systematic deviation is less pronounced. In addition, we find that HF-3c systematically overestimates binding energies in both gas and solution phases. As most approximate QM methods are parametrized and evaluated using data measured or calculated in the gas phase, the dataset represents an important first step toward calibrating QM based methods for application in the condensed phase where polarization and exchange repulsion need to be treated in a balanced fashion.

Rayleigh Scattering Density Measurements, Cluster Theory, and Nucleation Calculations at Mach 10

NASA Technical Reports Server (NTRS)

Balla, R. Jeffrey; Everhart, Joel L.

2012-01-01

In an exploratory investigation, quantitative unclustered laser Rayleigh scattering measurements of density were performed in the air in the NASA Langley Research Center's 31 in. Mach 10 wind tunnel. A review of 20 previous years of data in supersonic and Mach 6 hypersonic flows is presented where clustered signals typically overwhelmed molecular signals. A review of nucleation theory and accompanying nucleation calculations are also provided to interpret the current observed lack of clustering. Data were acquired at a fixed stagnation temperature near 990Kat five stagnation pressures spanning 2.41 to 10.0 MPa (350 to 1454 psi) using a pulsed argon fluoride excimer laser and double-intensified charge-coupled device camera. Data averaged over 371 images and 210 pixels along a 36.7mmline measured freestream densities that agree with computed isentropic-expansion densities to less than 2% and less than 6% at the highest and lowest densities, respectively. Cluster-free Mach 10 results are compared with previous clustered Mach 6 and condensation-free Mach 14 results. Evidence is presented indicating vibrationally excited oxygen and nitrogen molecules are absorbed as the clusters form, release their excess energy, and inhibit or possibly reverse the clustering process. Implications for delaying clustering and condensation onset in hypersonic and hypervelocity facilities are discussed.

Analyses of multi-pion Hanbury Brown–Twiss correlations for the pion-emitting sources with Bose–Einstein condensation

NASA Astrophysics Data System (ADS)

Bary, Ghulam; Ru, Peng; Zhang, Wei-Ning

2018-06-01

We calculate the three- and four-particle correlations of identical pions in an evolving pion gas (EPG) model with Bose–Einstein condensation. The multi-pion correlation functions in the EPG model are analyzed in different momentum intervals and compared with the experimental data for Pb–Pb collisions at \\sqrt{{s}{NN}}=2.76 {TeV}. It is found that the multi-pion correlation functions and cumulant correlation functions are sensitive to the condensation fraction of the EPG sources in the low average transverse-momentum intervals of the three and four pions. The model results of the multi-pion correlations are consistent with the experimental data in a considerable degree, which gives a source condensation fraction between 16% and 47%.

Wettability modified nanoporous ceramic membrane for simultaneous residual heat and condensate recovery.

PubMed

Hu, H W; Tang, G H; Niu, D

2016-06-07

Recovery of both latent heat and condensate from boiler flue gas is significant for improving boiler efficiency and water conservation. The condensation experiments are carried out to investigate the simultaneous heat and mass transfer across the nanoporous ceramic membranes (NPCMs) which are treated to be hydrophilic and hydrophobic surfaces using the semicontinuous supercritical reactions. The effects of typical parameters including coolant flow rate, vapor/nitrogen gas mixture temperature, water vapor volume fraction and transmembrane pressure on heat and mass transfer performance are studied. The experimental results show that the hydrophilic NPCM exhibits higher performances of condensation heat transfer and condensate recovery. However, the hydrophobic modification results in remarkable degradation of heat and condensate recovery from the mixture. Molecular dynamics simulations are conducted to establish a hydrophilic/hydrophobic nanopore/water liquid system, and the infiltration characteristics of the single hydrophilic/hydrophobic nanopore is revealed.

Wettability modified nanoporous ceramic membrane for simultaneous residual heat and condensate recovery

NASA Astrophysics Data System (ADS)

Hu, H. W.; Tang, G. H.; Niu, D.

2016-06-01

Recovery of both latent heat and condensate from boiler flue gas is significant for improving boiler efficiency and water conservation. The condensation experiments are carried out to investigate the simultaneous heat and mass transfer across the nanoporous ceramic membranes (NPCMs) which are treated to be hydrophilic and hydrophobic surfaces using the semicontinuous supercritical reactions. The effects of typical parameters including coolant flow rate, vapor/nitrogen gas mixture temperature, water vapor volume fraction and transmembrane pressure on heat and mass transfer performance are studied. The experimental results show that the hydrophilic NPCM exhibits higher performances of condensation heat transfer and condensate recovery. However, the hydrophobic modification results in remarkable degradation of heat and condensate recovery from the mixture. Molecular dynamics simulations are conducted to establish a hydrophilic/hydrophobic nanopore/water liquid system, and the infiltration characteristics of the single hydrophilic/hydrophobic nanopore is revealed.

Wettability modified nanoporous ceramic membrane for simultaneous residual heat and condensate recovery

PubMed Central

Hu, H. W.; Tang, G. H.; Niu, D.

2016-01-01

Recovery of both latent heat and condensate from boiler flue gas is significant for improving boiler efficiency and water conservation. The condensation experiments are carried out to investigate the simultaneous heat and mass transfer across the nanoporous ceramic membranes (NPCMs) which are treated to be hydrophilic and hydrophobic surfaces using the semicontinuous supercritical reactions. The effects of typical parameters including coolant flow rate, vapor/nitrogen gas mixture temperature, water vapor volume fraction and transmembrane pressure on heat and mass transfer performance are studied. The experimental results show that the hydrophilic NPCM exhibits higher performances of condensation heat transfer and condensate recovery. However, the hydrophobic modification results in remarkable degradation of heat and condensate recovery from the mixture. Molecular dynamics simulations are conducted to establish a hydrophilic/hydrophobic nanopore/water liquid system, and the infiltration characteristics of the single hydrophilic/hydrophobic nanopore is revealed. PMID:27270997

Ultra-cold molecules in an atomic Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Wynar, Roahn Helden

2000-08-01

This thesis is about photoassociation of Bose-condensed 87Rb. Most importantly we report that state selected 87Rb2 molecules were created at rest in a condensate of 87Rb using two-photon photoassociation. Additionally, we have identified three weakly bound states of the 87Rb2 S+u3 , potential for the |1, -1> + |1, - 1> collisional channel. The binding energies of these states are 529.4 +/- .07, 636.0094 +/- .0012, and 24.24 +/- .01 MHz respectively. We have also carried out a detailed study of the density dependence of the shift and width of the two-photon lineshape. This shift and width is modeled using the theory of Bohn and Julienne [34] and in addition to the precise measurement of binding energy we also report the first measurement of an atom molecule scattering length, aam, which we conclude is -180 +/- 150 a0, and the inelastic collision rate, Kinel < 8 × 10-11 cm-3/s. Stimulated Raman free bound coupling in an atomic Bose- Einstein condensate may lead to the formation of a molecular condensate. In order to evaluate this possibility we present a many-body quantum mean field theory of a Bose-Einstein condensate that includes a density dependent coherent coupling between atoms and molecules. This theory yields two coupled equations, one for the evolution of atomic condensate amplitude and one for the evolution of molecular condensate amplitude. The nature of the atomic-molecular condensate evolution is shown to depend on six, model parameters including the coherent coupling, given by cn . The other five parameters can be interpreted as light-shifts and incoherent loss rates. We present a calculation intended to estimate the values of these six parameters for the 87Rb - 87Rb 2 system. Based on the results of this calculation we identify two locations in the 87Rb2 spectrum where coherent transfer of population from atomic condensate to molecular condensate is plausible. Finally, we examine the credibility of the theoretical model used to estimate the six parameters used by the mean field theory. By comparing the measured Stark shifts of two-color resonances with predictions based on our theoretical model we conclude that the model is satisfactory for the v = 37 level of the S+u3 potential. This work also describes the experimental details of stabilizing a Coherent 899-01 Ti:Saphire laser and the experimental methods important to executing photoassociation in a time-averaged-orbiting potential (TOP) trap.

CLOUDS IN SUPER-EARTH ATMOSPHERES: CHEMICAL EQUILIBRIUM CALCULATIONS

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

Mbarek, Rostom; Kempton, Eliza M.-R., E-mail: mbarekro@grinnell.edu, E-mail: kemptone@grinnell.edu

Recent studies have unequivocally proven the existence of clouds in super-Earth atmospheres. Here we provide a theoretical context for the formation of super-Earth clouds by determining which condensates are likely to form under the assumption of chemical equilibrium. We study super-Earth atmospheres of diverse bulk composition, which are assumed to form by outgassing from a solid core of chondritic material, following Schaefer and Fegley. The super-Earth atmospheres that we study arise from planetary cores made up of individual types of chondritic meteorites. They range from highly reducing to oxidizing and have carbon to oxygen (C:O) ratios that are both sub-solarmore » and super-solar, thereby spanning a range of atmospheric composition that is appropriate for low-mass exoplanets. Given the atomic makeup of these atmospheres, we minimize the global Gibbs free energy of formation for over 550 gases and condensates to obtain the molecular composition of the atmospheres over a temperature range of 350–3000 K. Clouds should form along the temperature–pressure boundaries where the condensed species appear in our calculation. We find that the composition of condensate clouds depends strongly on both the H:O and C:O ratios. For the super-Earth archetype GJ 1214b, KCl and ZnS are the primary cloud-forming condensates at solar composition, in agreement with previous work. However, for oxidizing atmospheres, K{sub 2}SO{sub 4} and ZnO condensates are favored instead, and for carbon-rich atmospheres with super-solar C:O ratios, graphite clouds appear. For even hotter planets, clouds form from a wide variety of rock-forming and metallic species.« less

Dropwise condensation on hydrophobic bumps and dimples

NASA Astrophysics Data System (ADS)

Yao, Yuehan; Aizenberg, Joanna; Park, Kyoo-Chul

2018-04-01

Surface topography plays an important role in promoting or suppressing localized condensation. In this work, we study the growth of water droplets on hydrophobic convex surface textures such as bumps and concave surface textures such as dimples with a millimeter scale radius of curvature. We analyze the spatio-temporal droplet size distribution under a supersaturation condition created by keeping the uniform surface temperature below the dew point and show its relationship with the sign and magnitude of the surface curvature. In particular, in contrast to the well-known capillary condensation effect, we report an unexpectedly less favorable condensation on smaller, millimeter-scale dimples where the capillary condensation effect is negligible. To explain these experimental results, we numerically calculated the diffusion flux of water vapor around the surface textures, showing that its magnitude is higher on bumps and lower on dimples compared to a flat surface. We envision that our understanding of millimetric surface topography can be applied to improve the energy efficiency of condensation in applications such as water harvesting, heating, ventilation, and air conditioning systems for buildings and transportation, heat exchangers, thermal desalination plants, and fuel processing systems.

Thermo-optical interactions in a dye-microcavity photon Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Alaeian, Hadiseh; Schedensack, Mira; Bartels, Clara; Peterseim, Daniel; Weitz, Martin

2017-11-01

Superfluidity and Bose-Einstein condensation are usually considered as two closely related phenomena. Indeed, in most macroscopic quantum systems, like liquid helium, ultracold atomic Bose gases, and exciton-polaritons, condensation and superfluidity occur in parallel. In photon Bose-Einstein condensates realized in the dye microcavity system, thermalization does not occur by direct interaction of the condensate particles as in the above described systems, i.e. photon-photon interactions, but by absorption and re-emission processes on the dye molecules, which act as a heat reservoir. Currently, there is no experimental evidence for superfluidity in the dye microcavity system, though effective photon interactions have been observed from thermo-optic effects in the dye medium. In this work, we theoretically investigate the implications of effective thermo-optic photon interactions, a temporally delayed and spatially non-local effect, on the photon condensate, and derive the resulting Bogoliubov excitation spectrum. The calculations suggest a linear photon dispersion at low momenta, fulfilling the Landau’s criterion of superfluidity. We envision that the temporally delayed and long-range nature of the thermo-optic photon interaction offer perspectives for novel quantum fluid phenomena.

Linear actuation using milligram quantities of CL-20 and TAGDNAT.

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

Snedigar, Shane; Salton, Jonathan Robert; Tappan, Alexander Smith

2009-07-01

There are numerous applications for small-scale actuation utilizing pyrotechnics and explosives. In certain applications, especially when multiple actuation strokes are needed, or actuator reuse is required, it is desirable to have all gaseous combustion products with no condensed residue in the actuator cylinder. Toward this goal, we have performed experiments on utilizing milligram quantities of high explosives to drive a millimeter-diameter actuator with a stroke of 30 mm. Calculations were performed to select proper material quantities to provide 0.5 J of actuation energy. This was performed utilizing the thermochemical code Cheetah to calculate the impetus for numerous propellants and tomore » select quantities based on estimated efficiencies of these propellants at small scales. Milligram quantities of propellants were loaded into a small-scale actuator and ignited with an ignition increment and hot wire ignition. Actuator combustion chamber pressure was monitored with a pressure transducer and actuator stroke was monitored using a laser displacement meter. Total actuation energy was determined by calculating the kinetic energy of reaction mass motion against gravity. Of the materials utilized, the best performance was obtained with a mixture of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) and bis-triaminoguanidinium(3,3{prime}dinitroazotriazolate) (TAGDNAT).« less

HCl in rocket exhaust clouds - Atmospheric dispersion, acid aerosol characteristics, and acid rain deposition

NASA Technical Reports Server (NTRS)

Pellett, G. L.; Sebacher, D. I.; Bendura, R. J.; Wornom, D. E.

1983-01-01

Both measurements and model calculations of the temporal dispersion of peak HCl (g + aq) concentration in Titan III exhaust clouds are found to be well characterized by one-term power-law decay expressions. The respective coefficients and decay exponents, however, are found to vary widely with meteorology. The HCl (g), HCl (g + aq), dewpoint, and temperature-pressure-altitude data for Titan III exhaust clouds are consistent with accurately calculated HCl/H2O vapor-liquid compositions for a model quasi-equilibrated flat surface aqueous aerosol. Some cloud evolution characteristics are also defined. Rapid and extensive condensation of aqueous acid clearly occurs during the first three min of cloud rise. Condensation is found to be intensified by the initial entrainment of relatively moist ambient air from lower levels, that is, from levels below eventual cloud stabilization. It is pointed out that if subsequent dilution air at stabilization altitude is significantly drier, a state of maximum condensation soon occurs, followed by an aerosol evaporation phase.

Sodium sulfate: Vaporization thermodynamics and role in corrosive flames

NASA Technical Reports Server (NTRS)

Kohl, F. J.

1975-01-01

Gaseous species over liquid Na2SO4 were identified by the technique of molecular beam mass spectrometry. The heat and entropy of vaporization of the Na2SO4 molecule were measured directly. Comparisons of the experimental entropy with values calculated using various molecular parameters were used to estimate the molecular structure and vibrational frequencies. The thermodynamic properties of gaseous and condensed phase Na2SO4, along with additional pertinent species, were used in a computer program to calculate equilibrium flame compositions and temperatures for representative turbine engine and burner rig flames. Compositions were calculated at various fuel-to-oxidant ratios with additions of sulfur to the fuel and the components of sea salt to the intake air. Temperatures for condensation of Na2SO4 were obtained as a function of sulfur and sea salt concentrations.

Tank System Integrated Model: A Cryogenic Tank Performance Prediction Program

NASA Technical Reports Server (NTRS)

Bolshinskiy, L. G.; Hedayat, A.; Hastings, L. J.; Sutherlin, S. G.; Schnell, A. R.; Moder, J. P.

2017-01-01

Accurate predictions of the thermodynamic state of the cryogenic propellants, pressurization rate, and performance of pressure control techniques in cryogenic tanks are required for development of cryogenic fluid long-duration storage technology and planning for future space exploration missions. This Technical Memorandum (TM) presents the analytical tool, Tank System Integrated Model (TankSIM), which can be used for modeling pressure control and predicting the behavior of cryogenic propellant for long-term storage for future space missions. Utilizing TankSIM, the following processes can be modeled: tank self-pressurization, boiloff, ullage venting, mixing, and condensation on the tank wall. This TM also includes comparisons of TankSIM program predictions with the test data andexamples of multiphase mission calculations.

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.

PubMed

Duan, Yong; Wu, Chun; Chowdhury, Shibasish; Lee, Mathew C; Xiong, Guoming; Zhang, Wei; Yang, Rong; Cieplak, Piotr; Luo, Ray; Lee, Taisung; Caldwell, James; Wang, Junmei; Kollman, Peter

2003-12-01

Molecular mechanics models have been applied extensively to study the dynamics of proteins and nucleic acids. Here we report the development of a third-generation point-charge all-atom force field for proteins. Following the earlier approach of Cornell et al., the charge set was obtained by fitting to the electrostatic potentials of dipeptides calculated using B3LYP/cc-pVTZ//HF/6-31G** quantum mechanical methods. The main-chain torsion parameters were obtained by fitting to the energy profiles of Ace-Ala-Nme and Ace-Gly-Nme di-peptides calculated using MP2/cc-pVTZ//HF/6-31G** quantum mechanical methods. All other parameters were taken from the existing AMBER data base. The major departure from previous force fields is that all quantum mechanical calculations were done in the condensed phase with continuum solvent models and an effective dielectric constant of epsilon = 4. We anticipate that this force field parameter set will address certain critical short comings of previous force fields in condensed-phase simulations of proteins. Initial tests on peptides demonstrated a high-degree of similarity between the calculated and the statistically measured Ramanchandran maps for both Ace-Gly-Nme and Ace-Ala-Nme di-peptides. Some highlights of our results include (1) well-preserved balance between the extended and helical region distributions, and (2) favorable type-II poly-proline helical region in agreement with recent experiments. Backward compatibility between the new and Cornell et al. charge sets, as judged by overall agreement between dipole moments, allows a smooth transition to the new force field in the area of ligand-binding calculations. Test simulations on a large set of proteins are also discussed. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 1999-2012, 2003

Quantum turbulence and correlations in Bose-Einstein condensate collisions

NASA Astrophysics Data System (ADS)

Norrie, A. A.; Ballagh, R. J.; Gardiner, C. W.

2006-04-01

We investigate numerically simulated collisions between experimentally realistic Bose-Einstein condensate wave packets, within a regime where highly populated scattering haloes are formed. The theoretical basis for this work is the truncated Wigner method, for which we present a detailed derivation, paying particular attention to its validity regime for colliding condensates. This paper is an extension of our previous Letter [A. A. Norrie, R. J. Ballagh, and C. W. Gardiner, Phys. Rev. Lett. 94, 040401 (2005)], and we investigate both single-trajectory solutions, which reveal the presence of quantum turbulence in the scattering halo, and ensembles of trajectories, which we use to calculate quantum-mechanical correlation functions of the field.

Resolution of 90 nm (lambda/5) in an optical transmission microscope with an annular condenser.

PubMed

Vainrub, Arnold; Pustovyy, Oleg; Vodyanoy, Vitaly

2006-10-01

Resolution of 90 nm was achieved with a research microscope simply by replacing the standard bright-field condenser with a homebuilt illumination system with a cardioid annular condenser. Diffraction gratings with 100 nm width lines as well as less than 100 nm size features of different-shaped objects were clearly visible on a calibrated microscope test slide. The resolution increase results from a known narrower diffraction pattern in coherent illumination for the annular aperture compared with the circular aperture. This explanation is supported by an excellent accord of calculated and measured diffraction patterns for a 50 nm radius disk.

Cloud condensation nucleus counter by impactor sampling technique

NASA Technical Reports Server (NTRS)

Ohtake, T.

1981-01-01

Unlike typical CCN counters, this device counts the numbers of water droplets condensed on aerosol particles sampled on a microcover glass at various different relative humidities. The relative humidities ranged from 75 percent to a calculated value of 110 percent. A schematic of the apparatus is shown. The individual CCN can be identified in an optical micrograph and scanning electron micrograph and may be inspected for their chemical composition later.

Quantum mechanical force fields for condensed phase molecular simulations

NASA Astrophysics Data System (ADS)

Giese, Timothy J.; York, Darrin M.

2017-09-01

Molecular simulations are powerful tools for providing atomic-level details into complex chemical and physical processes that occur in the condensed phase. For strongly interacting systems where quantum many-body effects are known to play an important role, density-functional methods are often used to provide the model with the potential energy used to drive dynamics. These methods, however, suffer from two major drawbacks. First, they are often too computationally intensive to practically apply to large systems over long time scales, limiting their scope of application. Second, there remain challenges for these models to obtain the necessary level of accuracy for weak non-bonded interactions to obtain quantitative accuracy for a wide range of condensed phase properties. Quantum mechanical force fields (QMFFs) provide a potential solution to both of these limitations. In this review, we address recent advances in the development of QMFFs for condensed phase simulations. In particular, we examine the development of QMFF models using both approximate and ab initio density-functional models, the treatment of short-ranged non-bonded and long-ranged electrostatic interactions, and stability issues in molecular dynamics calculations. Example calculations are provided for crystalline systems, liquid water, and ionic liquids. We conclude with a perspective for emerging challenges and future research directions.

Miniature Heat Transport System for Spacecraft Thermal Control

NASA Technical Reports Server (NTRS)

Ochterbeck, Jay M.; Ku, Jentung (Technical Monitor)

2002-01-01

Loop heat pipes (LHP) are efficient devices for heat transfer and use the basic principle of a closed evaporation-condensation cycle. The advantage of using a loop heat pipe over other conventional methods is that large quantities of heat can be transported through a small cross-sectional area over a considerable distance with no additional power input to the system. By using LHPs, it seems possible to meet the growing demand for high-power cooling devices. Although they are somewhat similar to conventional heat pipes, LHPs have a whole set of unique properties, such as low pressure drops and flexible lines between condenser and evaporator, that make them rather promising. LHPs are capable of providing a means of transporting heat over long distances with no input power other than the heat being transported because of the specially designed evaporator and the separation of liquid and vapor lines. For LHP design and fabrication, preliminary analysis on the basis of dimensionless criteria is necessary because of certain complicated phenomena that take place in the heat pipe. Modeling the performance of the LHP and miniaturizing its size are tasks and objectives of current research. In the course of h s work, the LHP and its components, including the evaporator (the most critical and complex part of the LHP), were modeled with the corresponding dimensionless groups also being investigated. Next, analysis of heat and mass transfer processes in the LHP, selection of the most weighted criteria from known dimensionless groups (thermal-fluid sciences), heat transfer rate limits, (heat pipe theory), and experimental ratios which are unique to a given heat pipe class are discussed. In the third part of the report, two-phase flow heat and mass transfer performances inside the LHP condenser are analyzed and calculated for Earth-normal gravity and microgravity conditions. On the basis of recent models and experimental databanks, an analysis for condensing two-phase flow regimes, pressure gradients, and local heat transfer coefficients using ammonia, propylene, and R134, are carried out.

Superhydrophobic Ag nanostructures on polyaniline membranes with strong SERS enhancement.

PubMed

Liu, Weiyu; Miao, Peng; Xiong, Lu; Du, Yunchen; Han, Xijiang; Xu, Ping

2014-11-07

We demonstrate here a facile fabrication of n-dodecyl mercaptan-modified superhydrophobic Ag nanostructures on polyaniline membranes for molecular detection based on SERS technique, which combines the superhydrophobic condensation effect and the high enhancement factor. It is calculated that the as-fabricated superhydrophobic substrate can exhibit a 21-fold stronger molecular condensation, and thus further amplifies the SERS signal to achieve more sensitive detection. The detection limit of the target molecule, methylene blue (MB), on this superhydrophobic substrate can be 1 order of magnitude higher than that on the hydrophilic substrate. With high reproducibility, the feasibility of using this SERS-active superhydrophobic substrate for quantitative molecular detection is explored. A partial least squares (PLS) model was established for the quantification of MB by SERS, with correlation coefficient R(2) = 95.1% and root-mean-squared error of prediction (RMSEP) = 0.226. We believe this superhydrophobic SERS substrate can be widely used in trace analysis due to its facile fabrication, high signal reproducibility and promising SERS performance.

Photoluminescence and gain/absorption spectra of a driven-dissipative electron-hole-photon condensate

NASA Astrophysics Data System (ADS)

Hanai, Ryo; Littlewood, Peter B.; Ohashi, Yoji

2018-06-01

We investigate theoretically nonequilibrium effects on photoluminescence and gain/absorption spectra of a driven-dissipative exciton-polariton condensate, by employing the combined Hartree-Fock-Bogoliubov theory with the generalized random phase approximation extended to the Keldysh formalism. Our calculated photoluminescence spectra is in semiquantitative agreement with experiments, where features such as a blue shift of the emission from the condensate, the appearance of the dispersionless feature of a diffusive Goldstone mode, and the suppression of the dispersive profile of the mode are obtained. We show that the nonequilibrium nature of the exciton-polariton condensate strongly suppresses the visibility of the Bogoliubov dispersion in the negative energy branch (ghost branch) in photoluminescence spectra. We also show that the trace of this branch can be captured as a hole burning effect in gain/absorption spectra. Our results indicate that the nonequilibrium nature of the exciton-polariton condensate strongly reduces quantum depletion, while a scattering channel to the ghost branch is still present.

Experimental and analytical investigation of 0 G condensation in a mechanical refrigeration system application

NASA Technical Reports Server (NTRS)

Keshock, E. G.

1975-01-01

Basic equations of momentum and energy are presented and discussed with respect to heat transfer and pressure drop for forced flow condensation in horizontal tubes under 1-g and 0-g conditions. Some experimental results are presented for condensing refrigerant-12 in a system of three parallel-connected quartz tubes (3-mm inside diameter, G = 1.037 to 3.456 x 105 lbm/hr-sq. ft). From high speed photographs, measurements were obtained of film thickness, phase velocities, disturbance wavelengths, and flow regimes and their transitions. Based upon these measurements various dimensionless force ratios (flow and instability parameters) were calculated. Under 0-g conditions a uniformly thick redistribution of liquid condensate about the tube walls was found to result in a lowered heat transfer coefficient as compared with 1-g conditions, based upon fundamental heat transfer theory. A model is proposed that takes into account the difference in heat transfer due to condensate distribution under 1-g and 0-g conditions.

Parameterization of bulk condensation in numerical cloud models

NASA Technical Reports Server (NTRS)

Kogan, Yefim L.; Martin, William J.

1994-01-01

The accuracy of the moist saturation adjustment scheme has been evaluated using a three-dimensional explicit microphysical cloud model. It was found that the error in saturation adjustment depends strongly on the Cloud Condensation Nucleii (CCN) concentration in the ambient atmosphere. The scheme provides rather accurate results in the case where a sufficiently large number of CCN (on the order of several hundred per cubic centimeter) is available. However, under conditions typical of marine stratocumulus cloud layers with low CCN concentration, the error in the amounts of condensed water vapor and released latent heat may be as large as 40%-50%. A revision of the saturation adjustment scheme is devised that employs the CCN concentration, dynamical supersaturation, and cloud water content as additional variables in the calculation of the condensation rate. The revised condensation model reduced the error in maximum updraft and cloud water content in the climatically significant case of marine stratocumulus cloud layers by an order of magnitude.

Performances of condensation boilers of the dry type observed in the laboratory and in operation (in French)

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

Pelloux-Prayer, D.; Rottenberg, J.; Ours, A.

1982-01-01

Studies have shown that the dry type of condensation boiler offers substantial energy savings in residential space heating. For collective heating, laboratory efficiencies of 85-95% were confirmed in the field by a condensation boiler operating in a 75-unit apartment house. Compared with conventional boilers, the condensation type uses 15-21% less energy. Retrofitting existing boilers involves routing the flue gas through a heat exchanger placed in the return-water system and providing drainage for the condensates.

Study of toluene rotary fluid management device and shear flow condenser performance for a space-based organic Rankine power system

NASA Technical Reports Server (NTRS)

Havens, Vance; Ragaller, Dana

1988-01-01

Management of two-phase fluid and control of the heat transfer process in microgravity is a technical challenge that must be addressed for an orbital Organic Rankine Cycle (ORC) application. A test program was performed in 1-g that satisfactorily demonstrated the two-phase management capability of the rotating fluid management device (RFMD) and shear-flow condenser. Operational tests of the RFMD and shear flow condenser in adverse gravity orientations, confirmed that the centrifugal forces in the RFMD and the shear forces in the condenser were capable of overcoming gravity forces. In a microgravity environment, these same forces would not have to compete against gravity and would therefore be dominant. The specific test program covered the required operating range of the Space Station Solar Dynamic Rankine Cycle power system. Review of the test data verified that: fluid was pumped from the RFMD in all attitudes; subcooled states in the condenser were achieved; condensate was pushed uphill against gravity; and noncondensible gases were swept through the condenser.

Patterns in the sky: Natural visualization of aircraft flow fields

NASA Technical Reports Server (NTRS)

Campbell, James F.; Chambers, Joseph R.

1994-01-01

The objective of the current publication is to present the collection of flight photographs to illustrate the types of flow patterns that were visualized and to present qualitative correlations with computational and wind tunnel results. Initially in section 2, the condensation process is discussed, including a review of relative humidity, vapor pressure, and factors which determine the presence of visible condensate. Next, outputs from computer code calculations are postprocessed by using water-vapor relationships to determine if computed values of relative humidity in the local flow field correlate with the qualitative features of the in-flight condensation patterns. The photographs are then presented in section 3 by flow type and subsequently in section 4 by aircraft type to demonstrate the variety of condensed flow fields that was visualized for a wide range of aircraft and flight maneuvers.

Electric field enhanced dropwise condensation on hydrophobic surfaces

NASA Astrophysics Data System (ADS)

Baratian, Davood; Hoek, Harmen; van den Ende, Dirk; Mugele, Frieder; Physics of Complex Fluids Team

2016-11-01

Dropwise condensation occurs when vapor condenses on a low surface energy surface, and the substrate is just partially wetted by the condensate. Dropwise condensation has attracted significant attention due to its reported superior heat transfer performance compared to filmwise condensation. Extensive research efforts are focused on how to promote, and enhance dropwise condensation by considering both physical and chemical factors. We have studied electrowetting-actuated condensation on hydrophobic surfaces, aiming for enhancement of heat transfer in dropwise condensation. The idea is to use suitably structured patterns of micro-electrodes that generate a heterogeneous electric field at the interface and thereby promote both the condensation itself and the shedding of condensed drops. Comforting the shedding of droplets on electrowetting-functionalized surfaces allows more condensing surface area for re-nucleation of small droplets, leading to higher condensation rates. Possible applications of this innovative concept include heat pipes for (micro) coolers in electronics as well as in more efficient heat exchangers. We acknowledge financial support by the Dutch Technology Foundation STW, which is part of the Netherlands Organization for Scientific Research (NWO), within the VICI program.

Capillary-wave dynamics and interface structure modulation in binary Bose-Einstein condensate mixtures

NASA Astrophysics Data System (ADS)

Indekeu, Joseph O.; Van Thu, Nguyen; Lin, Chang-You; Phat, Tran Huu

2018-04-01

The localized low-energy interfacial excitations, or interfacial Nambu-Goldstone modes, of phase-segregated binary mixtures of Bose-Einstein condensates are investigated analytically. To this end a double-parabola approximation (DPA) is performed on the Lagrangian density in Gross-Pitaevskii theory for a system in a uniform potential. This DPA entails a model in which analytic expressions are obtained for the excitations underlying capillary waves or ripplons for arbitrary strength K (>1 ) of the phase segregation. The dispersion relation ω (k ) ∝k3 /2 is derived directly from the Bogoliubov-de Gennes equations in the limit that the wavelength 2 π /k is much larger than the interface width. The proportionality constant in the dispersion relation provides the static interfacial tension. A correction term in ω (k ) of order k5 /2 is calculated analytically within the DPA model. The combined result is tested against numerical diagonalization of the exact Bogoliubov-de Gennes equations. Satisfactory agreement is obtained in the range of physically relevant wavelengths. The ripplon dispersion relation is relevant to state-of-the-art experiments using (quasi)uniform optical-box traps. Furthermore, within the DPA model explicit expressions are obtained for the structural deformation of the interface due to the passing of the capillary wave. It is found that the amplitude of the wave is enhanced by an amount that is quadratic in the ratio of the phase velocity ω /k to the sound velocity c . For generic mixtures consisting of condensates with unequal healing lengths, an additional modulation is predicted of the common value of the condensate densities at the interface.

Stratospheric aircraft exhaust plume and wake chemistry

NASA Technical Reports Server (NTRS)

Miake-Lye, R. C.; Martinez-Sanchez, M.; Brown, R. C.; Kolb, C. E.; Worsnop, D. R.; Zahniser, M. S.; Robinson, G. N.; Rodriguez, J. M.; Ko, M. K. W.; Shia, R-L.

1993-01-01

Progress to date in an ongoing study to analyze and model emissions leaving a proposed High Speed Civil Transport (HSCT) from when the exhaust gases leave the engine until they are deposited at atmospheric scales in the stratosphere is documented. A kinetic condensation model was implemented to predict heterogeneous condensation in the plume regime behind an HSCT flying in the lower stratosphere. Simulations were performed to illustrate the parametric dependence of contrail droplet growth on the exhaust condensation nuclei number density and size distribution. Model results indicate that the condensation of water vapor is strongly dependent on the number density of activated CN. Incorporation of estimates for dilution factors into a Lagrangian box model of the far-wake regime with scale-dependent diffusion indicates negligible decrease in ozone and enhancement of water concentrations of 6-13 times background, which decrease rapidly over 1-3 days. Radiative calculations indicate a net differential cooling rate of the plume about 3K/day at the beginning of the wake regime, with a total subsidence ranging between 0.4 and 1 km. Results from the Lagrangian plume model were used to estimate the effect of repeated superposition of aircraft plumes on the concentrations of water and NO(y) along a flight corridor. Results of laboratory studies of heterogeneous chemistry are also described. Kinetics of HCl, N2O5 and ClONO2 uptake on liquid sulfuric acid were measured as a function of composition and temperature. Refined measurements of the thermodynamics of nitric acid hydrates indicate that metastable dihydrate may play a role in the nucleation of more stable trihydrates PSC's.

Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase

NASA Astrophysics Data System (ADS)

Xu, Wenwen; Wu, Fengqi; Zhao, Yanying; Zhou, Ran; Wang, Huigang; Zheng, Xuming; Ni, Bukuo

2017-03-01

The isotropic and anisotropic Raman spectra of acetone and deuterated acetone isolated in an argon matrix have been recorded for the understanding of noncoincidence effect (NCE) phenomenon. According to the matrix isolated Raman spectra and DFT calculations, we proposed aggregated model for the explanations of the acetone C=O vibration NCE phenomenon and its concentration effect. The experimental data were in consistence with the DFT calculations performed at the B3LYP-D3/6-311 G (d,p) levels based on the proposed model. The experimental identification of the monomer, dimer and trimer are reported here, and the dynamic of the transformation from monomer to aggregated structure can be easily controlled by tuning annealing temperature.

Heat-transfer enhancement of two-phase closed thermosyphon using a novel cross-flow condenser

NASA Astrophysics Data System (ADS)

Aghel, Babak; Rahimi, Masoud; Almasi, Saeed

2017-03-01

The present study reports the heat-transfer performance of a two-phase closed thermosyphon (TPCT) equipped with a novel condenser. Distillated water was used as working fluid, with a volumetric liquid filling ratio of 75 %. An increase in heat flux was used to measure the response of the TPCT, including variations in temperature distribution, thermal resistance, average temperature of each section of TPCT and overall thermal difference. Results show that for various power inputs from 71 to 960 W, the TPCT with the novel condenser had a lower wall-temperature difference between the evaporator and condenser sections than did the unmodified TPCT. Given the experimental data for heat-transfer performance, it was found that the thermal resistance in the TPCT equipped with the proposed condenser was between 10 and 17 % lower than in the one without.

A Comprehensive Model of Electric-Field-Enhanced Jumping-Droplet Condensation on Superhydrophobic Surfaces.

PubMed

Birbarah, Patrick; Li, Zhaoer; Pauls, Alexander; Miljkovic, Nenad

2015-07-21

Superhydrophobic micro/nanostructured surfaces for dropwise condensation have recently received significant attention due to their potential to enhance heat transfer performance by shedding positively charged water droplets via coalescence-induced droplet jumping at length scales below the capillary length and allowing the use of external electric fields to enhance droplet removal and heat transfer, in what has been termed electric-field-enhanced (EFE) jumping-droplet condensation. However, achieving optimal EFE conditions for enhanced heat transfer requires capturing the details of transport processes that is currently lacking. While a comprehensive model has been developed for condensation on micro/nanostructured surfaces, it cannot be applied for EFE condensation due to the dynamic droplet-vapor-electric field interactions. In this work, we developed a comprehensive physical model for EFE condensation on superhydrophobic surfaces by incorporating individual droplet motion, electrode geometry, jumping frequency, field strength, and condensate vapor-flow dynamics. As a first step toward our model, we simulated jumping droplet motion with no external electric field and validated our theoretical droplet trajectories to experimentally obtained trajectories, showing excellent temporal and spatial agreement. We then incorporated the external electric field into our model and considered the effects of jumping droplet size, electrode size and geometry, condensation heat flux, and droplet jumping direction. Our model suggests that smaller jumping droplet sizes and condensation heat fluxes require less work input to be removed by the external fields. Furthermore, the results suggest that EFE electrodes can be optimized such that the work input is minimized depending on the condensation heat flux. To analyze overall efficiency, we defined an incremental coefficient of performance and showed that it is very high (∼10(6)) for EFE condensation. We finally proposed mechanisms for condensate collection which would ensure continuous operation of the EFE system and which can scalably be applied to industrial condensers. This work provides a comprehensive physical model of the EFE condensation process and offers guidelines for the design of EFE systems to maximize heat transfer.

The calculation of the phase equilibrium of the multicomponent hydrocarbon systems

NASA Astrophysics Data System (ADS)

Molchanov, D. A.

2018-01-01

Hydrocarbon mixtures filtration process simulation development has resulted in use of cubic equations of state of the van der Waals type to describe the thermodynamic properties of natural fluids under real thermobaric conditions. Binary hydrocarbon systems allow to simulate the fluids of different types of reservoirs qualitatively, what makes it possible to carry out the experimental study of their filtration features. Exploitation of gas-condensate reservoirs shows the possibility of existence of various two-phase filtration regimes, including self-oscillatory one, which occurs under certain values of mixture composition, temperature and pressure drop. Plotting of the phase diagram of the model mixture is required to determine these values. A software package to calculate the vapor-liquid equilibrium of binary systems using cubic equation of state of the van der Waals type has been created. Phase diagrams of gas-condensate model mixtures have been calculated.

Evolution of a dark soliton in a parabolic potential: Application to Bose-Einstein condensates

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

Brazhnyi, V.A.; Konotop, V.V.

2003-10-01

Evolution of a dark soliton in a one-dimensional Bose-Einstein condensate trapped by a harmonic potential is studied analytically and numerically. In the case of a deep soliton, main characteristics of its motion such as frequency and amplitude of oscillations are calculated by means of the perturbation theory which in the leading order results in a Newtonian dynamics, corrections to which are computed as well.

Localized excitations at the Mott insulator-superfluid interfaces for confined Bose-Einstein condensates.

PubMed

Mariani, Eros; Stern, Ady

2005-12-31

In this Letter, we derive the dispersion relation of the surface waves at the interfaces between Mott-insulating and superfluid domains for a two-dimensional Bose-Einstein condensate in an optical lattice subjected to a confining potential. We then calculate their contribution to the heat capacity of the system and show how its low-temperature scaling allows an experimental test of the existence and properties of Mott insulator-superfluid domains.

Bose-Einstein condensation in the relativistic ideal Bose gas.

PubMed

Grether, M; de Llano, M; Baker, George A

2007-11-16

The Bose-Einstein condensation (BEC) critical temperature in a relativistic ideal Bose gas of identical bosons, with and without the antibosons expected to be pair-produced abundantly at sufficiently hot temperatures, is exactly calculated for all boson number densities, all boson point rest masses, and all temperatures. The Helmholtz free energy at the critical BEC temperature is lower with antibosons, thus implying that omitting antibosons always leads to the computation of a metastable state.

EXPERIMENTAL EVALUATION OF A NOVEL FULL-SCALE EVAPORATIVELY COOLED CONDENSER

EPA Science Inventory

The report compares the performance of a novel evaporatively cooled condenser with that of a conventional air-cooled condenser for a split-system heat pump. The system was tested in an environmentally controlled test chamber that is able to simulate test conditions as specified b...

Stability of Bose-Einstein condensates in a Kronig-Penney potential

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

Danshita, Ippei; Department of Physics, Waseda University, Okubo, Shinjuku, Tokyo 169-8555; Tsuchiya, Shunji

2007-03-15

We study the stability of Bose-Einstein condensates with superfluid currents in a one-dimensional periodic potential. By using the Kronig-Penney model, the condensate and Bogoliubov bands are analytically calculated and the stability of condensates in a periodic potential is discussed. The Landau and dynamical instabilities occur in a Kronig-Penney potential when the quasimomentum of the condensate exceeds certain critical values as in a sinusoidal potential. It is found that the onsets of the Landau and dynamical instabilities coincide with the point where the perfect transmission of low energy excitations through each potential barrier is forbidden. The Landau instability is caused bymore » the excitations with small q and the dynamical instability is caused by the excitations with q={pi}/a at their onsets, where q is the quasimomentum of excitation and a is the lattice constant. A swallow-tail energy loop appears at the edge of the first condensate band when the mean-field energy is sufficiently larger than the strength of the periodic potential. We find that the upper portion of the swallow-tail is always dynamically unstable, but the second Bogoliubov band has a phonon spectrum reflecting the positive effective mass.« less

Bose Condensation and Lasing in Optical Microstructures - Part 1

NASA Astrophysics Data System (ADS)

Szymanska, M. H.

2002-04-01

In the first part of this thesis I study the intermediate regime between ordinary lasing and a BEC of exciton polaritons. I take into account the fermionic structure of polaritons, treating the excitons as two-level systems coupled to a single mode in a microcavity. I introduce decoherence and dissipation processes to this system. Employing many-body Green function techniques, similar to those used by Abrikosov and Gor'kov in their theory of gapless superconductivity, I provide a mathematical structure that unifies models of lasers with models of condensates. This allows me to study the stability of the polariton condensate with respect to decoherence processes and the crossover between the polariton condensate and the laser. I give detailed indications of a regime in which the condensate should be observed to guide experimental work and show how to distinguish the Bose condensate from a laser. The second part of this thesis is concerned with properties of excitons and modelling of excitonic lasing in quasi-one-dimensional quantum wires. I develop a very general numerical method of calculating the properties of wires with different shapes and materials. Using this method I study the properties of very wide range of T-shaped quantum wires.

Back Propagation Artificial Neural Network and Its Application in Fault Detection of Condenser Failure in Thermo Plant

NASA Astrophysics Data System (ADS)

Ismail, Firas B.; Thiruchelvam, Vinesh

2013-06-01

Steam condenser is one of the most important equipment in steam power plants. If the steam condenser trips it may lead to whole unit shutdown, which is economically burdensome. Early condenser trips monitoring is crucial to maintain normal and safe operational conditions. In the present work, artificial intelligent monitoring systems specialized in condenser outages has been proposed and coded within the MATLAB environment. The training and validation of the system has been performed using real operational measurements captured from the control system of selected steam power plant. An integrated plant data preparation scheme for condenser outages with related operational variables has been proposed. Condenser outages under consideration have been detected by developed system before the plant control system"

Incorporation of Condensation Heat Transfer in a Flow Network Code

NASA Technical Reports Server (NTRS)

Anthony, Miranda; Majumdar, Alok

2002-01-01

Pure water is distilled from waste water in the International Space Station. The distillation assembly consists of an evaporator, a compressor and a condenser. Vapor is periodically purged from the condenser to avoid vapor accumulation. Purged vapor is condensed in a tube by coolant water prior to entering the purge pump. The paper presents a condensation model of purged vapor in a tube. This model is based on the Finite Volume Method. In the Finite Volume Method, the flow domain is discretized into multiple control volumes and a simultaneous analysis is performed.

Recovery of condensate water quality in power generator's surface condenser

NASA Astrophysics Data System (ADS)

Kurniawan, Lilik Adib

2017-03-01

In PT Badak NGL Plant, steam turbines are used to drive major power generators, compressors, and pumps. Steam exiting the turbines is condensed in surface condensers to be returned to boilers. Therefore, surface condenser performance and quality of condensate water are very important. One of the recent problem was caused by the leak of a surface condenser of Steam Turbine Power Generator. Thesteam turbine was overhauled, leaving the surface condenser idle and exposed to air for more than 1.5 years. Sea water ingress due to tube leaks worsens the corrosionof the condenser shell. The combination of mineral scale and corrosion product resulting high conductivity condensate at outlet condenser when we restarted up, beyond the acceptable limit. After assessing several options, chemical cleaning was the best way to overcome the problem according to condenser configuration. An 8 hour circulation of 5%wt citric acid had succeed reducing water conductivity from 50 μmhos/cm to below 5 μmhos/cm. The condensate water, then meets the required quality, i.e. pH 8.3 - 9.0; conductivity ≤ 5 μmhos/cm, therefore the power generator can be operated normally without any concern until now.

Molecular dynamics simulation of Bu4N+ in dimethylformamide: Solvation-induced volume changes

NASA Astrophysics Data System (ADS)

Kiselev, M. G.; Safonova, L. P.

2011-06-01

The structure of the Bu4N+-dimethylformamide system in the condensed and gas phases was studied by molecular dynamics simulation and quantum-chemical calculations. The calculation results were used to reveal the role played by steric effects in the volumetric characteristics of ion solvation.

Magnetoacoustic Spectroscopy in Superfluid He3-B

NASA Astrophysics Data System (ADS)

Davis, J. P.; Choi, H.; Pollanen, J.; Halperin, W. P.

2008-01-01

We have used the acoustic Faraday effect in superfluid He3 to perform high resolution spectroscopy of an excited state of the superfluid condensate, called the imaginary squashing mode. With acoustic cavity interferometry we measure the rotation of the plane of polarization of a transverse sound wave propagating in the direction of the magnetic field from which we determine the Zeeman energy of the mode. We interpret the Landé g factor, combined with the zero-field energies of this excited state, using the theory of Sauls and Serene, to calculate the strength of f-wave interactions in He3.

Liquid oil production from shale gas condensate reservoirs

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

Sheng, James J.

A process of producing liquid oil from shale gas condensate reservoirs and, more particularly, to increase liquid oil production by huff-n-puff in shale gas condensate reservoirs. The process includes performing a huff-n-puff gas injection mode and flowing the bottom-hole pressure lower than the dew point pressure.

Condensation and fractionation of rare earths in the solar nebula

NASA Technical Reports Server (NTRS)

Davis, A. M.; Grossman, L.

1979-01-01

The condensation behavior of the rare earth elements in the solar nebula is calculated on the basis of the most recent thermodynamic data in order to construct a model explaining group II rare earth element patterns in Allende inclusions. Models considered all involve the removal of large fractions of the more refractory heavy rare earth elements in an early condensate, followed by the condensation of the remainder at a lower temperature. It is shown that the model of Boynton (1975) in which one rare earth element component is dissolved nonideally in perovskite according to relative activity coefficients can not reasonably be made to fit the observed group II patterns. A model in which two rare earth components control the patterns and dissolve ideally in perovskite is proposed and shown to be able to account for the 20 patterns by variations of the perovskite removal temperature and the relative proportions of the two components.

Fault detection and diagnosis for refrigerator from compressor sensor

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

Keres, Stephen L.; Gomes, Alberto Regio; Litch, Andrew D.

A refrigerator, a sealed refrigerant system, and method are provided where the refrigerator includes at least a refrigerated compartment and a sealed refrigerant system including an evaporator, a compressor, a condenser, a controller, an evaporator fan, and a condenser fan. The method includes monitoring a frequency of the compressor, and identifying a fault condition in the at least one component of the refrigerant sealed system in response to the compressor frequency. The method may further comprise calculating a compressor frequency rate based upon the rate of change of the compressor frequency, wherein a fault in the condenser fan is identifiedmore » if the compressor frequency rate is positive and exceeds a condenser fan fault threshold rate, and wherein a fault in the evaporator fan is identified if the compressor frequency rate is negative and exceeds an evaporator fan fault threshold rate.« less

Ground-State Wave Function with Interactions between Different Species in M-Component Miscible Bose-Einstein Condensates

NASA Astrophysics Data System (ADS)

Kohno, Wataru; Kirikoshi, Akimitsu; Kita, Takafumi

2018-03-01

We construct a variational ground-state wave function of weakly interacting M-component Bose-Einstein condensates beyond the mean-field theory by incorporating the dynamical 3/2-body processes, where one of the two colliding particles drops into the condensate and vice versa. Our numerical results with various masses and particle numbers show that the 3/2-body processes between different particles make finite contributions to lowering the ground-state energy, implying that many-body correlation effects between different particles are essential even in the weak-coupling regime of the Bose-Einstein condensates. We also consider the stability condition for 2-component miscible states using the new ground-state wave function. Through this calculation, we obtain the relation UAB2/UAAUBB < 1 + α , where Uij is the effective contact potential between particles i and j and α is the correction, which originates from the 3/2- and 2-body processes.

Multi-scale study of condensation in water jets using ellipsoidal-statistical Bhatnagar-Gross-Krook and molecular dynamics modeling

NASA Astrophysics Data System (ADS)

Li, Zheng; Borner, Arnaud; Levin, Deborah A.

2014-06-01

Homogeneous water condensation and ice formation in supersonic expansions to vacuum for stagnation pressures from 12 to 1000 mbar are studied using the particle-based Ellipsoidal-Statistical Bhatnagar-Gross-Krook (ES-BGK) method. We find that when condensation starts to occur, at a stagnation pressure of 96 mbar, the increase in the degree of condensation causes an increase in the rotational temperature due to the latent heat of vaporization. The simulated rotational temperature profiles along the plume expansion agree well with measurements confirming the kinetic homogeneous condensation models and the method of simulation. Comparisons of the simulated gas and cluster number densities, cluster size for different stagnation pressures along the plume centerline were made and it is found that the cluster size increase linearly with respect to stagnation pressure, consistent with classical nucleation theory. The sensitivity of our results to cluster nucleation model and latent heat values based on bulk water, specific cluster size, or bulk ice are examined. In particular, the ES-BGK simulations are found to be too coarse-grained to provide information on the phase or structure of the clusters formed. For this reason, molecular dynamics simulations of water condensation in a one-dimensional free expansion to simulate the conditions in the core of a plume are performed. We find that the internal structure of the clusters formed depends on the stagnation temperature. A larger cluster of average size 21 was tracked down the expansion, and a calculation of its average internal temperature as well as a comparison of its radial distribution functions (RDFs) with values measured for solid amorphous ice clusters lead us to conclude that this cluster is in a solid-like rather than liquid form. In another molecular-dynamics simulation at a much lower stagnation temperature, a larger cluster of size 324 and internal temperature 200 K was extracted from an expansion plume and equilibrated to determine its RDF and self-diffusion coefficient. The value of the latter shows that this cluster is formed in a supercooled liquid state rather than in an amorphous solid state.

[Prognostic model of the space station contamination stage].

PubMed

Zlotovol'skiĭ, V M; Smolenskaia, G S

1998-01-01

Forty two non-metallic materials, 8 human metabolites and a process liquid (ethylene glycol) were selected for development of a prognostic model of space station contamination by harmful trace admixtures (HTAs). Removal technologies made allowance for absorption by atmospheric condensate (AC) and filter adsorption. Calculations took in 18 HTAs representative of 8 classes of compounds. Simulation modeling allowed to determine HTA migration rates and percent ratio (1), calculate concentrations of contaminants in the atmosphere and atmospheric condensate (2), and to assess filter efficiency by comparison of loads on the filter and a refrigeration/drying set (3). Comparison of empirical and measured data permitted conclusions about adequacy of the model and its potentiality for predicting ramifications of nominal and contingency situations.

Development of Condensing Mesh Method for Corner Domain at Numerical Simulation Magnetic System

NASA Astrophysics Data System (ADS)

Perepelkin, E.; Tarelkin, A.; Polyakova, R.; Kovalenko, A.

2018-05-01

A magnetostatic problem arises in searching for the distribution of the magnetic field generated by magnet systems of many physics research facilities, e.g., accelerators. The domain in which the boundaryvalue problem is solved often has a piecewise smooth boundary. In this case, numerical calculations of the problem require the consideration of the solution behavior in the corner domain. In this work we obtained the upper estimation of the magnetic field growth and propose a method of condensing the differential grid near the corner domain of vacuum in case of 3-dimensional space based on this estimation. An example of calculating a real model problem for SDP NICA in the domain containing a corner point is given.

QCD equation of state with almost physical quark masses

NASA Astrophysics Data System (ADS)

Cheng, M.; Christ, N. H.; Datta, S.; van der Heide, J.; Jung, C.; Karsch, F.; Kaczmarek, O.; Laermann, E.; Mawhinney, R. D.; Miao, C.; Petreczky, P.; Petrov, K.; Schmidt, C.; Soeldner, W.; Umeda, T.

2008-01-01

We present results on the equation of state in QCD with two light quark flavors and a heavier strange quark. Calculations with improved staggered fermions have been performed on lattices with temporal extent Nτ=4 and 6 on a line of constant physics with almost physical quark mass values; the pion mass is about 220 MeV, and the strange quark mass is adjusted to its physical value. High statistics results on large lattices are obtained for bulk thermodynamic observables, i.e. pressure, energy and entropy density, at vanishing quark chemical potential for a wide range of temperatures, 140MeV≤T≤800MeV. We present a detailed discussion of finite cutoff effects which become particularly significant for temperatures larger than about twice the transition temperature. At these high temperatures we also performed calculations of the trace anomaly on lattices with temporal extent Nτ=8. Furthermore, we have performed an extensive analysis of zero temperature observables including the light and strange quark condensates and the static quark potential at zero temperature. These are used to set the temperature scale for thermodynamic observables and to calculate renormalized observables that are sensitive to deconfinement and chiral symmetry restoration and become order parameters in the infinite and zero quark mass limits, respectively.

Density-induced suppression of the {alpha}-particle condensate in nuclear matter and the structure of {alpha}-cluster states in nuclei

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

Funaki, Y.; Horiuchi, H.; International Institute for Advanced Studies, Kizugawa 619-0225

2008-06-15

At low densities, with decreasing temperatures, in symmetric nuclear matter {alpha} particles are formed, which eventually give raise to a quantum condensate with four-nucleon {alpha}-like correlations (quartetting). Starting with a model of {alpha} matter, where undistorted {alpha} particles interact via an effective interaction such as the Ali-Bodmer potential, the suppression of the condensate fraction at zero temperature with increasing density is considered. Using a Jastrow-Feenberg approach, it is found that the condensate fraction vanishes near saturation density. Additionally, the modification of the internal state of the {alpha} particle due to medium effects will further reduce the condensate. In finite systems,more » an enhancement of the S-state wave function of the center-of-mass orbital of {alpha}-particle motion is considered as the correspondence to the condensate. Wave functions have been constructed for self-conjugate 4n nuclei that describe the condensate state but are fully antisymmetrized on the nucleonic level. These condensate-like cluster wave functions have been successfully applied to describe properties of low-density states near the n{alpha} threshold. Comparison with orthogonality condition model calculations in {sup 12}C and {sup 16}O shows strong enhancement of the occupation of the S-state center-of-mass orbital of the {alpha} particles. This enhancement is decreasing if the baryon density increases, similar to the density-induced suppression of the condensate fraction in {alpha} matter. The ground states of {sup 12}C and {sup 16}O show no enhancement at all, thus a quartetting condensate cannot be formed at saturation densities.« less

Many body effects in nuclear matter QCD sum rules

NASA Astrophysics Data System (ADS)

Drukarev, E. G.; Ryskin, M. G.; Sadovnikova, V. A.

2017-12-01

We calculate the single-particle nucleon characteristics in symmetric nuclear matter with inclusion of the 3N and 4N interactions. We calculated the contribution of the 3N interactions earlier, now we add that of the 4N ones. The contribution of the 4N forces to nucleon self energies is expressed in terms of the nonlocal scalar condensate (d = 3) and of the configurations of the vector-scalar and the scalar-scalar quark condensates (d = 6) in which two diquark operators act on two different nucleons of the matter.These four-quark condensates are obtained in the model-independent way. The density dependence of the nucleon effective mass, of the vector self energy and of the single-particle potential energy are obtained. We traced the dependence of the nucleon characteristics on the actual value of the pion-nucleon sigma term. We obtained also the nucleon characteristics in terms of the quasifree nucleons, with the noninteracting nucleons surrounded by their pion clouds as the starting point. This approach leads to strict hierarchy of the many body forces.

Sealing ability of lateral condensation, thermoplasticized gutta-percha and flowable gutta-percha obturation techniques: A comparative in vitro study.

PubMed

Kumar, Nallkkapalayam Somasundaram Mohan; Prabu, P S; Prabu, Neethika; Rathinasamy, Shobana

2012-08-01

To evaluate and compare the sealing ability between the clod lateral condensation, thermoplasticized gutta-percha, and flowable gutta-percha obturation technique, under a stereomicroscope at ×40 magnification. Sixty single rooted teeth were selected and canals were shaped with K3 NiTi files. Irrigation was performed with 5.25% NaOCl and 17% ethylenediaminetetraacetic acid (EDTA). The teeth were then separated into three groups depending on the type of obturation technique: Group A, obturated using the lateral condensation technique and AH Plus sealer; Group B, obturated with thermoplasticized gutta-percha tech (Obtura III Max) and AH Plus sealer; and Group C, obturated using flowable gutta-percha technique (GuttaFlow). After storing the teeth in 100% humidity for 7 days at 37°C, the roots of the teeth were sectioned at five levels. The sections were then observed under a stereomicroscope at ×40 magnification and the images were analyzed for area of voids (AV) and frequency of voids. The data were statistically analyzed using the SPSS version 17 software. The 95% confidence intervals (CI) were calculated. One-way analysis of variance with post hoc test and non-parametric Mann-Whitney U test were carried out to compare the means. The lowest mean of AV was recorded in the thermoplasticized gutta-percha (Obtura III Max) group [1.0% (95% CI=0.5-1.5)]. This was statistically and significantly different from flowable gutta-percha (GuttaFlow) group [3.0% (95% CI=2.1-3.9)]. There was no significant difference between the thermoplasticized gutta-percha group and lateral condensation group [1.6% (95% CI=1.0-2.2)] with regard to the AV, but there was a statistically significant difference between the lateral condensation and flowable gutta-percha groups. The flowable gutta-percha group showed the maximum number of voids [56% (95% CI=48-64)], which was significantly higher than those in the lateral condensation [26% (95% CI=19-34)] and thermoplasticized gutta-percha [15% (95% CI=10-21)] groups. The thermoplasticized gutta-percha technique (Obtura III Max) had better adaptability to the canal walls when compared to the flowable gutta-percha (GuttaFlow) obturation and lateral condensation techniques.

Reducing Errors in Satellite Simulated Views of Clouds with an Improved Parameterization of Unresolved Scales

NASA Astrophysics Data System (ADS)

Hillman, B. R.; Marchand, R.; Ackerman, T. P.

2016-12-01

Satellite instrument simulators have emerged as a means to reduce errors in model evaluation by producing simulated or psuedo-retrievals from model fields, which account for limitations in the satellite retrieval process. Because of the mismatch in resolved scales between satellite retrievals and large-scale models, model cloud fields must first be downscaled to scales consistent with satellite retrievals. This downscaling is analogous to that required for model radiative transfer calculations. The assumption is often made in both model radiative transfer codes and satellite simulators that the unresolved clouds follow maximum-random overlap with horizontally homogeneous cloud condensate amounts. We examine errors in simulated MISR and CloudSat retrievals that arise due to these assumptions by applying the MISR and CloudSat simulators to cloud resolving model (CRM) output generated by the Super-parameterized Community Atmosphere Model (SP-CAM). Errors are quantified by comparing simulated retrievals performed directly on the CRM fields with those simulated by first averaging the CRM fields to approximately 2-degree resolution, applying a "subcolumn generator" to regenerate psuedo-resolved cloud and precipitation condensate fields, and then applying the MISR and CloudSat simulators on the regenerated condensate fields. We show that errors due to both assumptions of maximum-random overlap and homogeneous condensate are significant (relative to uncertainties in the observations and other simulator limitations). The treatment of precipitation is particularly problematic for CloudSat-simulated radar reflectivity. We introduce an improved subcolumn generator for use with the simulators, and show that these errors can be greatly reduced by replacing the maximum-random overlap assumption with the more realistic generalized overlap and incorporating a simple parameterization of subgrid-scale cloud and precipitation condensate heterogeneity. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. SAND NO. SAND2016-7485 A

Using Thermoelectric Coolers to Enhance Loop Heat Pipe Performance

NASA Technical Reports Server (NTRS)

Ku, Jentung; Butler, Dan; Ottenstein, Laura; Birur, Gajanana

2005-01-01

Contents include the following: Loop Heat Pipe (LHP) operating temperature. LHP start-up issues. How Thermoelectric Cooler (TECs) can enhance LHP performance: start-up; operating temperature control. Experimental studies: LHP with one evaporator and one condenser; LHP with two evaporators and two condensers. Conclusion.

Flying Through Polytropes

NASA Technical Reports Server (NTRS)

Pesnell, W. Dean

2016-01-01

Dropping objects into a tunnel bored through Earth has been used to visualize simple harmonic motion for many years, and even imagined for use as rapid transport systems. Unlike previous studies that assumed a constant density Earth, here we calculate the fall-through time of polytropes, models of Earth's interior where the pressure varies as a power of the density. This means the fall-through time can be calculated as the central condensation varies from one to large within the family of polytropes. Having a family of models, rather than a single model, helps to explore the properties of planets and stars. Comparing the family of phase space solutions shows that the fall-through time and velocity approach the limit of radial free-fall onto a point mass as the central condensation increases. More condensed models give higher maximum velocities but do not have the right global properties for Earth. The angular distance one can travel along the surface is calculated as a brachistochrone (path of least time) tunnel that is a function of the depth to which the tunnel is bored. We also show that completely degenerate objects, simple models of white dwarf stars supported by completely degenerate electrons, have sizes similar to Earth but their much higher masses mean a much larger gravitational strength and a shorter fall-through time. Numerical integrations of the equations describing polytropes and completely degenerate objects are used to generate the initial models. Analytic solutions and numerical integration of the equations of motion are used to calculate the fall-through time for each model, and numerical integrations with analytic approximations at the boundaries are used to calculate the brachistochrones in the polytropes. Scaling relationships are provided to help use these results in other planets and stars.

Bose–Einstein condensation versus Dicke–Hepp–Lieb transition in an optical cavity

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

Piazza, Francesco, E-mail: francesco.piazza@ph.tum.de; Strack, Philipp; Zwerger, Wilhelm

We provide an exact solution for the interplay between Bose–Einstein condensation and the Dicke–Hepp–Lieb self-organization transition of an ideal Bose gas trapped inside a single-mode optical cavity and subject to a transverse laser drive. Based on an effective action approach, we determine the full phase diagram at arbitrary temperature, which features a bi-critical point where the transitions cross. We calculate the dynamically generated band structure of the atoms and the associated suppression of the critical temperature for Bose–Einstein condensation in the phase with a spontaneous periodic density modulation. Moreover, we determine the evolution of the polariton spectrum due to themore » coupling of the cavity photons and the atomic field near the self-organization transition, which is quite different above or below the Bose–Einstein condensation temperature. At low temperatures, the critical value of the Dicke–Hepp–Lieb transition decreases with temperature and thus thermal fluctuations can enhance the tendency to a periodic arrangement of the atoms. -- Highlights: •Atoms inside a driven cavity can undergo two transitions: self-organization and BEC. •The phase diagram has four phases which coexist at a bi-critical point. •Atom–cavity coupling creates a dynamical lattice for the atoms. •Finite temperature can enhance the tendency towards self-organization. •We calculate the detailed spectrum of the polaritonic excitations.« less

A Case Study of a Low Powervapour Compression Refrigeration System

NASA Astrophysics Data System (ADS)

Abinav, R.; Nambiar, G. K.; Sahu, Debjyoti

2016-09-01

Reported in this paper is a case study on a normal vapor compression refrigeration system which is expected to be run by photovoltaic panels to utilize minimum grid power. A small 120 W refrigerator is fabricated out of commercially available components and run by an inverter and battery connected to solar photovoltaic panel as well as grid. Temperature at several points was measured and the performance was evaluated. The Coefficient of performance (COP) to run such refrigerator is estimated after numerical simulation of major components namely, evaporator, condenser and a capillary tube. The simulation was done to obtain an effective cooling temperature and the results were compared with measured temperatures. Calculation proves to be in conformity with the actual model.

Conformational analysis of a condensed macrocyclic β-lactam by NMR and molecular dynamics calculations

NASA Astrophysics Data System (ADS)

Keserű, György M.; Vásárhelyi, Helga; Makara, Gergely

1994-09-01

The conformation of the new macrocyclic β-lactam ( 1) was investigated by NMR and molecular dynamics (MD) calculations. Restraints obtained from NOESY and ROESY experiments were introduced into MD simulations which led to well-defined conformations. The preference for the calculated minimum energy conformation was confirmed by the analysis of vicinal coupling constants. Experimental coupling constants agreed with computed values.

The Exoplanet Cloud Atlas

NASA Astrophysics Data System (ADS)

Gao, Peter; Marley, Mark S.; Morley, Caroline; Fortney, Jonathan J.

2017-10-01

Clouds have been readily inferred from observations of exoplanet atmospheres, and there exists great variability in cloudiness between planets, such that no clear trend in exoplanet cloudiness has so far been discerned. Equilibrium condensation calculations suggest a myriad of species - salts, sulfides, silicates, and metals - could condense in exoplanet atmospheres, but how they behave as clouds is uncertain. The behavior of clouds - their formation, evolution, and equilibrium size distribution - is controlled by cloud microphysics, which includes processes such as nucleation, condensation, and evaporation. In this work, we explore the cloudy exoplanet phase space by using a cloud microphysics model to simulate a suite of cloud species ranging from cooler condensates such as KCl/ZnS, to hotter condensates like perovskite and corundum. We investigate how the cloudiness and cloud particle sizes of exoplanets change due to variations in temperature, metallicity, gravity, and cloud formation mechanisms, and how these changes may be reflected in current and future observations. In particular, we will evaluate where in phase space could cloud spectral features be observable using JWST MIRI at long wavelengths, which will be dependent on the cloud particle size distribution and cloud species.

Mathematical Modeling of Dual Layer Shell Type Recuperation System for Biogas Dehumidification

NASA Astrophysics Data System (ADS)

Gendelis, S.; Timuhins, A.; Laizans, A.; Bandeniece, L.

2015-12-01

The main aim of the current paper is to create a mathematical model for dual layer shell type recuperation system, which allows reducing the heat losses from the biomass digester and water amount in the biogas without any additional mechanical or chemical components. The idea of this system is to reduce the temperature of the outflowing gas by creating two-layered counter-flow heat exchanger around the walls of biogas digester, thus increasing a thermal resistance and the gas temperature, resulting in a condensation on a colder surface. Complex mathematical model, including surface condensation, is developed for this type of biogas dehumidifier and the parameter study is carried out for a wide range of parameters. The model is reduced to 1D case to make numerical calculations faster. It is shown that latent heat of condensation is very important for the total heat balance and the condensation rate is highly dependent on insulation between layers and outside temperature. Modelling results allow finding optimal geometrical parameters for the known gas flow and predicting the condensation rate for different system setups and seasons.

Integral Reactor Containment Condensation Model and Experimental Validation

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

Wu, Qiao; Corradini, Michael

This NEUP funded project, NEUP 12-3630, is for experimental, numerical and analytical studies on high-pressure steam condensation phenomena in a steel containment vessel connected to a water cooling tank, carried out at Oregon State University (OrSU) and the University of Wisconsin at Madison (UW-Madison). In the three years of investigation duration, following the original proposal, the planned tasks have been completed: (1) Performed a scaling study for the full pressure test facility applicable to the reference design for the condensation heat transfer process during design basis accidents (DBAs), modified the existing test facility to route the steady-state secondary steam flowmore » into the high pressure containment for controllable condensation tests, and extended the operations at negative gage pressure conditions (OrSU). (2) Conducted a series of DBA and quasi-steady experiments using the full pressure test facility to provide a reliable high pressure condensation database (OrSU). (3) Analyzed experimental data and evaluated condensation model for the experimental conditions, and predicted the prototypic containment performance under accidental conditions (UW-Madison). A film flow model was developed for the scaling analysis, and the results suggest that the 1/3 scaled test facility covers large portion of laminar film flow, leading to a lower average heat transfer coefficient comparing to the prototypic value. Although it is conservative in reactor safety analysis, the significant reduction of heat transfer coefficient (50%) could under estimate the prototypic condensation heat transfer rate, resulting in inaccurate prediction of the decay heat removal capability. Further investigation is thus needed to quantify the scaling distortion for safety analysis code validation. Experimental investigations were performed in the existing MASLWR test facility at OrST with minor modifications. A total of 13 containment condensation tests were conducted for pressure ranging from 4 to 21 bar with three different static inventories of non-condensable gas. Condensation and heat transfer rates were evaluated employing several methods, notably from measured temperature gradients in the HTP as well as measured condensate formation rates. A detailed mass and energy accounting was used to assess the various measurement methods and to support simplifying assumptions required for the analysis. Condensation heat fluxes and heat transfer coefficients are calculated and presented as a function of pressure to satisfy the objectives of this investigation. The major conclusions for those tests are summarized below: (1) In the steam blow-down tests, the initial condensation heat transfer process involves the heating-up of the containment heat transfer plate. An inverse heat conduction model was developed to capture the rapid transient transfer characteristics, and the analysis method is applicable to SMR safety analysis. (2) The average condensation heat transfer coefficients for different pressure conditions and non-condensable gas mass fractions were obtained from the integral test facility, through the measurements of the heat conduction rate across the containment heat transfer plate, and from the water condensation rates measurement based on the total energy balance equation. 15 (3) The test results using the measured HTP wall temperatures are considerably lower than popular condensation models would predict mainly due to the side wall conduction effects in the existing MASLWR integral test facility. The data revealed the detailed heat transfer characteristics of the model containment, important to the SMR safety analysis and the validation of associated evaluation model. However this approach, unlike separate effect tests, cannot isolate the condensation heat transfer coefficient over the containment wall, and therefore is not suitable for the assessment of the condensation heat transfer coefficient against system pressure and noncondensable gas mass fraction. (4) The average condensation heat transfer coefficients measured from the water condensation rates through energy balance analysis are appropriate, however, with considerable uncertainties due to the heat loss and temperature distribution on the containment wall. With the consideration of the side wall conduction effects, the results indicate that the measured heat transfer coefficients in the tests is about 20% lower than the prediction of Dehbi’s correlation, mainly due to the side wall conduction effects. The investigation also indicates an increase in the condensation heat transfer coefficient at high containment pressure conditions, but the uncertainties invoked with this method appear to be substantial. (5) Non-condensable gas in the tests has little effects on the condensation heat transfer at high elevation measurement ports. It does affect the bottom measurements near the water level position. The results suggest that the heavier non-condensable gas is accumulated in the lower portion of the containment due to stratification in the narrow containment space. The overall effects of the non-condensable gas on the heat transfer process should thus be negligible for tall containments of narrow condensation spaces in most SMR designs. Therefore, the previous correlations with noncondensable gas effects are not appropriate to those small SMR containments due to the very poor mixing of steam and non-condensable gas. The MELCOR simulation results agree with the experimental data reasonably well. However, it is observed that the MELCOR overpredicts the heat flux for all analyzed tests. The MELCOR predicts that the heat fluxes for CCT’s approximately range from 30 to 45 kW/m2 whereas the experimental data (averaged) ranges from about 25 to 40 kW/m2. This may be due to the limited availability of liquid film models included in MELCOR. Also, it is believed that due to complex test geometry, measured temperature gradients across the heat transfer plate may have been underestimated and thus the heat flux had been underestimated. The MELCOR model predicts a film thickness on the order of 100 microns, which agrees very well with film flow model developed in this study for scaling analysis. However, the expected differences in film thicknesses for near vacuum and near atmospheric test conditions are not significant. Further study on the behavior of condensate film is expected to refine the simulation results. Possible refinements include but are not limited to, the followings: CFD simulation focusing on the liquid film behavior and benchmarking with experimental analyses for simpler geometries. 16 1 INTRODUCTION This NEUP funded project, NEUP 12-3630, is for experimental, numerical and analytical studies on high-pressure steam condensation phenomena in a steel containment vessel connected to a water cooling tank, carried out at Oregon State University (OrSU) and the University of Wisconsin at Madison (UW-Madison). The experimental results are employed to validate the containment condensation model in reactor containment system safety analysis code for integral SMRs. Such a containment condensation model is important to demonstrate the adequate cooling. In the three years of investigation, following the original proposal, the following planned tasks have been completed: (1) Performed a scaling study for the full pressure test facility applicable to the reference design for the condensation heat transfer process during design basis accidents (DBAs), modified the existing test facility to route the steady-state secondary steam flow into the high pressure containment for controllable condensation tests, and extended the operations at negative gage pressure conditions (OrSU). (2) Conducted a series of DBA and quasi-steady experiments using the full pressure test facility to provide a reliable high pressure condensation database (OrSU). (3) Analyzed experimental data and evaluated condensation model for the experimental conditions, and predicted the prototypic containment performance under accidental conditions (UW-Madison). The results are applicable to integral Small Modular Reactor (SMR) designs, including NuScale, mPower, Westinghouse SMR, Holtec-160 and other integral reactors with small containments of relatively high pressures under accidental conditions. Testing has been conducted at the OrSU laboratory in the existing MASLWR (Multi-Application Small Light Water Reactor) integral test facility sponsored by the US Department of Energy. Its highpressure stainless steel containment model (~2 MPa) is scaled to the NuScale SMR currently under development at NuScale Power, Inc.. Minor modifications to the model containment have been made to control the non-condensable gas fraction and to utilize the secondary loop stable steam flow for condensation testing. UW-Madison has developed a containment condensation model, which leveraged previous validated containment heat transfer work carried out at UW-Madison, and extended the range of applicability of the model to integral SMR designs that utilize containment vessels of high heat transfer efficiencies. In this final report, the research background and literature survey are presented in Chapter 2 and 3, respectively. The test facility description and modifications are summarized in Chapter 4, and the scaling analysis is introduced in Chapter 5. The tests description, procedures, and data analysis are presented in Chapter 6, while the numerical modeling is presented in Chapter 7, followed by a conclusion section in Chapter 8.« less

Experimental Evaluation of High Performance Integrated Heat Pump

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

Miller, William A; Berry, Robert; Durfee, Neal

2016-01-01

Integrated heat pump (IHP) technology provides significant potential for energy savings and comfort improvement for residential buildings. In this study, we evaluate the performance of a high performance IHP that provides space heating, cooling, and water heating services. Experiments were conducted according to the ASHRAE Standard 206-2013 where 24 test conditions were identified in order to evaluate the IHP performance indices based on the airside performance. Empirical curve fits of the unit s compressor maps are used in conjunction with saturated condensing and evaporating refrigerant conditions to deduce the refrigerant mass flowrate, which, in turn was used to evaluate themore » refrigerant side performance as a check on the airside performance. Heat pump (compressor, fans, and controls) and water pump power were measured separately per requirements of Standard 206. The system was charged per the system manufacturer s specifications. System test results are presented for each operating mode. The overall IHP performance metrics are determined from the test results per the Standard 206 calculation procedures.« less

An Evaluation of Liquid and Two-Phase Cooling Techniques for Use in Electrical Machinery.

DTIC Science & Technology

1984-12-01

equations (3.5) & (3.6) k Thermal conductivity L Condenser length m Mass flow rate b Nu Nusselt number P Pressure Pr Prandtl number Q Heat-transfer rate...IRI finned condenser (with axially-straight or helical fins), or 4. use an internally-grooved condenser . Marto [17] presents a detailed discussion of...the appropriate models for the first two cases. For example, for rotating truncated-cone condensers , Ballback [28] performed a Nusselt -type analysis

A Critical Review of Heat Transfer Enhancement Techniques for Use in Marine Condensers.

DTIC Science & Technology

1982-09-01

horizontal tube, the Nusselt theory predicts that the condensate film is thinnest at the top of the tube, and thickens around the tube until at the...transfer coefficient. As pointed out above, the Nusselt analysis assumes that the condensate film drains from a horizontal tube in a continuous sheet...the condensate falling on the lower tubes does not deteriorate the thermal performance of these tubes because the helically - wrapped wires draw the

Chemical Analysis and Water Recovery Testing of Shuttle-Mir Humidity Condensate

NASA Technical Reports Server (NTRS)

Mudgett, Paul D.; Straub, John E., II; Schultz, John R.; Sauer, Richard L.; Williams, David E.; Bobe, L. S.; Novikov, V. M.; Andreichouk, P. O.; Protasov, N. N.

1999-01-01

Humidity condensate collected and processed in-flight is an important component of a space station drinking water supply. Water recovery systems in general are designed to handle finite concentrations of specific chemical components. Previous analyses of condensate derived from spacecraft and ground sources showed considerable variation in composition. Consequently, an investigation was conducted to collect condensate on the Shuttle while the vehicle was docked to Mir, and return the condensate to Earth for testing. This scenario emulates an early ISS configuration during a Shuttle docking, because the atmospheres intermix during docking and the condensate composition should reflect that. During the STS-89 and STS-91 flights, a total volume of 50 liters of condensate was collected and returned. Inorganic and organic chemical analyses were performed on aliquots of the fluid. Tests using the actual condensate were then conducted with scaled-down elements of the Russian condensate recovery system to determine the quality of water produced. The composition and test results are described, and implications for ISS are discussed.

Analysis of Condensation Heat Transfer Performance in Curved Triangle Microchannels Based on the Volume of Fluid Method

NASA Astrophysics Data System (ADS)

Lei, Yuchuan; Chen, Zhenqian; Shi, Juan

2017-12-01

Numerical simulations of condensation heat transfer of R134a in curved triangle microchannels with various curvatures are proposed. The model is established on the volume of fluid (VOF) approach and user-defined routines which including mass transfer at the vapor-liquid interface and latent heat. Microgravity operating condition is assumed in order to highlight the surface tension. The predictive accuracy of the model is assessed by comparing the simulated results with available correlations in the literature. Both an increased mass flux and the decreased hydraulic diameter could bring better heat transfer performance. No obvious effect of the wall heat flux is observed in condensation heat transfer coefficient. Changes in geometry and surface tension lead to a reduction of the condensate film thickness at the sides of the channel and accumulation of the condensate film at the corners of the channel. Better heat transfer performance is obtained in the curved triangle microchannels over the straight ones, and the performance could be further improved in curved triangle microchannels with larger curvatures. The minimum film thickness where most of the heat transfer process takes place exists near the corners and moves toward the corners in curved triangle microchannels with larger curvatures.

Effect of heat recovery water heater system on the performance of residential split air conditioner using hydrocarbon refrigerant (HCR22)

NASA Astrophysics Data System (ADS)

Aziz, A.; Thalal; Amri, I.; Herisiswanto; Mainil, A. K.

2017-09-01

This This paper presents the performance of residential split air conditioner (RSAC) using hydrocarbon refrigerant (HCR22) as the effect on the use of heat recovery water heater system (HRWHS). In this study, RSAC was modified with addition of dummy condenser (trombone coil type) as heat recovery water heater system (HRWHS). This HRWHS is installed between a compressor and a condenser by absorbing a part of condenser waste heat. The results show that RSAC with HRWHS is adequate to generate hot water with the temperature range about 46.58˚C - 48.81˚C when compared to without HRWHS and the use of dummy condenser does not give significant effect to the split air conditioner performance. When the use of HRWHS, the refrigerant charge has increase about 19.05%, the compressor power consumption has slightly increase about 1.42% where cooling capacity almost the same with slightly different about 0.39%. The condenser heat rejection is lower about 2.68% and the COP has slightly increased about 1.05% when compared to without HRWHS. The use of HRWHS provide free hot water, it means there is energy saving for heating water without negative impact to the system performance of RSAC.

The chiral magnetic effect and chiral symmetry breaking in SU(3) quenched lattice gauge theory

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

Braguta, V. V., E-mail: braguta@mail.ru; Buividovich, P. V., E-mail: buividovich@itep.ru; Kalaydzhyan, T., E-mail: tigran.kalaydzhyan@desy.de

2012-04-15

We study some properties of the non-Abelian vacuum induced by strong external magnetic field. We perform calculations in the quenched SU(3) lattice gauge theory with tadpole-improved Luescher-Weisz action and chirally invariant lattice Dirac operator. The following results are obtained: The chiral symmetry breaking is enhanced by the magnetic field. The chiral condensate depends on the strength of the applied field as a power function with exponent {nu} = 1.6 {+-} 0.2. There is a paramagnetic polarization of the vacuum. The corresponding susceptibility and other magnetic properties are calculated and compared with the theoretical estimations. There are nonzero local fluctuations ofmore » the chirality and electromagnetic current, which grow with the magnetic field strength. These fluctuations can be a manifestation of the Chiral Magnetic Effect.« less

Applying an economical scale-aware PDF-based turbulence closure model in NOAA NCEP GCMs

NASA Astrophysics Data System (ADS)

Belochitski, A.; Krueger, S. K.; Moorthi, S.; Bogenschutz, P.; Pincus, R.

2016-12-01

A novel unified representation of sub-grid scale (SGS) turbulence, cloudiness, and shallow convection is being implemented into the NOAA NCEP Global Forecasting System (GFS) general circulation model. The approach, known as Simplified High Order Closure (SHOC), is based on predicting a joint PDF of SGS thermodynamic variables and vertical velocity and using it to diagnose turbulent diffusion coefficients, SGS fluxes, condensation and cloudiness. Unlike other similar methods, only one new prognostic variable, turbulent kinetic energy (TKE), needs to be intoduced, making the technique computationally efficient.SHOC is now incorporated into a version of GFS, as well as into the next generation of the NCEP global model - NOAA Environmental Modeling System (NEMS). Turbulent diffusion coefficients computed by SHOC are now used in place of those produced by the boundary layer turbulence and shallow convection parameterizations. Large scale microphysics scheme is no longer used to calculate cloud fraction or the large-scale condensation/deposition. Instead, SHOC provides these variables. Radiative transfer parameterization uses cloudiness computed by SHOC.Outstanding problems include high level tropical cloud fraction being too high in SHOC runs, possibly related to the interaction of SHOC with condensate detrained from deep convection.Future work will consist of evaluating model performance and tuning the physics if necessary, by performing medium-range NWP forecasts with prescribed initial conditions, and AMIP-type climate tests with prescribed SSTs. Depending on the results, the model will be tuned or parameterizations modified. Next, SHOC will be implemented in the NCEP CFS, and tuned and evaluated for climate applications - seasonal prediction and long coupled climate runs. Impact of new physics on ENSO, MJO, ISO, monsoon variability, etc will be examined.

Demonstration of Nautilus Centripetal Capillary Condenser Technology

NASA Technical Reports Server (NTRS)

Wheeler, RIchard; Tang, Linh; Wambolt, Spencer; Golliher, Eric; Agui, Juan

2016-01-01

This paper describes the results of a proof of concept effort for development of a Nautilus Centripetal Capillary Condenser (NCCC or NC3) used for microgravity compatible water recovery from moist air with integral passive phase separation. Removal of liquid condensate from the air stream exiting a condenser is readily performed here on Earth. In order to perform this function in space however, without gravity or mechanical action, other tactics including utilization of inertial, drag and capillary forces are required. Within the NC3, liquid water forms via condensation on cold condenser surfaces as humid air passes along multiple spiral channels, each in its own plane, all together forming a stacked plate assembly. Non-mechanical inertial forces are employed to transfer condensate, as it forms, via centripetal action to the outer perimeter of each channel. A V-shaped groove, constructed on this outer edge of the spiral channel, increases local capillary forces thereby retaining the liquid. Air drag then pulls the liquid along to a collection region near the center of the device. Dry air produced by each parallel spiral channel is combined in a common orthogonal, out-of-plane conduit passing down the axial center of the stacked device. Similarly, the parallel condensate streams are combined and removed from the condenser/separator through yet another out-of-plane axial conduit. NC3 is an integration of conventional finned condenser operation, combined with static phase separation and capillary transport phenomena. A Mars' transit mission would be a logical application for this technology where gravity is absent and the use of vibrating, energy-intensive, motor-driven centrifugal separators is undesired. Here a vapor stream from either the Heat Melt Compactor or the Carbon dioxide Reduction Assembly, for example, would be dried to a dew point of 10 deg using a passive NC3 condenser/separator with the precious water condensate recycled to the water bus.

High-performance scientific computing in the cloud

NASA Astrophysics Data System (ADS)

Jorissen, Kevin; Vila, Fernando; Rehr, John

2011-03-01

Cloud computing has the potential to open up high-performance computational science to a much broader class of researchers, owing to its ability to provide on-demand, virtualized computational resources. However, before such approaches can become commonplace, user-friendly tools must be developed that hide the unfamiliar cloud environment and streamline the management of cloud resources for many scientific applications. We have recently shown that high-performance cloud computing is feasible for parallelized x-ray spectroscopy calculations. We now present benchmark results for a wider selection of scientific applications focusing on electronic structure and spectroscopic simulation software in condensed matter physics. These applications are driven by an improved portable interface that can manage virtual clusters and run various applications in the cloud. We also describe a next generation of cluster tools, aimed at improved performance and a more robust cluster deployment. Supported by NSF grant OCI-1048052.

The Development and Calculation of an Energy-saving Plant for Obtaining Water from Atmospheric Air

NASA Astrophysics Data System (ADS)

Uglanov, D. A.; Zheleznyak, K. E.; Chertykovsev, P. A.

2018-01-01

The article shows the calculation of characteristics of energy-efficient water generator from atmospheric air. This installation or the atmospheric water generator is the unique mechanism which produces safe drinking water by extraction it from air. The existing atmospheric generators allow to receive safe drinking water by means of process of condensation at air humidity at least equal to 35% and are capable to give to 25 liters of water in per day, and work from electricity. Authors offer to use instead of the condenser in the scheme of installation for increase volume of produced water by generator in per day, the following refrigerating machines: the vapor compression refrigerating machines (VCRM), the thermoelectric refrigerating machines (TRM) and the Stirling-cycle refrigerating machines (SRM). The paper describes calculation methods for each of refrigerating systems. Calculation of technical-and-economic indexes for the atmospheric water generator was carried out and the optimum system with the maximum volume of received water in per day was picked up. The atmospheric water generator which is considered in article will work from autonomous solar power station.

Steady-state balance model to calculate the indoor climate of livestock buildings, demonstrated for finishing pigs

NASA Astrophysics Data System (ADS)

Schauberger, G.; Piringer, M.; Petz, E.

The indoor climate of livestock buildings is of importance for the well-being and health of animals and their production performance (daily weight gain, milk yield etc). By using a steady-state model for the sensible and latent heat fluxes and the CO2 and odour mass flows, the indoor climate of mechanically ventilated livestock buildings can be calculated. These equations depend on the livestock (number of animals and how they are kept), the insulation of the building and the characteristics of the ventilation system (ventilation rate). Since the model can only be applied to animal houses where the ventilation systems are mechanically controlled (this is the case for a majority of finishing pig units), the calculations were done for an example of a finishing pig unit with 1000 animal places. The model presented used 30 min values of the outdoor parameters temperature and humidity, collected over a 2-year period, as input. The projected environment inside the livestock building was compared with recommended values. The duration of condensation on the inside surfaces was also calculated.

Development of a Multicenter Density Functional Tight Binding Model for Plutonium Surface Hydriding.

PubMed

Goldman, Nir; Aradi, Bálint; Lindsey, Rebecca K; Fried, Laurence E

2018-05-08

We detail the creation of a multicenter density functional tight binding (DFTB) model for hydrogen on δ-plutonium, using a framework of new Slater-Koster interaction parameters and a repulsive energy based on the Chebyshev Interaction Model for Efficient Simulation (ChIMES), where two- and three-center atomic interactions are represented by linear combinations of Chebyshev polynomials. We find that our DFTB/ChIMES model yields a total electron density of states for bulk δ-Pu that compares well to that from Density Functional Theory, as well as to a grid of energy calculations representing approximate H 2 dissociation paths on the δ-Pu (100) surface. We then perform molecular dynamics simulations and minimum energy pathway calculations to determine the energetics of surface dissociation and subsurface diffusion on the (100) and (111) surfaces. Our approach allows for the efficient creation of multicenter repulsive energies with a relatively small investment in initial DFT calculations. Our efforts are particularly pertinent to studies that rely on quantum calculations for interpretation and validation, such as experimental determination of chemical reactivity both on surfaces and in condensed phases.

Applying Quantum Monte Carlo to the Electronic Structure Problem

NASA Astrophysics Data System (ADS)

Powell, Andrew D.; Dawes, Richard

2016-06-01

Two distinct types of Quantum Monte Carlo (QMC) calculations are applied to electronic structure problems such as calculating potential energy curves and producing benchmark values for reaction barriers. First, Variational and Diffusion Monte Carlo (VMC and DMC) methods using a trial wavefunction subject to the fixed node approximation were tested using the CASINO code.[1] Next, Full Configuration Interaction Quantum Monte Carlo (FCIQMC), along with its initiator extension (i-FCIQMC) were tested using the NECI code.[2] FCIQMC seeks the FCI energy for a specific basis set. At a reduced cost, the efficient i-FCIQMC method can be applied to systems in which the standard FCIQMC approach proves to be too costly. Since all of these methods are statistical approaches, uncertainties (error-bars) are introduced for each calculated energy. This study tests the performance of the methods relative to traditional quantum chemistry for some benchmark systems. References: [1] R. J. Needs et al., J. Phys.: Condensed Matter 22, 023201 (2010). [2] G. H. Booth et al., J. Chem. Phys. 131, 054106 (2009).

Refrigerator with variable capacity compressor and cycle priming action through capacity control and associated methods

DOEpatents

Gomes, Alberto Regio; Litch, Andrew D.; Wu, Guolian

2016-03-15

A refrigerator appliance (and associated method) that includes a condenser, evaporator and a multi-capacity compressor. The appliance also includes a pressure reducing device arranged within an evaporator-condenser refrigerant circuit, and a valve system for directing or restricting refrigerant flow through the device. The appliance further includes a controller for operating the compressor upon the initiation of a compressor ON-cycle at a priming capacity above a nominal capacity for a predetermined or calculated duration.

Positive ion densities and mobilities in the upper stratosphere and mesosphere

NASA Technical Reports Server (NTRS)

Leiden, S.

1976-01-01

A brief sketch of the theory concerning the use of the Gerdien condenser as a mobility spectrometer is presented. Data reduction of three parachute borne Gerdien condenser probes is given, as well as that of one blunt conductivity probe. Comparisons of concentrations calculated by two different methods indicate consistency of results. Mobility profiles demonstrating remarkable fine structure are discussed in detail. Finally, theoretical implications of the results on ionospheric structure, including possible night-day differences and latitudinal variations, are considered.

Condensate statistics in interacting and ideal dilute bose gases

PubMed

Kocharovsky; Kocharovsky; Scully

2000-03-13

We obtain analytical formulas for the statistics, in particular, for the characteristic function and all cumulants, of the Bose-Einstein condensate in dilute weakly interacting and ideal equilibrium gases in the canonical ensemble via the particle-number-conserving operator formalism of Girardeau and Arnowitt. We prove that the ground-state occupation statistics is not Gaussian even in the thermodynamic limit. We calculate the effect of Bogoliubov coupling on suppression of ground-state occupation fluctuations and show that they are governed by a pair-correlation, squeezing mechanism.

Development of Ultra-Fine Multigroup Cross Section Library of the AMPX/SCALE Code Packages

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

Jeon, Byoung Kyu; Sik Yang, Won; Kim, Kang Seog

The Consortium for Advanced Simulation of Light Water Reactors Virtual Environment for Reactor Applications (VERA) neutronic simulator MPACT is being developed by Oak Ridge National Laboratory and the University of Michigan for various reactor applications. The MPACT and simplified MPACT 51- and 252-group cross section libraries have been developed for the MPACT neutron transport calculations by using the AMPX and Standardized Computer Analyses for Licensing Evaluations (SCALE) code packages developed at Oak Ridge National Laboratory. It has been noted that the conventional AMPX/SCALE procedure has limited applications for fast-spectrum systems such as boiling water reactor (BWR) fuels with very highmore » void fractions and fast reactor fuels because of its poor accuracy in unresolved and fast energy regions. This lack of accuracy can introduce additional error sources to MPACT calculations, which is already limited by the Bondarenko approach for resolved resonance self-shielding calculation. To enhance the prediction accuracy of MPACT for fast-spectrum reactor analyses, the accuracy of the AMPX/SCALE code packages should be improved first. The purpose of this study is to identify the major problems of the AMPX/SCALE procedure in generating fast-spectrum cross sections and to devise ways to improve the accuracy. For this, various benchmark problems including a typical pressurized water reactor fuel, BWR fuels with various void fractions, and several fast reactor fuels were analyzed using the AMPX 252-group libraries. Isotopic reaction rates were determined by SCALE multigroup (MG) calculations and compared with continuous energy (CE) Monte Carlo calculation results. This reaction rate analysis revealed three main contributors to the observed differences in reactivity and reaction rates: (1) the limitation of the Bondarenko approach in coarse energy group structure, (2) the normalization issue of probability tables, and (3) neglect of the self-shielding effect of resonance-like cross sections at high energy range such as (n,p) cross section of Cl35. The first error source can be eliminated by an ultra-fine group (UFG) structure in which the broad scattering resonances of intermediate-weight nuclides can be represented accurately by a piecewise constant function. A UFG AMPX library was generated with modified probability tables and tested against various benchmark problems. The reactivity and reaction rates determined with the new UFG AMPX library agreed very well with respect to Monte Carlo Neutral Particle (MCNP) results. To enhance the lattice calculation accuracy without significantly increasing the computational time, performing the UFG lattice calculation in two steps was proposed. In the first step, a UFG slowing-down calculation is performed for the corresponding homogenized composition, and UFG cross sections are collapsed into an intermediate group structure. In the second step, the lattice calculation is performed for the intermediate group level using the condensed group cross sections. A preliminary test showed that the condensed library reproduces the results obtained with the UFG cross section library. This result suggests that the proposed two-step lattice calculation approach is a promising option to enhance the applicability of the AMPX/SCALE system to fast system analysis.« less

Chaoticity parameter λ in two-pion interferometry in an expanding boson gas model

DOE PAGES

Liu, Jie; Ru, Peng; Zhang, Wei-Ning; ...

2014-10-15

We investigate the chaoticity parameter λ in two-pion interferometry in an expanding boson gas model. The degree of Bose-Einstein condensation of identical pions, density distributions, and Hanbury-Brown-Twiss (HBT) correlation functions are calculated for the expanding gas within the mean-field description with a harmonic oscillator potential. The results indicate that a sources with thousands of identical pions may exhibit a degree of Bose-Einstein condensation at the temperatures during the hadronic phase in relativistic heavy-ion collisions. This finite condensation may decrease the chaoticity parameter λ in the two-pion interferometry measurements at low pion pair momenta, but influence only slightly the λ valuemore » at high pion pair momentum.« less

Flow of Combustion Products Containing Condensed-Phase Particles over a Recessed Vectorable Jet Nozzle

NASA Astrophysics Data System (ADS)

Volkov, K. N.; Denisikhin, S. V.; Emel'yanov, V. N.; Teterina, I. V.

2017-09-01

The flow of combustion products containing condensed-phase particles over the recessed vectorable nozzle of a solid-propellant rocket motor was investigated with the use of the Reynolds-averaged Navier-Stokes equations, equations of the k-ɛ model of turbulence, and the Lagrange approach. The fields of flows of combustion products and the mechanical trajectories of condensed-phase particles in the charge channel, the prenozzle space, and the nozzle unit of this motor were calculated for different angles of swing of the nozzle. The formation of vortices in the gas flow in the neighborhood of the downstream cover of the nozzle and their influence on the movement of particles different in size were considered.

Study on cyclic injection gas override in condensate gas reservoir

NASA Astrophysics Data System (ADS)

Sun, Yan; Zhu, Weiyao; Xia, Jing; Li, Baozhu

2018-02-01

Cyclic injection gas override in condensate gas reservoirs for the large density difference between injection gas and condensate gas has been studied, but no relevant mathematical models have been built. In this paper, a mathematical model of cyclic injection gas override in condensate gas reservoir is established, considering density difference between the injected gas and the remaining condensate gas in the formation. The vertical flow ratio and override degree are used to reflect the override law of injected dry gas. Combined with the actual data of Tarim gas condensate reservoir, the parameters of injected dry gas override are calculated and analysed. The results show that the radial pressure rises or falls rapidly and the pressure gradient varies greatly in the near wells. The radial pressure varies slowly and the pressure gradient changes little in the reservoir which is within a certain distance from the wells. In the near injection well, the injected dry gas mainly migrates along the radial direction, and the vertical migration is relatively not obvious. With the distance from the injection well, the vertical flow ratio and override degree of injected dry gas increases, and the vertical flow ratio reaches the maximum in the middle of the injection well and the production well.

Heat Transfer Enhancement During Water and Hydrocarbon Condensation on Lubricant Infused Surfaces.

PubMed

Preston, Daniel J; Lu, Zhengmao; Song, Youngsup; Zhao, Yajing; Wilke, Kyle L; Antao, Dion S; Louis, Marcel; Wang, Evelyn N

2018-01-11

Vapor condensation is routinely used as an effective means of transferring heat or separating fluids. Dropwise condensation, where discrete droplets form on the condenser surface, offers a potential improvement in heat transfer of up to an order of magnitude compared to filmwise condensation, where a liquid film covers the surface. Low surface tension fluid condensates such as hydrocarbons pose a unique challenge since typical hydrophobic condenser coatings used to promote dropwise condensation of water often do not repel fluids with lower surface tensions. Recent work has shown that lubricant infused surfaces (LIS) can promote droplet formation of hydrocarbons. In this work, we confirm the effectiveness of LIS in promoting dropwise condensation by providing experimental measurements of heat transfer performance during hydrocarbon condensation on a LIS, which enhances heat transfer by ≈450% compared to an uncoated surface. We also explored improvement through removal of noncondensable gases and highlighted a failure mechanism whereby shedding droplets depleted the lubricant over time. Enhanced condensation heat transfer for low surface tension fluids on LIS presents the opportunity for significant energy savings in natural gas processing as well as improvements in thermal management, heating and cooling, and power generation.

Equilibrium and Non-Equilibrium Condensation Phenomena in Tuneable 3D and 2D Bose Gases

DTIC Science & Technology

2016-04-01

condensed gas " which remains condensed above the expected critical temperature, and performed one of the first studies of the strongly-interacting "unitary...34 Bose gas . With the 2d harmonic trap we showed how the interaction-driven BKT phase is connected with purely statistical theory, and with the 3d...box trap we created the world’s first atomic BEC in a quasi-uniform potential. 15. SUBJECT TERMS EOARD, Bose gas , ultracold, condensation, equilibrium

Inspiratory Tube Condensation During High-Flow Nasal Cannula Therapy: A Bench Study.

PubMed

Chikata, Yusuke; Unai, Kazuaki; Izawa, Masayo; Okuda, Nao; Oto, Jun; Nishimura, Masaji

2016-03-01

High-flow nasal cannula (HFNC) therapy provides better humidification than conventional oxygen therapy. To allay loss of vapor as condensation, a servo-controlled heating wire is incorporated in the inspiratory tube, but condensation is not completely avoidable. We investigated factors that might affect condensation: thermal characteristics of the inspiratory tube, HFNC flow, and ambient temperature. We evaluated 2 types of HFNC tubes, SLH Flex 22-mm single tube and RT202. Both tubes were connected to a heated humidifier with water reservoir. HFNC flow was set at 20, 40, and 60 L/min, and FIO2 was set at 0.21. Air conditioning was used maintain ambient temperature at close to either 20 or 25°C. We weighed the tubes on a digital scale before (0 h) and at 3, 6, and 24 h after, turning on the heated humidifier, and calculated the amount of condensation by simple subtraction. The amount of distilled water used during 24 h was also recorded. At 25°C, there was little condensation, but at 20°C and HFNC flow of 20, 40, and 60 L/min for 24 h, the amount of condensation with the SLH was 50.2 ± 10.7, 44.3 ± 17.7, and 56.6 ± 13.9 mg, and the amount with the RT202 was 96.0 ± 35.1, 72.8 ± 8.2, and 64.9 ± 0.8 mg. When ambient temperature was set to 20°C, condensation with the RT202 was statistically significantly greater than with the SLH at all flow settings (P < .001). Ambient temperature statistically significantly influenced the amount of condensation in the tubes. Copyright © 2016 by Daedalus Enterprises.

SEPARATION OF VAPOR-PHASE ALCOHOL/WATER MIXTURES VIA FRACTIONAL CONDENSATION USING A PILOT-SCALE DEPHLEGMATOR: ENHANCEMENT OF THE PREVAPORATION PROCESS SEPARATION FACTOR

EPA Science Inventory

In prevaporation, a liquid mixture contacts a membrane surface that preferentially permeates one of the liquid components as a vapor. Our approach to improving pervaporation performance is to replace the one-stage condenser traditionally used to condense the permeate with a frac...

Electron scattering in large water clusters from photoelectron imaging with high harmonic radiation.

PubMed

Gartmann, Thomas E; Hartweg, Sebastian; Ban, Loren; Chasovskikh, Egor; Yoder, Bruce L; Signorell, Ruth

2018-06-06

Low-energy electron scattering in water clusters (H2O)n with average cluster sizes of n < 700 is investigated by angle-resolved photoelectron spectroscopy using high harmonic radiation at photon energies of 14.0, 20.3, and 26.5 eV for ionization from the three outermost valence orbitals. The measurements probe the evolution of the photoelectron anisotropy parameter β as a function of cluster size. A remarkably steep decrease of β with increasing cluster size is observed, which for the largest clusters reaches liquid bulk values. Detailed electron scattering calculations reveal that neither gas nor condensed phase scattering can explain the cluster data. Qualitative agreement between experiment and simulations is obtained with scattering calculations that treat cluster scattering as an intermediate case between gas and condensed phase scattering.

A new Schiff base compound N,N'-(2,2-dimetylpropane)-bis(dihydroxylacetophenone): synthesis, experimental and theoretical studies on its crystal structure, FTIR, UV-visible, 1H NMR and 13C NMR spectra.

PubMed

Saheb, Vahid; Sheikhshoaie, Iran

2011-10-15

The Schiff base compound, N,N'-(2,2-dimetylpropane)-bis(dihydroxylacetophenone) (NDHA) is synthesized through the condensation of 2-hydroxylacetophenone and 2,2-dimethyl 1,3-amino propane in methanol at ambient temperature. The yellow crystalline precipitate is used for X-ray single-crystal determination and measuring Fourier transform infrared (FTIR), UV-visible, (1)H NMR and (13)C NMR spectra. Electronic structure calculations at the B3LYP, PBEPBE and PW91PW91 levels of theory are performed to optimize the molecular geometry and to calculate the FTIR, (1)H NMR and (13)C NMR spectra of the compound. Time-dependent density functional theory (TDDFT) method is used to calculate the UV-visible spectrum of NDHA. Vibrational frequencies are determined experimentally and compared with those obtained theoretically. Vibrational assignments and analysis of the fundamental modes of the compound are also performed. All theoretical methods can well reproduce the structure of the compound. The (1)H NMR and (13)C NMR chemical shifts calculated by all DFT methods are consistent with the experimental data. However, the NMR shielding tensors computed at the B3LYP/6-31+G(d,p) level of theory are in better agreement with experimental (1)H NMR and (13)C NMR spectra. The electronic absorption spectrum calculated at the B3LYP/6-31+G(d,p) level by using TD-DFT method is in accordance with the observed UV-visible spectrum of NDHA. In addition, some quantum descriptors of the molecule are calculated and conformational analysis is performed and the results were compared with the crystallographic data. Copyright © 2011 Elsevier B.V. All rights reserved.

Design sensitivity analysis of boundary element substructures

NASA Technical Reports Server (NTRS)

Kane, James H.; Saigal, Sunil; Gallagher, Richard H.

1989-01-01

The ability to reduce or condense a three-dimensional model exactly, and then iterate on this reduced size model representing the parts of the design that are allowed to change in an optimization loop is discussed. The discussion presents the results obtained from an ongoing research effort to exploit the concept of substructuring within the structural shape optimization context using a Boundary Element Analysis (BEA) formulation. The first part contains a formulation for the exact condensation of portions of the overall boundary element model designated as substructures. The use of reduced boundary element models in shape optimization requires that structural sensitivity analysis can be performed. A reduced sensitivity analysis formulation is then presented that allows for the calculation of structural response sensitivities of both the substructured (reduced) and unsubstructured parts of the model. It is shown that this approach produces significant computational economy in the design sensitivity analysis and reanalysis process by facilitating the block triangular factorization and forward reduction and backward substitution of smaller matrices. The implementatior of this formulation is discussed and timings and accuracies of representative test cases presented.

Composite operator and condensate in the S U (N ) Yang-Mills theory with U (N -1 ) stability group

NASA Astrophysics Data System (ADS)

Warschinke, Matthias; Matsudo, Ryutaro; Nishino, Shogo; Shinohara, Toru; Kondo, Kei-Ichi

2018-02-01

Recently, some reformulations of the Yang-Mills theory inspired by the Cho-Faddeev-Niemi decomposition have been developed in order to understand confinement from the viewpoint of the dual superconductivity. In this paper we focus on the reformulated S U (N ) Yang-Mills theory in the minimal option with U (N -1 ) stability group. Despite existing numerical simulations on the lattice we perform the perturbative analysis to one-loop level as a first step towards the nonperturbative analytical treatment. First, we give the Feynman rules and calculate all renormalization factors to obtain the standard renormalization group functions to one-loop level in light of the renormalizability of this theory. Then we introduce a mixed gluon-ghost composite operator of mass dimension 2 and show the Bechi-Rouet-Stora-Tyutin invariance and the multiplicative renormalizability. Armed with these results, we argue the existence of the mixed gluon-ghost condensate by means of the so-called local composite operator formalism, which leads to various interesting implications for confinement as shown in preceding works.

TEMperature Pressure ESTimation of a homogeneous boiling fuel-steel mixture in an LMFBR core. [TEMPEST code

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

Pyun, J.J.; Majumdar, D.

The paper describes TEMPEST, a simple computer program for the temperature and pressure estimation of a boiling fuel-steel pool in an LMFBR core. The time scale of interest of this program is large, of the order of ten seconds. Further, the vigorous boiling in the pool will generate a large contact, and hence a large heat transfer between fuel and steel. The pool is assumed to be a uniform mixture of fuel and steel, and consequently vapor production is also assumed to be uniform throughout the pool. The pool is allowed to expand in volume if there is steel meltingmore » at the walls. In this program, the total mass of liquid and vapor fuel is always kept constant, but the total steel mass in the pool may change by steel wall melting. Because of a lack of clear understanding of the physical phenomena associated with the progression of a fuel-steel mixture at high temperature, various input options have been built-in to enable one to perform parametric studies. For example, the heat transfer from the pool to the surrounding steel structure may be controlled by input values for the heat transfer coefficients, or, the heat transfer may be calculated by a correlation obtained from the literature. Similarly, condensation of vapor on the top wall can be specified by input values of the condensation coefficient; the program can otherwise calculate condensation according to the non-equilibrium model predictions. Meltthrough rates of the surrounding steel walls can be specified by a fixed melt-rate or can be determined by a fraction of the heat loss that goes to steel-melting. The melted steel is raised to the pool temperature before it is joined with the pool material. Several applications of this program to various fuel-steel pools in the FFTF and the CRBR cores are discussed.« less

Catalytic performance of Metal-Organic-Frameworks vs. extra-large pore zeolite UTL in condensation reactions

PubMed Central

Shamzhy, Mariya; Opanasenko, Maksym; Shvets, Oleksiy; Čejka, Jiří

2013-01-01

Catalytic behavior of isomorphously substituted B-, Al-, Ga-, and Fe-containing extra-large pore UTL zeolites was investigated in Knoevenagel condensation involving aldehydes, Pechmann condensation of 1-naphthol with ethylacetoacetate, and Prins reaction of β-pinene with formaldehyde and compared with large-pore aluminosilicate zeolite beta and representative Metal-Organic-Frameworks Cu3(BTC)2 and Fe(BTC). The yield of the target product over the investigated catalysts in Knoevenagel condensation increases in the following sequence: (Al)beta < (Al)UTL < (Ga)UTL < (Fe)UTL < Fe(BTC) < (B)UTL < Cu3(BTC)2 being mainly related to the improving selectivity with decreasing strength of active sites of the individual catalysts. The catalytic performance of Fe(BTC), containing the highest concentration of Lewis acid sites of the appropriate strength is superior over large-pore zeolite (Al)beta and B-, Al-, Ga-, Fe-substituted extra-large pore zeolites UTL in Prins reaction of β-pinene with formaldehyde and Pechmann condensation of 1-naphthol with ethylacetoacetate. PMID:24790940

Kaon condensation in dense matter

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

Carlson, J.; Heiselberg, H.; Pandharipande, V. R.

The kaon energy in neutron matter is calculated analytically with the Klein-Gordon equation, by making a Wigner-Seitz cell approximation and employing a K{sup -}N square well potential. The transition from the low density Lenz potential, proportional to scattering length, to the high density Hartree potential is found to begin at fairly low densities. Exact nonrelativistic calculations of the kaon energy in a simple cubic crystal of neutrons are used to test the Wigner-Seitz and the Ericson-Ericson approximation methods. In this case the frequently used Erickson-Erickson approximation is found to be fairly accurate up to twice nuclear matter density. All themore » calculations indicate that by {approx}4 times nuclear matter density the Hartree limit is reached. We also show that in the Hartree limit the energy of zero momentum kaons does not have relativistic energy dependent factors present in the low density expansions. The results indicate that the density for kaon condensation is higher than previously estimated.« less

In-medium properties of pseudoscalar D_s and B_s mesons

NASA Astrophysics Data System (ADS)

Chhabra, Rahul; Kumar, Arvind

2017-11-01

We calculate the shift in the masses and decay constants of D_s(1968) and B_s(5370) mesons in hot and dense asymmetric strange hadronic matter using QCD sum rules and chiral SU(3) model. In-medium strange quark condensates < \\bar{s}s> _{ρ _B}, and gluon condensates < α s/π {G^a}_{μ ν } {G^a}^{μ ν } > _{ρ _B}, to be used in the QCD sum rules for pseudoscalar D_s and B_s mesons, are calculated using a chiral SU(3) model. As an application of our present work, we calculate the in-medium decay widths of the excited (c\\bar{s}) states D_s^*(2715) and D_s^*(2860) decaying to (D_s(1968),η ) mesons. The medium effects in their decay widths are incorporated through the mass modification of the D_s(1968) and η mesons. The results of the present investigation may be helpful in understanding the possible outcomes of the future experiments like CBM and PANDA under the FAIR facility.

DESIGN AND PERFORMANCE CHARACTERISTICS OF A TURBULENT MIXING CONDENSATION NUCLEI COUNTER. (R826654)

EPA Science Inventory

The design and optimization of operation parameters of a Turbulent Mixing Condensation Nuclei Counter (TMCNC) are discussed as well as its performance using dibutylphthalate (DBP) as the working fluid. A detection limit of 3 nm has been achieved at a flow rate of 2.8 lmin^-1<...

Pseudopotential for ab initio calculations of uranium compounds

NASA Astrophysics Data System (ADS)

Smirnov, G. S.; Pisarev, V. V.; Stegailov, V. V.

2018-01-01

The density functional theory (DFT) is a research tool of the highest importance for electronic structure calculations. It is often the only affordable method for ab initio calculations of complex materials. The pseudopotential approach allows reducing the total number of electrons in the model that speeds up calculations. However, there is a lack of pseudopotentials for heavy elements suitable for condensed matter DFT models. In this work, we present a pseudopotential for uranium developed in the Goedecker-Teter-Hutter form. Its accuracy is illustrated using several molecular and solid-state calculations.

Condensation heat transfer and flow friction in silicon microchannels

NASA Astrophysics Data System (ADS)

Wu, Huiying; Wu, Xinyu; Qu, Jian; Yu, Mengmeng

2008-11-01

An experimental investigation was performed on heat transfer and flow friction characteristics during steam condensation flow in silicon microchannels. Three sets of trapezoidal silicon microchannels, with hydraulic diameters of 77.5 µm, 93.0 µm and 128.5 µm respectively, were tested under different flow and cooling conditions. It was found that both the condensation heat transfer Nusselt number (Nu) and the condensation two-phase frictional multiplier (phi2Lo) were dependent on the steam Reynolds number (Rev), condensation number (Co) and dimensionless hydraulic diameter (Dh/L). With the increase in the steam Reynolds number, condensation number and dimensionless hydraulic diameter, the condensation Nusselt number increased. However, different variations were observed for the condensation two-phase frictional multiplier. With the increase in the steam Reynolds number and dimensionless hydraulic diameter, the condensation two-phase frictional multiplier decreased, while with the increase in the condensation number, the condensation two-phase frictional multiplier increased. Based on the experimental results, dimensionless correlations for condensation heat transfer and flow friction in silicon microchannels were proposed for the first time. These correlations can be used to determine the condensation heat transfer coefficient and pressure drop in silicon microchannels if the steam mass flow rate, cooling rate and geometric parameters are fixed. It was also found that the condensation heat transfer and flow friction have relations to the injection flow (a transition flow pattern from the annular flow to the slug/bubbly flow), and with injection flow moving toward the outlet, both the condensation heat transfer coefficient and the condensation two-phase frictional multiplier increased.

Modeling the Performance of Water-Zeolite 13X Adsorption Heat Pump

NASA Astrophysics Data System (ADS)

Kowalska, Kinga; Ambrożek, Bogdan

2017-12-01

The dynamic performance of cylindrical double-tube adsorption heat pump is numerically analysed using a non-equilibrium model, which takes into account both heat and mass transfer processes. The model includes conservation equations for: heat transfer in heating/cooling fluids, heat transfer in the metal tube, and heat and mass transfer in the adsorbent. The mathematical model is numerically solved using the method of lines. Numerical simulations are performed for the system water-zeolite 13X, chosen as the working pair. The effect of the evaporator and condenser temperatures on the adsorption and desorption kinetics is examined. The results of the numerical investigation show that both of these parameters have a significant effect on the adsorption heat pump performance. Based on computer simulation results, the values of the coefficients of performance for heating and cooling are calculated. The results show that adsorption heat pumps have relatively low efficiency compared to other heat pumps. The value of the coefficient of performance for heating is higher than for cooling

Condensation in Nanoporous Packed Beds.

PubMed

Ally, Javed; Molla, Shahnawaz; Mostowfi, Farshid

2016-05-10

In materials with tiny, nanometer-scale pores, liquid condensation is shifted from the bulk saturation pressure observed at larger scales. This effect is called capillary condensation and can block pores, which has major consequences in hydrocarbon production, as well as in fuel cells, catalysis, and powder adhesion. In this study, high pressure nanofluidic condensation studies are performed using propane and carbon dioxide in a colloidal crystal packed bed. Direct visualization allows the extent of condensation to be observed, as well as inference of the pore geometry from Bragg diffraction. We show experimentally that capillary condensation depends on pore geometry and wettability because these factors determine the shape of the menisci that coalesce when pore filling occurs, contrary to the typical assumption that all pore structures can be modeled as cylindrical and perfectly wetting. We also observe capillary condensation at higher pressures than has been done previously, which is important because many applications involving this phenomenon occur well above atmospheric pressure, and there is little, if any, experimental validation of capillary condensation at such pressures, particularly with direct visualization.

Immersion Condensation on Oil-Infused Heterogeneous Surfaces for Enhanced Heat Transfer

PubMed Central

Xiao, Rong; Miljkovic, Nenad; Enright, Ryan; Wang, Evelyn N.

2013-01-01

Enhancing condensation heat transfer is important for broad applications from power generation to water harvesting systems. Significant efforts have focused on easy removal of the condensate, yet the other desired properties of low contact angles and high nucleation densities for high heat transfer performance have been typically neglected. In this work, we demonstrate immersion condensation on oil-infused micro and nanostructured surfaces with heterogeneous coatings, where water droplets nucleate immersed within the oil. The combination of surface energy heterogeneity, reduced oil-water interfacial energy, and surface structuring enabled drastically increased nucleation densities while maintaining easy condensate removal and low contact angles. Accordingly, on oil-infused heterogeneous nanostructured copper oxide surfaces, we demonstrated approximately 100% increase in heat transfer coefficient compared to state-of-the-art dropwise condensation surfaces in the presence of non-condensable gases. This work offers a distinct approach utilizing surface chemistry and structuring together with liquid-infusion for enhanced condensation heat transfer. PMID:23759735

High sensitivity capacitive MEMS microphone with spring supported diaphragm

NASA Astrophysics Data System (ADS)

Mohamad, Norizan; Iovenitti, Pio; Vinay, Thurai

2007-12-01

Capacitive microphones (condenser microphones) work on a principle of variable capacitance and voltage by the movement of its electrically charged diaphragm and back plate in response to sound pressure. There has been considerable research carried out to increase the sensing performance of microphones while reducing their size to cater for various modern applications such as mobile communication and hearing aid devices. This paper reviews the development and current performance of several condenser MEMS microphone designs, and introduces a microphone with spring supported diaphragm to further improve condenser microphone performance. The numerical analysis using Coventor FEM software shows that this new microphone design has a higher mechanical sensitivity compared to the existing edge clamped flat diaphragm condenser MEMS microphone. The spring supported diaphragm is shown to have a flat frequency response up to 7 kHz and more stable under the variations of the diaphragm residual stress. The microphone is designed to be easily fabricated using the existing silicon fabrication technology and the stability against the residual stress increases its reproducibility.

The aggregation of the merocyanine dyes, depending of the type of the counterions.

PubMed

Kolev, Tsonko; Koleva, Bojidarka B; Stoyanov, Stanimir; Spiteller, Michael; Petkov, Ivan

2008-10-01

Counterions affect on the substructures formation in the case of the merocyanine dye, 1-methyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium] hydrogensquarate both in gas and condense phase. Spectroscopically and structural elucidation of these aggregates have been performed, using solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids as a nematic liquid crystal suspension, UV-vis spectroscopy, HPLC tandem ESI mass spectrometry, 1H and 13C NMR, TGV and DSC. Quantum chemical DFT calculations have been carried out as well. Experimental and theoretical data are compared with analogous ones of corresponding iodide salt of dye studied.

Production and condensation of organic gases in the atmosphere of Titan

NASA Technical Reports Server (NTRS)

Sagan, C.; Thompson, W. R.

1982-01-01

The rates and altitudes for the dissociation of atmospheric constituents on Titan are calculated for solar ultraviolet radiation, the solar wind, Saturn magnetospheric particles, the Saturn co-rotating plasma, and cosmic rays. Laboratory experiments show that a variety of simple gas phase organic molecules and more complex organic solids called tholins are produced by such irradiations of simulated Titanian atmospheres. Except for ultraviolet wavelengths longward of the methane photodissociation continuum, most dissociation events occur between about 3100 and 3600 km altitude, corresponding well to the region of EUV opacity detected by Voyager. For a wide variety of simple to moderately complex organic gases in the Titanian atmosphere, condensation occurs below the top of the main cloud deck at about 2825 km. It is proposed that such condensates, beginning with CH4 at about 2615 km, comprise the principal mass of the Titan clouds. There is a distinct tendency for the atmosphere of Titan to act as a fractional distillation device, molecules of greater complexity condensing out at higher altitudes.

Hydrolysis condensation reactions of titanium alkoxides in thin films: A study of the steric hindrance effect by X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Barlier, Vincent; Bounor-Legaré, Véronique; Boiteux, Gisèle; Davenas, Joël; Léonard, Didier

2008-06-01

An original approach based on X-ray photoelectron spectroscopy (XPS) is proposed to study the influence of the surrounding humidity on the hydrolysis-condensation reactions of five titanium alkoxides in thin films. More precisely, the influence of the nature of the ligands (propoxide, butoxide, isopropoxide, phenoxide, and 9H-carbazole-9-yl-ethyl-oxy) on the reaction rate was evidenced. The reaction advancement was evaluated by comparing XPS chemical compositions to theoretical compositions calculated for all the possible rates. XPS chemical environment information allowed validating the reliability of this approach through the evaluation of the condensation state. In both approaches, the influence of the steric hindrance on the reactivity of titanium alkoxides was highlighted to be similar to what has been previously observed in solution. Theses results corroborate the validity of our XPS approach to determine titanium alkoxide hydrolysis-condensation reactions in the specific application of thin films.

Calcium-aluminum-rich inclusions in the Allende meteorite - Evidence for a liquid origin

NASA Technical Reports Server (NTRS)

Blander, M.; Fuchs, L. H.

1975-01-01

We have made a detailed examination of the mineralogy, textures, and assemblages of six calcium-aluminum-rich inclusions (CAI) in the Allende meteorite. They can be classified into four types - hibonite-bearing, fassaite- and olivine-bearing, feldspathoid-bearing and fassaite-bearing CAI that are hibonite and olivine free. Examples of each type appear to have crystallized from a liquid rather than by agglomeration of solid nebular condensates. Some lines of evidence for a liquid origin are the presence of spherical and ovoid shapes and rims containing minerals that are more refractory than minerals inside the inclusion. Thermodynamic calculations and comparisons with liquidus phase diagrams indicate that the CAI could have been produced by direct condensation to metastable subcooled liquids that subsequently crystallized or by remelting of an equilibrium high-temperature condensate by impact. The diopside rims in some hibonite-bearing CAI and the paucity of metal in fassaite-olivine-bearing CAI are more consistent with direct condensation of a liquid.

Can hexazine (N6) be stable?

NASA Astrophysics Data System (ADS)

Ha, Tae-Kyu; Cimiraglia, R.; Nguyen, Minh Tho

1981-10-01

Ab initio SCF and CI calculations are reported for n6 in D6h symmetry. The result confirms previous calculations that free N6 is not stable. The calculated (n → π*)1 transition energy at 391 nm is in agreement with λmax = 380 nm observed in absorption in the condensed phase. It is conjectured that N6 may be formed as a short-lived species in a matrix at low temperatures during photochemical reaction.

The application of condensate water as an additional cooling media intermittently in condenser of a split air conditioning

NASA Astrophysics Data System (ADS)

Ardita, I. N.; Subagia, I. W. A.

2018-01-01

The condensate water produced by indoor a split air conditioning is usually not utilized and thrown away into the environment. The result of measurement shows that the temperature of condensate water produced by split air conditioning is quite low, that is 19-22 °C at the rate of 16-20 mL / min and it has PH balance. Under such conditions, Air Condensate produced by split air conditioning should still be recovered as an additional cooling medium on the condenser. This research will re-investigate the use of condensate water as an intermittent additional cooling of the condenser to increase the cooling capacity and performance of the air conditioning system. This research is done by experimental method whose implementation includes; designing and manufacturing of experimental equipment, mounting measuring tools, experimental data retrieval, data processing and yield analysis. The experimental results show that the use of condensate water as an intermittent additional cooling medium on split air conditioning condenser can increase the refrigeration effect about 2%, cooling capacity about 4% and 7% of COP system. Experimental results also show a decrease in power consumption in the system compressor about 3%

Design analysis of a Helium re-condenser

NASA Astrophysics Data System (ADS)

Muley, P. K.; Bapat, S. L.; Atrey, M. D.

2017-02-01

Modern helium cryostats deploy a cryocooler with a re-condenser at its II stage for in-situ re-condensation of boil-off vapor. The present work is a vital step in the ongoing research work of design of cryocooler based 100 litre helium cryostat with in-situ re-condensation. The cryostat incorporates a two stage Gifford McMahon cryocooler having specified refrigerating capacity of 40 W at 43 K for I stage and 1 W at 4.2 K for II stage. Although design of cryostat ensures thermal load for cryocooler below its specified refrigerating capacity at the second stage, successful in-situ re-condensation depends on proper design of re-condenser which forms the objective of this work. The present work proposes design of helium re-condenser with straight rectangular fins. Fins are analyzed for optimization of thermal performance parameters such as condensation heat transfer coefficient, surface area for heat transfer, re-condensing capacity, efficiency and effectiveness. The present work provides design of re-condenser with 19 integral fins each of 10 mm height and 1.5 mm thickness with a gap of 1.5 mm between two fins, keeping in mind the manufacturing feasibility, having efficiency of 80.96 % and effectiveness of 10.34.

Canonical coordinates and meson spectra for scalar deformed Script N = 4 SYM from the AdS/CFT correspondence

NASA Astrophysics Data System (ADS)

Shock, Jonathan P.

2006-10-01

Two points on the Coulomb branch of Script N = 4 super Yang Mills are investigated using their supergravity duals. By switching on condensates for the scalars in the Script N = 4 multiplet with a form which preserves a subgroup of the original R-symmetry, disk and sphere configurations of D3-branes are formed in the dual supergravity background. The analytic, canonical metric for these geometries is formulated and the singularity structure is studied. Quarks are introduced into the corresponding field theories using D7-brane probes and the meson spectrum is calculated. For one of the condensate configurations, a mass gap is found and shown analytically to be present in the massless limit. It is also found that there is a stepped spectrum with eigenstate degeneracy in the limit of small quark masses and this result is shown analytically. In the second, similar deformation it is necessary to understand the full D3-D7 brane interaction to study the limit of small quark masses. For quark masses larger than the condensate scale the spectrum is calculated and shown to be discrete as expected.

Optimum design point for a closed-cycle OTEC system

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

Ikegami, Yasuyuki; Uehara, Haruo

1994-12-31

Performance analysis is performed for optimum design point of a closed-cycle Ocean Thermal Energy Conversion (OTEC) system. Calculations are made for an OTEC model plant with a gross power of 100 MW, which was designed by the optimization method proposed by Uehara and Ikegami for the design conditions of 21 C--29 C warm sea water temperature and 4 C cold sea water temperature. Ammonia is used as working fluid. Plate type evaporator and condenser are used as heat exchangers. The length of the cold sea water pipe is 1,000 m. This model plant is a floating-type OTEC plant. The objectivemore » function of optimum design point is defined as the total heat transfer area of heat exchangers per the annual net power.« less

When the Desert Beetle Met the Carnivorous Plant: A Perfect Match for Droplet Growth and Shedding

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

Aizenberg, Joanna; Park, Kyoo Chul; Kim, Philseok

2015-01-14

Phase change of vapor followed by coalescence and transport on ubiquitous bumped or curved surfaces is of fundamental importance for a wide range of phenomena and applications from water condensation on cold beverage bottles, to fogging on glasses and windshields, self-cleaning by jumping droplets, weathering, self-assembly, desalination, latent heat transfer, etc. Over the past decades, many attempts to understand and control the droplet growth dynamics and shedding of condensates on textured surfaces have focused on finding the role of micro/nanotexture combined with wettability. In particular, inspired by the Namib desert beetle bump structure, studies tested the effect of topography onmore » the preferential condensation. However, like the preferential condensation observed on flat surfaces, hybrid wettability rather than texture plays a major role; the role of bump topography on local preferential condensation has been unexplored and still not clearly understood. In addition, given that not only facilitating the droplet growth but also transporting the condensed droplets toward the desired reservoir is essential to make fresh sites for renucleation and regrowth of the droplets for enhancing condensation efficiency, the current hybrid-wettability- based design is not efficient to transport the condensates due to the high contact angle hysteresis created by highly wettable pinning points. Here we show that beetle-inspired bump topography leads faster localized condensation and transport of water. Employing simple analytic and more complicated numerical calculations, we reveal the detailed role of topography and predict the focused diffusion flux based on the distortion of concentration gradient around convex surface topography. We experimentally demonstrate the systematic understanding on the unseen effect of topographical parameters on faster droplet growth dynamics on various bump geometries. Further rational design of asymmetric topography and synergetic combination with slippery coating simultaneously enable both faster droplet growth and transport for applications including efficient water condensation.« less

Kinetic theory of dark solitons with tunable friction.

PubMed

Hurst, Hilary M; Efimkin, Dmitry K; Spielman, I B; Galitski, Victor

2017-05-01

We study controllable friction in a system consisting of a dark soliton in a one-dimensional Bose-Einstein condensate coupled to a noninteracting Fermi gas. The fermions act as impurity atoms, not part of the original condensate, that scatter off of the soliton. We study semiclassical dynamics of the dark soliton, a particlelike object with negative mass, and calculate its friction coefficient. Surprisingly, it depends periodically on the ratio of interspecies (impurity-condensate) to intraspecies (condensate-condensate) interaction strengths. By tuning this ratio, one can access a regime where the friction coefficient vanishes. We develop a general theory of stochastic dynamics for negative-mass objects and find that their dynamics are drastically different from their positive-mass counterparts: they do not undergo Brownian motion. From the exact phase-space probability distribution function (i.e., in position and velocity), we find that both the trajectory and lifetime of the soliton are altered by friction, and the soliton can undergo Brownian motion only in the presence of friction and a confining potential. These results agree qualitatively with experimental observations by Aycock et al. [Proc. Natl. Acad. Sci. USA 114 , 2503 (2017)] in a similar system with bosonic impurity scatterers.

Volatile element chemistry in the solar nebula - Na, K, F, Cl, Br, and P

NASA Technical Reports Server (NTRS)

Fegley, B., Jr.; Lewis, J. S.

1980-01-01

The results of the most extensive set to date of thermodynamic calculations on the equilibrium chemistry of several hundred compounds of the elements Na, K, F, Cl, Br, and P in a solar composition system are reported. Two extreme models of accretion are investigated. In one extreme complete chemical equilibrium between condensates and gases is maintained because the time scale for accretion is long compared to the time scale for cooling or dissipation of the nebula. Condensates formed in this homogeneous accretion model include several phases such as whitlockite, alkali feldspars, and apatite minerals which are found in chondrites. In the other extreme complete isolation of newly formed condensates from prior condensates and gases occurs due to a time scale for accretion that is short relative to the time required for nebular cooling or dissipation. The condensates produced in this heterogeneous accretion model include alkali sulfides, ammonium halides, and ammonium phosphates. None of these phases are found in chondrites. Available observations of the Na, K, F, Cl, Br, and P elemental abundances in the terrestrial planets are found to be compatible with the predictions of the homogeneous accretion model.

Kinetic theory of dark solitons with tunable friction

PubMed Central

Hurst, Hilary M.; Efimkin, Dmitry K.; Spielman, I. B.; Galitski, Victor

2018-01-01

We study controllable friction in a system consisting of a dark soliton in a one-dimensional Bose-Einstein condensate coupled to a noninteracting Fermi gas. The fermions act as impurity atoms, not part of the original condensate, that scatter off of the soliton. We study semiclassical dynamics of the dark soliton, a particlelike object with negative mass, and calculate its friction coefficient. Surprisingly, it depends periodically on the ratio of interspecies (impurity-condensate) to intraspecies (condensate-condensate) interaction strengths. By tuning this ratio, one can access a regime where the friction coefficient vanishes. We develop a general theory of stochastic dynamics for negative-mass objects and find that their dynamics are drastically different from their positive-mass counterparts: they do not undergo Brownian motion. From the exact phase-space probability distribution function (i.e., in position and velocity), we find that both the trajectory and lifetime of the soliton are altered by friction, and the soliton can undergo Brownian motion only in the presence of friction and a confining potential. These results agree qualitatively with experimental observations by Aycock et al. [Proc. Natl. Acad. Sci. USA 114, 2503 (2017)] in a similar system with bosonic impurity scatterers. PMID:29744482

Jamming and condensation in one-dimensional driven flow

NASA Astrophysics Data System (ADS)

Soh, Hyungjoon; Ha, Meesoon; Jeong, Hawoong

2018-03-01

We revisit the slow-bond (SB) problem of the one-dimensional (1D) totally asymmetric simple exclusion process (TASEP) with modified hopping rates. In the original SB problem, it turns out that a local defect is always relevant to the system as jamming, so that phase separation occurs in the 1D TASEP. However, crossover scaling behaviors are also observed as finite-size effects. In order to check if the SB can be irrelevant to the system with particle interaction, we employ the condensation concept in the zero-range process. The hopping rate in the modified TASEP depends on the interaction parameter and the distance up to the nearest particle in the moving direction, besides the SB factor. In particular, we focus on the interplay of jamming and condensation in the current-density relation of 1D driven flow. Based on mean-field calculations, we present the fundamental diagram and the phase diagram of the modified SB problem, which are numerically checked. Finally, we discuss how the condensation of holes suppresses the jamming of particles and vice versa, where the partially condensed phase is the most interesting, compared to that in the original SB problem.

Jamming and condensation in one-dimensional driven flow.

PubMed

Soh, Hyungjoon; Ha, Meesoon; Jeong, Hawoong

2018-03-01

We revisit the slow-bond (SB) problem of the one-dimensional (1D) totally asymmetric simple exclusion process (TASEP) with modified hopping rates. In the original SB problem, it turns out that a local defect is always relevant to the system as jamming, so that phase separation occurs in the 1D TASEP. However, crossover scaling behaviors are also observed as finite-size effects. In order to check if the SB can be irrelevant to the system with particle interaction, we employ the condensation concept in the zero-range process. The hopping rate in the modified TASEP depends on the interaction parameter and the distance up to the nearest particle in the moving direction, besides the SB factor. In particular, we focus on the interplay of jamming and condensation in the current-density relation of 1D driven flow. Based on mean-field calculations, we present the fundamental diagram and the phase diagram of the modified SB problem, which are numerically checked. Finally, we discuss how the condensation of holes suppresses the jamming of particles and vice versa, where the partially condensed phase is the most interesting, compared to that in the original SB problem.

Sensitivity analysis and economic optimization studies of inverted five-spot gas cycling in gas condensate reservoir

NASA Astrophysics Data System (ADS)

Shams, Bilal; Yao, Jun; Zhang, Kai; Zhang, Lei

2017-08-01

Gas condensate reservoirs usually exhibit complex flow behaviors because of propagation response of pressure drop from the wellbore into the reservoir. When reservoir pressure drops below the dew point in two phase flow of gas and condensate, the accumulation of large condensate amount occurs in the gas condensate reservoirs. Usually, the saturation of condensate accumulation in volumetric gas condensate reservoirs is lower than the critical condensate saturation that causes trapping of large amount of condensate in reservoir pores. Trapped condensate often is lost due to condensate accumulation-condensate blockage courtesy of high molecular weight, heavy condensate residue. Recovering lost condensate most economically and optimally has always been a challenging goal. Thus, gas cycling is applied to alleviate such a drastic loss in resources. In gas injection, the flooding pattern, injection timing and injection duration are key parameters to study an efficient EOR scenario in order to recover lost condensate. This work contains sensitivity analysis on different parameters to generate an accurate investigation about the effects on performance of different injection scenarios in homogeneous gas condensate system. In this paper, starting time of gas cycling and injection period are the parameters used to influence condensate recovery of a five-spot well pattern which has an injection pressure constraint of 3000 psi and production wells are constraint at 500 psi min. BHP. Starting injection times of 1 month, 4 months and 9 months after natural depletion areapplied in the first study. The second study is conducted by varying injection duration. Three durations are selected: 100 days, 400 days and 900 days. In miscible gas injection, miscibility and vaporization of condensate by injected gas is more efficient mechanism for condensate recovery. From this study, it is proven that the application of gas cycling on five-spot well pattern greatly enhances condensate recovery preventing financial, economic and resource loss that previously occurred.

Gravitationally Driven Wicking for Enhanced Condensation Heat Transfer.

PubMed

Preston, Daniel J; Wilke, Kyle L; Lu, Zhengmao; Cruz, Samuel S; Zhao, Yajing; Becerra, Laura L; Wang, Evelyn N

2018-04-17

Vapor condensation is routinely used as an effective means of transferring heat or separating fluids. Filmwise condensation is prevalent in typical industrial-scale systems, where the condensed fluid forms a thin liquid film due to the high surface energy associated with many industrial materials. Conversely, dropwise condensation, where the condensate forms discrete liquid droplets which grow, coalesce, and shed, results in an improvement in heat transfer performance of an order of magnitude compared to filmwise condensation. However, current state-of-the-art dropwise technology relies on functional hydrophobic coatings, for example, long chain fatty acids or polymers, which are often not robust and therefore undesirable in industrial conditions. In addition, low surface tension fluid condensates, such as hydrocarbons, pose a unique challenge because common hydrophobic condenser coatings used to shed water (with a surface tension of 73 mN/m) often do not repel fluids with lower surface tensions (<25 mN/m). We demonstrate a method to enhance condensation heat transfer using gravitationally driven flow through a porous metal wick, which takes advantage of the condensate's affinity to wet the surface and also eliminates the need for condensate-phobic coatings. The condensate-filled wick has a lower thermal resistance than the fluid film observed during filmwise condensation, resulting in an improved heat transfer coefficient of up to an order of magnitude and comparable to that observed during dropwise condensation. The improved heat transfer realized by this design presents the opportunity for significant energy savings in natural gas processing, thermal management, heating and cooling, and power generation.

Breath Figures under Electrowetting: Electrically Controlled Evolution of Drop Condensation Patterns

NASA Astrophysics Data System (ADS)

Baratian, Davood; Dey, Ranabir; Hoek, Harmen; van den Ende, Dirk; Mugele, Frieder

2018-05-01

We show that electrowetting (EW) with structured electrodes significantly modifies the distribution of drops condensing onto flat hydrophobic surfaces by aligning the drops and by enhancing coalescence. Numerical calculations demonstrate that drop alignment and coalescence are governed by the drop-size-dependent electrostatic energy landscape that is imposed by the electrode pattern and the applied voltage. Such EW-controlled migration and coalescence of condensate drops significantly alter the statistical characteristics of the ensemble of droplets. The evolution of the drop size distribution displays self-similar characteristics that significantly deviate from classical breath figures on homogeneous surfaces once the electrically induced coalescence cascades set in beyond a certain critical drop size. The resulting reduced surface coverage, coupled with earlier drop shedding under EW, enhances the net heat transfer.

New constraints for low-momentum electronic excitations in condensed matter: fundamental consequences from classical and quantum dielectric theory.

PubMed

Chantler, C T; Bourke, J D

2015-11-18

We present new constraints for the transportation behaviour of low-momentum electronic excitations in condensed matter systems, and demonstrate that these have both a fundamental physical interpretation and a significant impact on the description of low-energy inelastic electron scattering. The dispersion behaviour and characteristic lifetime properties of plasmon and single-electron excitations are investigated using popular classical, semi-classical and quantum dielectric models. We find that, irrespective of constrained agreement to the well known high-momentum and high-energy Bethe ridge limit, standard descriptions of low-momentum electron excitations are inconsistent and unphysical. These observations have direct impact on calculations of transport properties such as inelastic mean free paths, stopping powers and escape depths of charged particles in condensed matter systems.

Accurate condensed history Monte Carlo simulation of electron transport. II. Application to ion chamber response simulations.

PubMed

Kawrakow, I

2000-03-01

In this report the condensed history Monte Carlo simulation of electron transport and its application to the calculation of ion chamber response is discussed. It is shown that the strong step-size dependencies and lack of convergence to the correct answer previously observed are the combined effect of the following artifacts caused by the EGS4/PRESTA implementation of the condensed history technique: dose underprediction due to PRESTA'S pathlength correction and lateral correlation algorithm; dose overprediction due to the boundary crossing algorithm; dose overprediction due to the breakdown of the fictitious cross section method for sampling distances between discrete interaction and the inaccurate evaluation of energy-dependent quantities. These artifacts are now understood quantitatively and analytical expressions for their effect are given.

An HPLC-DAD and LC-MS study of condensation oscillations with S(+)-ketoprofen dissolved in acetonitrile.

PubMed

Sajewicz, Mieczysław; Gontarska, Monika; Kronenbach, Dorota; Berry, Etienne; Kowalska, Teresa

2012-03-01

In our earlier studies, a spontaneous chiral conversion of the selected low-molecular-weight carboxylic acids (i.e., amino acids, hydroxy acids, and profen drugs) dissolved in aqueous ethanol medium, running in vitro was described. Then it became clear that this spontaneous chiral conversion is accompanied by the spontaneous condensation of the discussed compounds. With several acids, it was established that this condensation is also oscillatory in nature. The theoretical models were developed aiming to give a rough explanation of the observed non-linear processes. In this paper, the results of these studies on the dynamics of condensation with S(+)-ketoprofen, a very popular profen drug, when stored for certain amount of time dissolved in a non-aqueous medium (i.e., acetonitrile) is presented. These investigations were carried out with the aid of two independent high-performance liquid chromatographic systems with the diode array detection and of a third high-performance liquid chromatographic system equipped with mass spectrometric detection. In one cycle of chromatographic measurements, it was possible to monitor condensation of S(+)-ketoprofen in 25-min intervals for 30 h, thus obtaining kinetic information on the progress of this process. Mass spectrometric detection confirmed the presence of new species in the stored solution with molecular weights much higher than that of S(+)-ketoprofen, which can be attributed to the condensation products. The obtained data show that condensation of S(+)-ketoprofen dissolved in acetonitrile progresses in a rapid manner, and that the observed oscillatory concentration changes with S(+)-ketoprofen and with the main condensation product characterize with an irregularity and shallow amplitudes. A theoretical model was referenced that jointly describes the oscillatory chiral conversion and the oscillatory condensation with the low-molecular-weight chiral carboxylic acids.

Spectral functions with the density matrix renormalization group: Krylov-space approach for correction vectors

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

None, None

Frequency-dependent correlations, such as the spectral function and the dynamical structure factor, help illustrate condensed matter experiments. Within the density matrix renormalization group (DMRG) framework, an accurate method for calculating spectral functions directly in frequency is the correction-vector method. The correction vector can be computed by solving a linear equation or by minimizing a functional. Our paper proposes an alternative to calculate the correction vector: to use the Krylov-space approach. This paper also studies the accuracy and performance of the Krylov-space approach, when applied to the Heisenberg, the t-J, and the Hubbard models. The cases we studied indicate that themore » Krylov-space approach can be more accurate and efficient than the conjugate gradient, and that the error of the former integrates best when a Krylov-space decomposition is also used for ground state DMRG.« less

Applying the relaxation model of interfacial heat transfer to calculate the liquid outflow with supercritical initial parameters

NASA Astrophysics Data System (ADS)

Alekseev, M. V.; Vozhakov, I. S.; Lezhnin, S. I.; Pribaturin, N. A.

2017-09-01

A comparative numerical simulation of the supercritical fluid outflow on the thermodynamic equilibrium and non-equilibrium relaxation models of phase transition for different times of relaxation has been performed. The model for the fixed relaxation time based on the experimentally determined radius of liquid droplets was compared with the model of dynamically changing relaxation time, calculated by the formula (7) and depending on local parameters. It is shown that the relaxation time varies significantly depending on the thermodynamic conditions of the two-phase medium in the course of outflowing. The application of the proposed model with dynamic relaxation time leads to qualitatively correct results. The model can be used for both vaporization and condensation processes. It is shown that the model can be improved on the basis of processing experimental data on the distribution of the droplet sizes formed during the breaking up of the liquid jet.

Infrared spectra and density functional calculations for SMO2 molecules (M = Cr, Mo, W).

PubMed

Wang, Xuefeng; Andrews, Lester

2009-08-06

Infrared absorptions of the matrix isolated SMO2 (M = Cr, Mo, W) molecules were observed following laser-ablated metal atom reactions with SO2 during condensation in solid argon and neon. The symmetric and antisymmetric M-O stretching mode assignments were confirmed by appropriate S18O2 and S(16,18)O2 isotopic shifts. The much weaker Cr-S stretching mode was identified through its 34S shift. Density functional (B3LYP and BPW91) calculations were performed to obtain molecular structures and to reproduce the infrared spectra. Computed pyramidal structures for the SMO2 molecules are very similar to those for the analogous trioxides and this functional group in [MO2S(bdt)]2- complexes. Additional weaker absorptions are assigned to the (SO2)(SMO2) adducts, which are stabilized by a four-membered ring.

Convergence of the chiral expansion in two-flavor lattice QCD.

PubMed

Noaki, J; Aoki, S; Chiu, T W; Fukaya, H; Hashimoto, S; Hsieh, T H; Kaneko, T; Matsufuru, H; Onogi, T; Shintani, E; Yamada, N

2008-11-14

We test the convergence property of the chiral perturbation theory using a lattice QCD calculation of pion mass and decay constant with two dynamical quark flavors. The lattice calculation is performed using the overlap fermion formulation, which realizes exact chiral symmetry at finite lattice spacing. By comparing various expansion prescriptions, we find that the chiral expansion is well saturated at the next-to-leading order for pions lighter than approximately 450 MeV. Better convergence behavior is found, in particular, for a resummed expansion parameter xi, with which the lattice data in the pion mass region 290-750 MeV can be fitted well with the next-to-next-to-leading order formulas. We obtain the results in two-flavor QCD for the low energy constants l[over ]_{3} and l[over ]_{4} as well as the pion decay constant, the chiral condensate, and the average up and down quark mass.

Spectral functions with the density matrix renormalization group: Krylov-space approach for correction vectors

DOE PAGES

None, None

2016-11-21

Frequency-dependent correlations, such as the spectral function and the dynamical structure factor, help illustrate condensed matter experiments. Within the density matrix renormalization group (DMRG) framework, an accurate method for calculating spectral functions directly in frequency is the correction-vector method. The correction vector can be computed by solving a linear equation or by minimizing a functional. Our paper proposes an alternative to calculate the correction vector: to use the Krylov-space approach. This paper also studies the accuracy and performance of the Krylov-space approach, when applied to the Heisenberg, the t-J, and the Hubbard models. The cases we studied indicate that themore » Krylov-space approach can be more accurate and efficient than the conjugate gradient, and that the error of the former integrates best when a Krylov-space decomposition is also used for ground state DMRG.« less

First principles calculations of thermal conductivity with out of equilibrium molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Puligheddu, Marcello; Gygi, Francois; Galli, Giulia

The prediction of the thermal properties of solids and liquids is central to numerous problems in condensed matter physics and materials science, including the study of thermal management of opto-electronic and energy conversion devices. We present a method to compute the thermal conductivity of solids by performing ab initio molecular dynamics at non equilibrium conditions. Our formulation is based on a generalization of the approach to equilibrium technique, using sinusoidal temperature gradients, and it only requires calculations of first principles trajectories and atomic forces. We discuss results and computational requirements for a representative, simple oxide, MgO, and compare with experiments and data obtained with classical potentials. This work was supported by MICCoM as part of the Computational Materials Science Program funded by the U.S. Department of Energy (DOE), Office of Science , Basic Energy Sciences (BES), Materials Sciences and Engineering Division under Grant DOE/BES 5J-30.

Plant polyketide synthases: a chalcone synthase-type enzyme which performs a condensation reaction with methylmalonyl-CoA in the biosynthesis of C-methylated chalcones.

PubMed

Schröder, J; Raiber, S; Berger, T; Schmidt, A; Schmidt, J; Soares-Sello, A M; Bardshiri, E; Strack, D; Simpson, T J; Veit, M; Schröder, G

1998-06-09

Heterologous screening of a cDNA library from Pinusstrobus seedlings identified clones for two chalcone synthase (CHS) related proteins (PStrCHS1 and PStrCHS2, 87.6% identity). Heterologous expression in Escherichia coli showed that PStrCHS1 performed the typical CHS reaction, that it used starter CoA-esters from the phenylpropanoid pathway, and that it performed three condensation reactions with malonyl-CoA, followed by the ring closure to the chalcone. PstrCHS2 was completely inactive with these starters and also with linear CoA-esters. Activity was detected only with a diketide derivative (N-acetylcysteamine thioester of 3-oxo-5-phenylpent-4-enoic acid) that corresponded to the CHS reaction intermediate postulated after the first condensation reaction. PstrCHS2 performed only one condensation, with 6-styryl-4-hydroxy-2-pyrone derivatives as release products. The enzyme preferred methylmalonyl-CoA against malonyl-CoA, if only methylmalonyl-CoA was available. These properties and a comparison with the CHS from Pinus sylvestris suggested for PstrCHS2 a special function in the biosynthesis of secondary products. In contrast to P. sylvestris, P. strobus contains C-methylated chalcone derivatives, and the methyl group is at the position predicted from a chain extension with methylmalonyl-CoA in the second condensation of the biosynthetic reaction sequence. We propose that PstrCHS2 specifically contributes the condensing reaction with methylmalonyl-CoA to yield a methylated triketide intermediate. We discuss a model that the biosynthesis of C-methylated chalcones represents the simplest example of a modular polyketide synthase.

Exploring Energy Landscapes

NASA Astrophysics Data System (ADS)

Wales, David J.

2018-04-01

Recent advances in the potential energy landscapes approach are highlighted, including both theoretical and computational contributions. Treating the high dimensionality of molecular and condensed matter systems of contemporary interest is important for understanding how emergent properties are encoded in the landscape and for calculating these properties while faithfully representing barriers between different morphologies. The pathways characterized in full dimensionality, which are used to construct kinetic transition networks, may prove useful in guiding such calculations. The energy landscape perspective has also produced new procedures for structure prediction and analysis of thermodynamic properties. Basin-hopping global optimization, with alternative acceptance criteria and generalizations to multiple metric spaces, has been used to treat systems ranging from biomolecules to nanoalloy clusters and condensed matter. This review also illustrates how all this methodology, developed in the context of chemical physics, can be transferred to landscapes defined by cost functions associated with machine learning.

Accounting for the Effect of Noncondensing Gases on Interphasic Heat and Mass Transfer in the Two-Fluid Model Used in the KORSAR Code

NASA Astrophysics Data System (ADS)

Yudov, Yu. V.

2018-03-01

A model is presented of the interphasic heat and mass transfer in the presence of noncondensable gases for the KORSAR/GP design code. This code was developed by FGUP NITI and the special design bureau OKB Gidropress. It was certified by Rostekhnadzor in 2009 for numerical substantiation of the safety of reactor installations with VVER reactors. The model is based on the assumption that there are three types of interphasic heat and mass transfer of the vapor component: vapor condensation or evaporation on the interphase under any thermodynamic conditions of the phases, pool boiling of the liquid superheated above the saturation temperature at the total pressure, and spontaneous condensation in the volume of gas phase supercooled below the saturation temperature at the vapor partial pressure. Condensation and evaporation on the interphase continuously occur in a two-phase flow and control the time response of the interphase heat and mass transfer. Boiling and spontaneous condensation take place only at the metastable condition of the phases and run at a quite high speed. The procedure used for calculating condensation and evaporation on the interphase accounts for the combined diffusion and thermal resistance of mass transfer in all regimes of the two-phase flow. The proposed approach accounts for, in a natural manner, a decrease in the rate of steam condensation (or generation) in the presence of noncondensing components in the gas phase due to a decrease (or increase) in the interphase temperature relative to the saturation temperature at the vapor partial pressure. The model of the interphase heat transfer also accounts for the processes of dissolution or release of noncondensing components in or from the liquid. The gas concentration at the interphase and on the saturation curve is calculated by the Henry law. The mass transfer coefficient in gas dissolution is based on the heat and mass transfer analogy. Results are presented of the verification of the interphase heat and mass transfer used in the KORSAR/GP code based on the data on film condensation of steam-air flows in vertical pipes. The proposed model was also tested by solving a problem of nitrogen release from a supersaturated water solution.

Bacterial killing by several root filling materials and methods in an ex vivo infected root canal model.

PubMed

Özcan, E; Eldeniz, A U; Arı, H

2011-12-01

To evaluate the ability of two root canal sealers (Epoxy resin-based AH Plus or polydimethylsiloxane-based GuttaFlow) and five root filling techniques (continuous wave of condensation, Thermafil, lateral condensation, matched taper single gutta-percha point, laterally condensed-matched taper gutta-percha point) to kill bacteria in experimentally infected dentinal tubules. An infected dentine block model was used. One hundred and twenty extracted, single-rooted human teeth were randomly divided into 10 test (n = 10) and 2 control (n = 10) groups. The roots, except negative controls, were infected with Enterococcus faecalis for 21 days. The root canals were then filled using the test materials and methods. Positive controls were not filled. Sterile roots were used as negative controls. Dentine powder was obtained from all root canals using gates glidden drills using a standard method. The dentine powder was diluted and inoculated into bacterial growth media. Total colony-forming units (CFU) were calculated for each sample. Statistical analysis was performed using the Kruskal-Wallis and Mann-Whitney U test. The epoxy resin-based sealer was effective in killing E. faecalis except when using Thermafil (P < 0.05), but the polydimethylsiloxane-based sealer was not effective in killing this microorganism except in the continuous wave group (P < 0.05). In the test model, AH Plus killed bacteria in infected dentine more effectively than GuttaFlow. The filling method was less important than the sealer material. © 2011 International Endodontic Journal.

Evidence for Limited Indirect Aerosol Forcing in Stratocumulus

NASA Technical Reports Server (NTRS)

Ackerman, Andrew S.; Toon, O. B.; Stevens, D. E.

2003-01-01

Increases in cloud cover and condensed water contribute more than half of the indirect aerosol effect in an ensemble of general circulation model (GCM) simulations estimating the global radiative forcing of anthropogenic aerosols. We use detailed simulations of marine stratocumulus clouds and airborne observations of ship tracks to show that increases in cloud cover and condensed water in reality are far less than represented by the GCM ensemble. Our results offer an explanation for recent simplified inverse climate calculations indicating that indirect aerosol effects are greatly exaggerated in GCMs.

Generalization of the quasi-geostrophic Eliassen-Palm flux to include eddy forcing of condensation heating

NASA Technical Reports Server (NTRS)

Stone, P. H.; Salustri, G.

1984-01-01

A modified Eulerian form of the Eliassen-Palm flux which includes the effect of eddy forcing on condensation heating is defined. With the two-dimensional vector flux in the meridional plane which is a function of the zonal mean eddy fluxes replaced by the modified flux, both the Eliassen-Palm theorem and a modified but more general form of the nonacceleration theorem for quasi-geostrophic motion still hold. Calculations of the divergence of the modified flux and of the eddy forcing of the moisture field are presented.

Transgenic upregulation of the condensed tannin pathway in poplar leads to a dramatic shift in leaf palatability for two tree-feeding Lepidoptera.

PubMed

Boeckler, G Andreas; Towns, Megan; Unsicker, Sybille B; Mellway, Robin D; Yip, Lynn; Hilke, Ines; Gershenzon, Jonathan; Constabel, C Peter

2014-02-01

Transgenic hybrid aspen (Populus tremula x tremuloides) overexpressing the MYB134 tannin regulatory gene show dramatically enhanced condensed tannin (proanthocyanidin) levels, as well as shifts in other phenolic metabolites. A series of insect bioassays with forest tent caterpillars (Malacosoma disstria) and gypsy moth (Lymantria dispar) caterpillars was carried out to determine how this metabolic shift affects food preference and performance of generalist tree-feeding lepidopterans. Both species showed a distinct preference for the high-tannin MYB134 overexpressor plants, and L. dispar performance was enhanced relative to controls. L. dispar reached greater pupal weight and showed reduced time to pupation when reared on the MYB134 overexpressing poplar. These results were unexpected since enhanced condensed tannin levels were predicted to act as feeding deterrents. However, the data may be explained by the observed decrease in the salicinoids (phenolic glycosides) salicortin and tremulacin that accompanied the upregulation of the condensed tannins in the transgenics. We conclude that for these two lepidopteran species, condensed tannin levels are unlikely to be a major determinant of caterpillar food preference or performance. However, our experiments show that overexpression of a single regulatory gene in transgenic aspen can have a significant impact on herbivorous insects.

POLLUTION PREVENTION IN INDUSTRIAL CONDENSATION REACTIONS

EPA Science Inventory

The objective of this project is to develop heterogeneous acid-base catalysts to increase the economic and environmental performance of the current homogeneous catalysts used to make industrially important condensation products. Such products include methyl isobutyl ketone ...

Project W-320, 241-C-106 sluicing HVAC calculations, Volume 1

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

Bailey, J.W.

1998-08-07

This supporting document has been prepared to make the FDNW calculations for Project W-320, readily retrievable. The report contains the following calculations: Exhaust airflow sizing for Tank 241-C-106; Equipment sizing and selection recirculation fan; Sizing high efficiency mist eliminator; Sizing electric heating coil; Equipment sizing and selection of recirculation condenser; Chiller skid system sizing and selection; High efficiency metal filter shielding input and flushing frequency; and Exhaust skid stack sizing and fan sizing.

The optimal operation of cooling tower systems with variable-frequency control

NASA Astrophysics Data System (ADS)

Cao, Yong; Huang, Liqing; Cui, Zhiguo; Liu, Jing

2018-02-01

This study investigates the energy performance of chiller and cooling tower systems integrated with variable-frequency control for cooling tower fans and condenser water pumps. With regard to an example chiller system serving an office building, Chiller and cooling towers models were developed to assess how different variable-frequency control methods of cooling towers fans and condenser water pumps influence the trade-off between the chiller power, pump power and fan power under various operating conditions. The matching relationship between the cooling tower fans frequency and condenser water pumps frequency at optimal energy consumption of the system is introduced to achieve optimum system performance.

Effects of feeding condensed distillers solubles and crude glycerin alone or in combination on finishing beef cattle performance, carcass characteristics, and in vitro fermentation.

USDA-ARS?s Scientific Manuscript database

Two experiments were conducted to evaluate the effects of feeding condensed distillers solubles (DS) and crude glycerin alone or in combination on performance of finishing beef cattle and in vitro fermentation. In both experiments, dietary treatments consisted of a steam flaked corn (SFC) based diet...

Comparative study during condensation of R152 a and R134 a with presence of non-condensable gas inside a vertical tube

NASA Astrophysics Data System (ADS)

Charef, Adil; Feddaoui, M'barek; Najim, Monssif; Meftah, Hicham

2018-04-01

A computational study of the liquid film condensation from vapour-gas mixtures of HFC refrigerants inside a vertical tube is performed. The external wall of the tube is subjected to constant temperature. The model uses an implicit finite difference method to solve the governing equations for the liquid film and gas flow together including the boundary and interfacial matching conditions. Parametric computations were realised to examine the effects of inlet Reynolds number, tube length, and inlet temperature of the gas mixtures on the condensation mechanism. A comparative study between the results obtained for studied R152 a and R134 a with presence of non-condensable gas is made. The predicted results indicate that the condensation of R152 a-air corresponds to a higher accumulated condensation m c d and local heat transfer coefficient h T when compared to R134 a-air in the same conditions. Increasing the inlet Reynolds number or the tube length improve the condensation. Additionally, lower non-condensable gas in R152 a - a i r substantially enhances the heat and mass exchanges.

Recurrent filmwise and dropwise condensation on a beetle mimetic surface.

PubMed

Hou, Youmin; Yu, Miao; Chen, Xuemei; Wang, Zuankai; Yao, Shuhuai

2015-01-27

Vapor condensation plays a key role in a wide range of industrial applications including power generation, thermal management, water harvesting and desalination. Fast droplet nucleation and efficient droplet departure as well as low interfacial thermal resistance are important factors that determine the thermal performances of condensation; however, these properties have conflicting requirements on the structural roughness and surface chemistry of the condensing surface or condensation modes (e.g., filmwise vs dropwise). Despite intensive efforts over the past few decades, almost all studies have focused on the dropwise condensation enabled by superhydrophobic surfaces. In this work, we report the development of a bioinspired hybrid surface with high wetting contrast that allows for seamless integration of filmwise and dropwise condensation modes. We show that the synergistic cooperation in the observed recurrent condensation modes leads to improvements in all aspects of heat transfer properties including droplet nucleation density, growth rate, and self-removal, as well as overall heat transfer coefficient. Moreover, we propose an analytical model to optimize the surface morphological features for dramatic heat transfer enhancement.

A Robust, Gravity-Insensitive, High-Temperature Condenser for Water Recovery

NASA Technical Reports Server (NTRS)

Chen, Weibo; Conboy, Thomas; Ewert, Michael

2016-01-01

Regenerative life support systems are vital for NASA's future long-duration human space exploration missions. A Heat Melt Compactor (HMC) system is being developed by NASA to dry and compress trash generated during space missions. The resulting water vapor is recovered and separated from the process gas flow by a gravity-insensitive condenser. Creare is developing a high-temperature condenser for this application. The entire condenser is constructed from metals that have excellent resistance to chemical attack from contaminants and is suitable for high-temperature operation. The metal construction and design configuration also offer greatest flexibility for potential coating and regeneration processes to reduce biofilm growth and thus enhancing the reliability of the condenser. The proposed condenser builds on the gravity-insensitive phase separator technology Creare developed for aircraft and spacecraft applications. This paper will first discuss the design requirements for the condenser in an HMC system that will be demonstrated on the International Space Station (ISS). Then, it will present the overall design of the condenser and the preliminary thermal test results of a subscale condenser. Finally, this paper will discuss the predicted performance of the full-size condenser and the development plan to mature the technology and enhance its long-term reliability for a flight system.

Condensation and Evaporation of Solar System Materials

NASA Astrophysics Data System (ADS)

Davis, A. M.; Richter, F. M.

2003-12-01

It is widely believed that the materials making up the solar system were derived from a nebular gas and dust cloud that went through an early high-temperature stage during which virtually all of the material was in the gas phase. At one time, it was thought that the entire inner solar nebula was hot, but it is now believed that most material was processed through regions where high temperatures were achieved. Certainly some material, such as presolar grains (cf., Mendybaev et al., 2002a), has never been exposed to high temperatures. As the system cooled, solids and perhaps liquids began to condense, but at some point the partially condensed materials became isolated from the remaining gas. Various lines of evidence support this view. At the largest scale, there is the observation that the Earth, Moon, Mars, and all chondritic meteorites except for the CI chondrites are depleted to varying degrees in the abundances of moderately volatile elements relative to bulk solar system composition. The CI chondrites reflect the bulk composition of the solar system for all but hydrogen, carbon, nitrogen, oxygen, and the rare gases, the most volatile elements (see Chapter 1.03; Palme et al., 1988; McDonough and Sun, 1995; Humayun and Cassen, 2000). The depletions in moderately volatile elements are, to a significant degree, correlated with condensation temperature, suggesting progressive removal of gas as condensation proceeded ( Cassen, 1996). Additional observations that can be explained by partial condensation are that various particularly primitive components of meteorites (e.g., calcium-, aluminum-rich refractory inclusions, and certain metal grains) have mineralogy and/or details of their chemical composition that are remarkably similar to what is calculated for equilibrium condensates from a solar composition gas. For example, the calcium-, aluminum-rich inclusions (CAIs) in chondritic meteorites have compositions very similar to that calculated for the first 5% of total condensable matter (see Chapter 1.08; Grossman, 1973; Wänke et al., 1974; Grossman and Ganapathy, 1976; Grossman et al., 1977), where CI chondrites are taken to represent total condensable matter.Elemental abundance patterns ordered by volatility certainly could have been produced by partial condensation, but they could also have been caused by partial evaporation. The relative importance of these opposite processes is still subject to debate and uncertainty. It should be remembered that condensation calculations typically assume chemical equilibrium in a closed system, in which case the system has no memory of the path by which it arrived at a given state, and thus the chemical and isotopic composition of the condensed phase cannot be used to distinguish between partial condensation and partial evaporation. Humayun and Clayton (1995) have taken a somewhat different view by arguing that condensation and evaporation are distinguishable, in that evaporation, but not condensation, will produce isotopically fractionated residues. With this idea in mind, they carefully measured the potassium isotopic compositions of a broad range of solar system materials with different degrees of potassium depletion and found them to be indistinguishable. This they took as evidence that evaporation could not have been a significant process in determining the diverse elemental abundance patterns of the various solar system materials they measured, because had evaporation been important in fractionating potassium it would have also fractionated the potassium isotopes. We will qualify this line of reasoning by arguing that evaporation and condensation can under certain conditions produce isotopically fractionated condensed phases (i.e., that partial evaporation can produce isotopically heavy residues and that partial condensation can produce isotopically light condensates) but that under other conditions both can produce elemental fractionations without significant isotopic fractionation. The absence of isotopic fractionation in a volatile element-depleted condensed phase is more a measure of the degree to which the system maintained thermodynamic equilibrium than a diagnostic of whether the path involved condensation or evaporation.The pervasive volatile element depletion of inner solar system planets and the asteroidal parent bodies of most meteorites is a major, but by no means the only reason to consider evaporation and condensation processes in the early history of the solar system. Chondrules appear to have been rapidly heated and then cooled over a period of minutes to hours (see Chapter 1.07). If this occurred in a gas of solar composition under nonequilibrium conditions, chondrules should have partially evaporated and an isotopic fractionation record should remain. The absence of such effects can be used to chonstrain the conditions of chondrule formation (e.g., Alexander et al., 2000; Alexander and Wang, 2001). There is good petrologic, chemical, and isotopic evidence suggesting that certain solar system materials such as the coarse-grained CAIs are likely evaporation residues. For example, the type B CAIs are often found to have correlated enrichments in the heavy isotopes of silicon and magnesium ( Figure 1), and these isotopic fractionations are very much like those of evaporation residues produced in laboratory experiments. Condensation also appears to be a major control of elemental zoning patterns in metal grains in CH chondrites (Meibom et al., 1999, 2001; Campbell et al., 2001; Petaev et al., 2001; Campbell et al., 2002). A more contemporary example is the isotopic and chemical compositions of deep-sea spherules that have been significantly affected by evaporative loss during atmospheric entry ( Davis et al., 1991a; Davis and Brownlee, 1993; Herzog et al., 1994, 1999; Xue et al., 1995; Alexander et al., 2002). (7K)Figure 1. Isotopic mass fractionation effects in CAIs. Most coarse-grained CAIs have enrichments of a few ‰ amu-1 in magnesium and silicon, whereas "fractionation and unknown nuclear" (FUN) CAIs are isotopically heavier. The volatile element depletion patterns of planetary size objects and the chemical and isotopic composition of numerous smaller objects such as chondrules and CAIs provide the motivation to consider evaporation and condensation process in the early solar system. The key point is that the processes that led to chondrules and planets appear to have occurred under conditions very close to equilibrium, whereas the processes that led to CAIs involved significant departures from equilibrium.

Measuring Relative Humidity.

ERIC Educational Resources Information Center

Pinkham, Chester A.; Barrett, Kristin Burrows

1992-01-01

Describes four experiments that enable students to explore the phenomena of evaporation and condensation and determine the relative humidity by measuring air temperature and dew point on warm September days. Provides tables to calculate saturation points and relative humidity. (MDH)

40 CFR 89.309 - Analyzers required for gaseous emissions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... condensation is acceptable. A water trap performing this function and meeting the specifications in § 89.308(b) is an acceptable method. Means other than condensation may be used only with prior approval from the...

CWSA (Condensate Water Separator Assembly)

NASA Image and Video Library

2009-05-14

ISS019-E-016029 (14 May 2009) --- Japan Aerospace Exploration Agency (JAXA) astronaut Koichi Wakata, Expedition 19/20 flight engineer, performs in-flight maintenance on the Condensate Water Separator Assembly (CWSA) in the Columbus laboratory of the International Space Station.

40 CFR 89.309 - Analyzers required for gaseous emissions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... condensation is acceptable. A water trap performing this function and meeting the specifications in § 89.308(b) is an acceptable method. Means other than condensation may be used only with prior approval from the...

40 CFR 89.309 - Analyzers required for gaseous emissions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... condensation is acceptable. A water trap performing this function and meeting the specifications in § 89.308(b) is an acceptable method. Means other than condensation may be used only with prior approval from the...

Electrode performance parameters for a radioisotope-powered AMTEC for space power applications

NASA Technical Reports Server (NTRS)

Underwood, M. L.; O'Connor, D.; Williams, R. M.; Jeffries-Nakamura, B.; Ryan, M. A.; Bankston, C. P.

1992-01-01

The alkali metal thermoelastic converter (AMTEC) is a device for the direct conversion of heat to electricity. Recently a design of an AMTEC using a radioisotope heat source was described, but the optimum condenser temperature was hotter than the temperatures used in the laboratory to develop the electrode performance model. Now laboratory experiments have confirmed the dependence of two model parameters over a broader range of condenser and electrode temperatures for two candidate electrode compositions. One parameter, the electrochemical exchange current density at the reaction interface, is independent of the condenser temperature, and depends only upon the collision rate of sodium at the reaction zone. The second parameter, a morphological parameter, which measures the mass transport resistance through the electrode, is independent of condenser and electrode temperatures for molybdenum electrodes. For rhodium-tungsten electrodes, however, this parameter increases for decreasing electrode temperature, indicating an activated mass transport mechanism such as surface diffusion.

Correlation Equations for Condensing Heat Exchangers Based on an Algorithmic Performance-Data Classification

NASA Astrophysics Data System (ADS)

Pacheco-Vega, Arturo

2016-09-01

In this work a new set of correlation equations is developed and introduced to accurately describe the thermal performance of compact heat exchangers with possible condensation. The feasible operating conditions for the thermal system correspond to dry- surface, dropwise condensation, and film condensation. Using a prescribed form for each condition, a global regression analysis for the best-fit correlation to experimental data is carried out with a simulated annealing optimization technique. The experimental data were taken from the literature and algorithmically classified into three groups -related to the possible operating conditions- with a previously-introduced Gaussian-mixture-based methodology. Prior to their use in the analysis, the correct data classification was assessed and confirmed via artificial neural networks. Predictions from the correlations obtained for the different conditions are within the uncertainty of the experiments and substantially more accurate than those commonly used.

Dual-phase reactor plant with partitioned isolation condenser

DOEpatents

Hui, Marvin M.

1992-01-01

A nuclear energy plant housing a boiling-water reactor utilizes an isolation condenser in which a single chamber is partitioned into a distributor plenum and a collector plenum. Steam accumulates in the distributor plenum and is conveyed to the collector plenum through an annular manifold that includes tubes extending through a condenser pool. The tubes provide for a transfer of heat from the steam, forming a condensate. The chamber has a disk-shaped base, a cylindrical sidewall, and a semispherical top. This geometry results in a compact design that exhibits significant performance and cost advantages over prior designs.

Enhanced Evaporation and Condensation in Tubes

NASA Astrophysics Data System (ADS)

Honda, Hiroshi

A state-of-the-art review of enhanced evaporation and condensation in horizontal microfin tubes and micro-channels that are used for air-conditioning and refrigeration applications is presented. The review covers the effects of flow pattern and geometrical parameters of the tubes on the heat transfer performance. Attention is paid to the effect of surface tension which leads to enhanced evaporation and condensation in the microfin tubes and micro-channels. A review of prior efforts to develop empirical correlations of the heat transfer coefficient and theoretical models for evaporation and condensation in the horizontal microfin tubes and micro-channels is also presented.

Influence of iodine on the treatment of spacecraft humidity condensate to produce potable water

NASA Technical Reports Server (NTRS)

Symons, James M.; Muckle, Susan V.

1990-01-01

Several compounds in the ersatz humidity condensate do react with iodine to form iodine-substituted organic compounds (TOI), most notably phenol, acetaldehyde, ethanol, and sodium formate. Iodination of the ersatz humidity condensate produced 3.0 to 3.5 mg/L of TOI within 24 hours. The TOI that was produced by the passage of the ersatz humidity condensate through the first iodinated resin (IR) in the adsorption system was removed by the granular activated carbon that followed. TOI detected in the final effluent was formed by the reaction of the non-adsorbable condensate compounds with the final IR in the treatment series. The activated carbon bed series in the adsorption system performed poorly in its removal of TOC. The rapid breakthrough of TOC was not surprising, as the ersatz humidity condensate contained several highly soluble organic compounds, alcohols and organic acids.

Calculation and synthesis of ZrC by CVD from ZrCl4-C3H6-H2-Ar system with high H2 percentage

NASA Astrophysics Data System (ADS)

Zhu, Yan; Cheng, Laifei; Ma, Baisheng; Gao, Shuang; Feng, Wei; Liu, Yongsheng; Zhang, Litong

2015-03-01

A thermodynamic calculation about the synthesis of ZrC from the ZrCl4-C3H6-H2-Ar system with high percentage of H2 was performed using the FactSage thermochemical software. According to the calculation, ZrC coating was synthesized on graphite substrates and carbon fibers by a low pressure chemical vapor deposition (LPCVD) process, and growth rate of the ZrC coating as a function of temperature was investigated. The surface diagrams of condensed-phases in this system were expressed as the functions of the deposition temperature, total pressure and reactant ratios of ZrCl4/(ZrCl4 + C3H6), H2/(ZrCl4 + C3H6), and the yield of the products was determined by the diagrams. A smooth and dense ZrC coating could be synthesized under the instruction of the calculated parameters. The morphologies of the ZrC coatings were significantly affected by temperature and gases flux. The deposition temperature is much lower than that from the ZrCl4-CH4-H2-Ar system.

Analytic Approximation of Carbon Condensation Issues in Type ii Supernovae

NASA Astrophysics Data System (ADS)

Clayton, Donald D.

2013-01-01

I present analytic approximations for some issues related to condensation of graphite, TiC, and silicon carbide in oxygen-rich cores of supernovae of Type II. Increased understanding, which mathematical analysis can support, renders researchers more receptive to condensation in O-rich supernova gases. Taking SN 1987A as typical, my first analysis shows why the abundance of CO molecules reaches an early maximum in which free carbon remains more abundant than CO. This analysis clarifies why O-rich gas cannot oxidize C if 56Co radioactivity is as strong as in SN 1987A. My next analysis shows that the CO abundance could be regarded as being in chemical equilibrium if the CO molecule is given an effective binding energy rather than its laboratory dissociation energy. The effective binding energy makes the thermal dissociation rate of CO equal to its radioactive dissociation rate. This preserves possible relevance for the concept of chemical equilibrium. My next analysis shows that the observed abundances of CO and SiO molecules in SN 1987A rule out frequent suggestions that equilibrium condensation of SUNOCONs has occurred following atomic mixing of the He-burning shell with more central zones in such a way as to reproduce roughly the observed spectrum of isotopes in SUNOCONs while preserving C/O > 1. He atoms admixed along with the excess carbon would destroy CO and SiO molecules, leaving their observed abundances unexplained. The final analysis argues that a chemical quasiequilibrium among grains (but not gas) may exist approximately during condensation, so that its computational use is partially justified as a guide to which mineral phases would be stable against reactions with gas. I illustrate this point with quasiequilibrium calculations by Ebel & Grossman that have shown that graphite is stable even when O/C >1 if prominent molecules are justifiably excluded from the calculation of chemical equilibrium.

A Fast and Efficient Version of the TwO-Moment Aerosol Sectional (TOMAS) Global Aerosol Microphysics Model

NASA Technical Reports Server (NTRS)

Lee, Yunha; Adams, P. J.

2012-01-01

This study develops more computationally efficient versions of the TwO-Moment Aerosol Sectional (TOMAS) microphysics algorithms, collectively called Fast TOMAS. Several methods for speeding up the algorithm were attempted, but only reducing the number of size sections was adopted. Fast TOMAS models, coupled to the GISS GCM II-prime, require a new coagulation algorithm with less restrictive size resolution assumptions but only minor changes in other processes. Fast TOMAS models have been evaluated in a box model against analytical solutions of coagulation and condensation and in a 3-D model against the original TOMAS (TOMAS-30) model. Condensation and coagulation in the Fast TOMAS models agree well with the analytical solution but show slightly more bias than the TOMAS-30 box model. In the 3-D model, errors resulting from decreased size resolution in each process (i.e., emissions, cloud processing wet deposition, microphysics) are quantified in a series of model sensitivity simulations. Errors resulting from lower size resolution in condensation and coagulation, defined as the microphysics error, affect number and mass concentrations by only a few percent. The microphysics error in CN70CN100 (number concentrations of particles larger than 70100 nm diameter), proxies for cloud condensation nuclei, range from 5 to 5 in most regions. The largest errors are associated with decreasing the size resolution in the cloud processing wet deposition calculations, defined as cloud-processing error, and range from 20 to 15 in most regions for CN70CN100 concentrations. Overall, the Fast TOMAS models increase the computational speed by 2 to 3 times with only small numerical errors stemming from condensation and coagulation calculations when compared to TOMAS-30. The faster versions of the TOMAS model allow for the longer, multi-year simulations required to assess aerosol effects on cloud lifetime and precipitation.

Pseudoscalar D and B mesons in the hot dense and nonstrange symmetric medium

NASA Astrophysics Data System (ADS)

Chhabra, Rahul; Kumar, Arvind

2017-01-01

We investigate the effect of temperature and density on the shift in the masses and decay constants of the pseudoscalar D and B mesons in the nonstrange symmetric medium. We use chiral SU(3) model to calculate the medium modified scalar and isoscalar fields σ, ζ, δ and χ. We use these modified fields to calculate the in-medium quark and gluon condensates by solving the coupled equations of motions in the chiral SU(3) model. We obtain the medium modified mass and decay constant through these medium modified condensates using the QCD sum rules. Further we use the 3P0 model by taking the internal structure of the mesons to calculate the in-medium decay width of the higher charmonium states χ(3556) , ψ(3686) and ψ(3770) to the D D pairs, through the in-medium mass of D meson and neglecting the mass modification of higher charmonium states. We also compare the present data with the previous results. These results of present investigation may be important to explain the possible outcomes of the experiments like CBM, Panda at GSI.

High-power CO laser with RF discharge for isotope separation employing condensation repression

NASA Astrophysics Data System (ADS)

Baranov, I. Ya.; Koptev, A. V.

2008-10-01

High-power CO laser can be the effective tool in such applications as isotope separation using the free-jet CRISLA method. The way of transfer from CO small-scale experimental installation to industrial high-power CO lasers is proposed through the use of a low-current radio-frequency (RF) electric discharge in a supersonic stream without an electron gun. The calculation model of scaling CO laser with RF discharge in supersonic stream was developed. The developed model allows to calculate parameters of laser installation and optimize them with the purpose of reception of high efficiency and low cost of installation as a whole. The technical decision of industrial CO laser for isotope separation employing condensation repression is considered. The estimated cost of laser is some hundred thousand dollars USA and small sizes of laser head give possibility to install it in any place.

Ultraviolet absorption spectrum of the half-filled bilayer graphene

NASA Astrophysics Data System (ADS)

Apinyan, V.; Kopeć, T. K.

2018-07-01

We consider the optical properties of the half-filled AB-stacked bilayer graphene with the excitonic pairing and condensation between the layers. Both intra and interlayer local Coulomb interaction effects have been taken into account and the role of the exact Fermi energy has been discussed in details. We have calculated the absorption coefficient, refractive index, dielectric response functions and the electron energy loss spectrum for different interlayer Coulomb interaction regimes and for different temperatures. Considering the full four-band model for the interacting AB bilayer graphene, a good agreement is achieved with other theoretical and experimental works on the subject, in particular, limiting cases of the theory. The calculations, presented here, permit to estimate accurately the effects of excitonic pairing and condensation on the optical properties of the bilayer graphene. The modifications of the plasmon excitation spectrum are discussed in details for a very large interval of the interlayer interaction parameter.

Tin sulfides and tin selenides at ambient and high pressure conditions

NASA Astrophysics Data System (ADS)

Nguyen Cong, Kien; Gonzalez, Joseph; Steele, Brad; Oleynik, Ivan

The application of high pressure promotes unusual chemical bonding in condensed phase resulting in the synthesis of novel materials, which may be recoverable in metastable states at ambient conditions. First-principles evolutionary crystal structure search is performed to explore novel tin sulfide (SnxSy) and tin selenide (SnxSy) crystals with the goal to discover novel photovoltaic and thermoelectric materials. Variable stoichiometry searches at various pressures are performed and the phase diagrams are constructed in the range of pressures 0-100 GPa, which include both the thermodynamically stable and lowest enthalpy metastable structures. Several new structures are identified and their dynamical stability is investigated. To help experimental synthesis of these novel compounds, Raman spectra and XRD patterns are also calculated. These new materials are also investigated to identify those with promising photovoltaic and thermoelectric properties.

Posttest analysis of MIST Test 3109AA using TRAC-PF1/MOD1

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

Steiner, J.L.; Siebe, D.A.; Boyack, B.E.

This document discusses a posttest calculation and analysis of Multi-loop Integral System Test (MIST) 3109AA as the nominal test for the MIST program. It is a test of a small-break loss-of-coolant accident (SBLOCA) with a scaled 10-cm{sup 2} break in the B1 cold leg. The test exhibited the major post-SBLOCA phenomena, as expected, including depressurization to saturation, intermittent and interrupted loop flow, boiler-condenser mode cooling, refill, and postrefill cooldown. Full high-pressure injection and auxiliary feedwater were available, reactor coolant pumps were not available, and reactor-vessel vent valves and guard heaters were automatically controlled. Constant level control in the steam-generator secondariesmore » was used after steam-generator secondary refill and symmetric steam-generator pressure control was used. We performed the calculation using TRAC-PF1/MODI. Agreement between test data and the calculation was generally reasonable. All major trends and phenomena were correctly predicted. It is believed that the correct conclusions about trends and phenomena will be reached if the code is used in similar applications.« less

Posttest analysis of MIST Test 3109AA using TRAC-PF1/MOD1

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

Steiner, J.L.; Siebe, D.A.; Boyack, B.E.

This document discusses a posttest calculation and analysis of Multi-loop Integral System Test (MIST) 3109AA as the nominal test for the MIST program. It is a test of a small-break loss-of-coolant accident (SBLOCA) with a scaled 10-cm[sup 2] break in the B1 cold leg. The test exhibited the major post-SBLOCA phenomena, as expected, including depressurization to saturation, intermittent and interrupted loop flow, boiler-condenser mode cooling, refill, and postrefill cooldown. Full high-pressure injection and auxiliary feedwater were available, reactor coolant pumps were not available, and reactor-vessel vent valves and guard heaters were automatically controlled. Constant level control in the steam-generator secondariesmore » was used after steam-generator secondary refill and symmetric steam-generator pressure control was used. We performed the calculation using TRAC-PF1/MODI. Agreement between test data and the calculation was generally reasonable. All major trends and phenomena were correctly predicted. It is believed that the correct conclusions about trends and phenomena will be reached if the code is used in similar applications.« less

Damping of collective modes and the echo effect in a confined Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Kuklov, A. B.; Chencinski, N.

1998-04-01

We discuss the reversible nature of two mechanisms of the apparent damping of the collective modes of a confined Bose-Einstein condensate -- Landau Damping (LD) and a dephasing caused by thermal fluctuations of the normal component. The reversibility of the damping in both cases can be tested by the echo effect, when two consecutive external pulses modulate the potential trapping the condensate and induce a third pulse -- the echo -- at the time approximately equal to twice the time interval between the first two pulses. This effect is similar to the phonon echo in powders (Koji Kajimura in Physical Acoustics), ed. W.P. Mason, V.XVI, Academic Press, NY, Toronto 1982.. Parameters of the echo for the isotropic condensate are calculated analytically in the adiabatic approximation for the case of the small external pulses. Numerical simulations for the arbitrary pulses are also presented. The echo in an anisotropic condensate, where the adaibatic approximation is not valid because of the LD, is described in terms of the model of a single oscillator interacting with a quasi-continuum of modes which constitutes the normal component. In both cases in the weak echo limit the echo amplitude turns out to be proportional to the amplitudes of the external pulses. We suggest to test these predictions experimentally.

Contamination Effects on EUV Optics

NASA Technical Reports Server (NTRS)

Tveekrem, J.

1999-01-01

During ground-based assembly and upon exposure to the space environment, optical surfaces accumulate both particles and molecular condensibles, inevitably resulting in degradation of optical instrument performance. Currently, this performance degradation (and the resulting end-of-life instrument performance) cannot be predicted with sufficient accuracy using existing software tools. Optical design codes exist to calculate instrument performance, but these codes generally assume uncontaminated optical surfaces. Contamination models exist which predict approximate end-of-life contamination levels, but the optical effects of these contamination levels can not be quantified without detailed information about the optical constants and scattering properties of the contaminant. The problem is particularly pronounced in the extreme ultraviolet (EUV, 300-1,200 A) and far (FUV, 1,200-2,000 A) regimes due to a lack of data and a lack of knowledge of the detailed physical and chemical processes involved. Yet it is in precisely these wavelength regimes that accurate predictions are most important, because EUV/FUV instruments are extremely sensitive to contamination.

Diurnal variations in optical depth at Mars

NASA Technical Reports Server (NTRS)

Colburn, D. S.; Pollack, J. B.; Haberle, R. M.

1989-01-01

Viking lander camera images of the Sun were used to compute atmospheric optical depth at two sites over a period of 1 to 1/3 martian years. The complete set of 1044 optical depth determinations is presented in graphical and tabular form. Error estimates are presented in detail. Otpical depths in the morning (AM) are generally larger than in the afternoon (PM). The AM-PM differences are ascribed to condensation of water vapor into atmospheric ice aerosols at night and their evaporation in midday. A smoothed time series of these differences shows several seasonal peaks. These are simulated using a one-dimensional radiative convective model which predicts martial atmospheric temperature profiles. A calculation combinig these profiles with water vapor measurements from the Mars Atmospheric Water Detector is used to predict when the diurnal variations of water condensation should occur. The model reproduces a majority of the observed peaks and shows the factors influencing the process. Diurnal variation of condensation is shown to peak when the latitude and season combine to warm the atmosphere to the optimum temperature, cool enough to condense vapor at night and warm enough to cause evaporation at midday.

Constant-pressure nested sampling with atomistic dynamics

NASA Astrophysics Data System (ADS)

Baldock, Robert J. N.; Bernstein, Noam; Salerno, K. Michael; Pártay, Lívia B.; Csányi, Gábor

2017-10-01

The nested sampling algorithm has been shown to be a general method for calculating the pressure-temperature-composition phase diagrams of materials. While the previous implementation used single-particle Monte Carlo moves, these are inefficient for condensed systems with general interactions where single-particle moves cannot be evaluated faster than the energy of the whole system. Here we enhance the method by using all-particle moves: either Galilean Monte Carlo or the total enthalpy Hamiltonian Monte Carlo algorithm, introduced in this paper. We show that these algorithms enable the determination of phase transition temperatures with equivalent accuracy to the previous method at 1 /N of the cost for an N -particle system with general interactions, or at equal cost when single-particle moves can be done in 1 /N of the cost of a full N -particle energy evaluation. We demonstrate this speed-up for the freezing and condensation transitions of the Lennard-Jones system and show the utility of the algorithms by calculating the order-disorder phase transition of a binary Lennard-Jones model alloy, the eutectic of copper-gold, the density anomaly of water, and the condensation and solidification of bead-spring polymers. The nested sampling method with all three algorithms is implemented in the pymatnest software.

The contribution of transient counterion imbalances to DNA bending fluctuations.

PubMed

Manning, Gerald S

2006-05-01

A two-sided model for DNA is employed to analyze fluctuations of the spatial distribution of condensed counterions and the effect of these fluctuations on transient bending. We analyze two classes of fluctuations. In the first, the number of condensed counterions on one side of the DNA remains at its average value, while on the other side, counterions are lost to bulk solution or gained from it. The second class of fluctuations is characterized by movement of some counterions from one side of the DNA to the other. The root-mean-square fluctuation for each class is calculated from counterion condensation theory. The amplitude of the root-mean-square fluctuation depends on the ionic strength as well as the length of the segment considered and is of the order 5-10%. Both classes of fluctuation result in transient bends toward the side of greater counterion density. The bending amplitudes are approximately 15% of the total root-mean-square bends associated with the persistence length of DNA. We are thus led to suggest that asymmetric fluctuations of counterion density contribute modestly but significantly toward the aggregate of thermalized solvent fluctuations that cause bending deformations of DNA free in solution. The calculations support the idea that counterions may exert some modulating influence on the fine structure of DNA.

Hybrid method for determining the parameters of condenser microphones from measured membrane velocities and numerical calculations.

PubMed

Barrera-Figueroa, Salvador; Rasmussen, Knud; Jacobsen, Finn

2009-10-01

Typically, numerical calculations of the pressure, free-field, and random-incidence response of a condenser microphone are carried out on the basis of an assumed displacement distribution of the diaphragm of the microphone; the conventional assumption is that the displacement follows a Bessel function. This assumption is probably valid at frequencies below the resonance frequency. However, at higher frequencies the movement of the membrane is heavily coupled with the damping of the air film between membrane and backplate and with resonances in the back chamber of the microphone. A solution to this problem is to measure the velocity distribution of the membrane by means of a non-contact method, such as laser vibrometry. The measured velocity distribution can be used together with a numerical formulation such as the boundary element method for estimating the microphone response and other parameters, e.g., the acoustic center. In this work, such a hybrid method is presented and examined. The velocity distributions of a number of condenser microphones have been determined using a laser vibrometer, and these measured velocity distributions have been used for estimating microphone responses and other parameters. The agreement with experimental data is generally good. The method can be used as an alternative for validating the parameters of the microphones determined by classical calibration techniques.

Design and optimization of integrated gas/condensate plants

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

Root, C.R.; Wilson, J.L.

1995-11-01

An optimized design is demonstrated for combining gas processing and condensate stabilization plants into a single integrated process facility. This integrated design economically provides improved condensate recovery versus use of a simple stabilizer design. A selection matrix showing likely application of this integrated process is presented for use on future designs. Several methods for developing the fluid characterization and for using a process simulator to predict future design compositions are described, which could be useful in other designs. Optimization of flowsheet equipment choices and of design operating pressures and temperatures is demonstrated including the effect of both continuous and discretemore » process equipment size changes. Several similar designs using a turboexpander to provide refrigeration for liquids recovery and stabilizer reflux are described. Operating overthrust and from the P/15-D platform in the Dutch sector of the North Sea has proven these integrated designs are effective. Concerns do remain around operation near or above the critical pressure that should be addressed in future work including providing conservative separator designs, providing sufficient process design safety margin to meet dew point specifications, selecting the most conservative design values of predicted gas dew point and equipment size calculated with different Equations-of-State, and possibly improving the accuracy of PVT calculations in the near critical area.« less

Simulation of adsorber tube diameter's effect on new design silica gel-water adsorption chiller

NASA Astrophysics Data System (ADS)

Nasruddin, Taufan, A.; Manga, A.; Budiman, D.

2017-03-01

A new design of silica gel-water adsorption chiller is proposed. The design configuration is composed of two sorption chambers with compact fin tube heat exchangers as adsorber, condenser, and evaporator. Heat and mass recovery were adopted in order to increase the cooling capacity. Numerical modelling and calculation were used to show the performance of the chiller with different adsorber tube diameter. Under typical condition for hot water inlet/cooling water inlet/chilled water outlet temperatures are 90/30/7°C, respectively, the simulation results showed the best average value of COP, SCP, and cooling power are 0.19, 15.88 W/kg and 279.89 W using 3/8 inch tube.

TREATMENT OF AMMONIA PLANT PROCESS CONDENSATE EFFLUENT

EPA Science Inventory

The report gives results of an examination of contaminant content and selected treatment techniques for process condensate from seven different ammonia plants. Field tests were performed and data collected on an in-plant steam stripping column with vapor injection into the reform...

Testing of information condensation in a model reverberating spiking neural network.

PubMed

Vidybida, Alexander

2011-06-01

Information about external world is delivered to the brain in the form of structured in time spike trains. During further processing in higher areas, information is subjected to a certain condensation process, which results in formation of abstract conceptual images of external world, apparently, represented as certain uniform spiking activity partially independent on the input spike trains details. Possible physical mechanism of condensation at the level of individual neuron was discussed recently. In a reverberating spiking neural network, due to this mechanism the dynamics should settle down to the same uniform/ periodic activity in response to a set of various inputs. Since the same periodic activity may correspond to different input spike trains, we interpret this as possible candidate for information condensation mechanism in a network. Our purpose is to test this possibility in a network model consisting of five fully connected neurons, particularly, the influence of geometric size of the network, on its ability to condense information. Dynamics of 20 spiking neural networks of different geometric sizes are modelled by means of computer simulation. Each network was propelled into reverberating dynamics by applying various initial input spike trains. We run the dynamics until it becomes periodic. The Shannon's formula is used to calculate the amount of information in any input spike train and in any periodic state found. As a result, we obtain explicit estimate of the degree of information condensation in the networks, and conclude that it depends strongly on the net's geometric size.

Isolation and purification of condensed tannins from flamboyant tree and their antioxidant and antityrosinase activities.

PubMed

Feng, Hui-Ling; Tian, Ling; Chai, Wei-Ming; Chen, Xiao-Xin; Shi, Yan; Gao, Yu-Sen; Yan, Chong-Ling; Chen, Qing-Xi

2014-05-01

Flamboyant tree, a kind of medicinal plant, was studied as a source of condensed tannins. The antioxidant activities of the condensed tannins from the leaf, fruit, and stem bark of flamboyant tree were screened by ABTS radical and hydroxyl radical scavenging activity methods. The results indicated that these compounds possessed potent antioxidant activity. Their structures were then characterized by high-performance liquid chromatography-electrospray ionization mass spectrometry (HPLC-ESI-MS) after thiolytic degradation. The results showed that the leaf condensed tannins were composed of afzelechin/epiafzelechin, catechin/epicatechin, and gallocatechin/epigallocatechin, while the fruit and stem bark condensed tannins had afzelechin/epiafzelechin and catechin/epicatechin. In addition, the condensed tannins were evaluated for their antityrosinase ability. They were found to have significant antityrosinase activity. The IC50 values were 35 ± 2.0 and 40 ± 0.5 μg/ml for the condensed tannins of fruit and stem bark, respectively. Further, fluorescence quenching and copper interacting techniques were utilized to unravel the molecular mechanisms of the inhibition. The results showed that the hydroxyl group of the condensed tannins could chelate the dicopper center of the enzyme and interact with tryptophan residues. Our studies revealed that condensed tannins might be suitable for use in food, agriculture, cosmetic, nutraceutical, and pharmaceutical applications.

The chiral quark condensate and pion decay constant in nuclear matter at next-to-leading order

NASA Astrophysics Data System (ADS)

Lacour, A.; Oller, J. A.; Meißner, U.-G.

2010-12-01

Making use of the recently developed chiral power counting for the physics of nuclear matter (Oller et al 2010 J. Phys. G: Nucl. Part. Phys. 37 015106, Lacour et al Ann. Phys. at press), we evaluate the in-medium chiral quark condensate up to next-to-leading order for both symmetric nuclear matter and neutron matter. Our calculation includes the full in-medium iteration of the leading order local and one-pion exchange nucleon-nucleon interactions. Interestingly, we find a cancellation between the contributions stemming from the quark mass dependence of the nucleon mass appearing in the in-medium nucleon-nucleon interactions. Only the contributions originating from the explicit quark mass dependence of the pion mass survive. This cancellation is the reason of previous observations concerning the dominant role of the long-range pion contributions and the suppression of short-range nucleon-nucleon interactions. We find that the linear density contribution to the in-medium chiral quark condensate is only slightly modified for pure neutron matter by the nucleon-nucleon interactions. For symmetric nuclear matter, the in-medium corrections are larger, although smaller compared to other approaches due to the full iteration of the lowest order nucleon-nucleon tree-level amplitudes. Our calculation satisfies the Hellmann-Feynman theorem to the order worked out. Also we address the problem of calculating the leading in-medium corrections to the pion decay constant. We find that there are no extra in-medium corrections that violate the Gell-Mann-Oakes-Renner relation up to next-to-leading order.

Unraveling the role of water in the stereoselective step of aqueous proline-catalyzed aldol reactions.

PubMed

Ribas-Arino, Jordi; Carvajal, Maria Angels; Chaumont, Alain; Masia, Marco

2012-12-03

A multiscale computational study was performed with the aim of tracing the source of stereoselectivity and disclosing the role of water in the stereoselective step of propionaldehyde aldol self-condensation catalyzed by proline amide in water, a reaction that serves as a model for aqueous organocatalytic aldol condensations. Solvent mixing and hydration behavior were assessed by classical molecular dynamics simulations, which show that the reaction between propanal and the corresponding enamine takes place in a fully hydrated environment. First-principles molecular dynamics simulations were used to study the free-energy profile of four possible reaction paths, each of which yields a different stereoisomer, and high-level static first-principles calculations were employed to characterize the transition states for microsolvated species. The first solvation shell of the oxygen atom of the electrophilic aldehyde at the transition states contains two water molecules, each of which donates one hydrogen bond to the nascent alkoxide and thereby largely stabilizes its excess electron density. The stereoselectivity originates in an extra hydrogen bond donated by the amido group of proline amide in two reaction paths. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Heat Rejection from a Variable Conductance Heat Pipe Radiator Panel

NASA Technical Reports Server (NTRS)

Jaworske, D. A.; Gibson, M. A.; Hervol, D. S.

2012-01-01

A titanium-water heat pipe radiator having an innovative proprietary evaporator configuration was evaluated in a large vacuum chamber equipped with liquid nitrogen cooled cold walls. The radiator was manufactured by Advanced Cooling Technologies, Inc. (ACT), Lancaster, PA, and delivered as part of a Small Business Innovative Research effort. The radiator panel consisted of five titanium-water heat pipes operating as thermosyphons, sandwiched between two polymer matrix composite face sheets. The five variable conductance heat pipes were purposely charged with a small amount of non-condensable gas to control heat flow through the condenser. Heat rejection was evaluated over a wide range of inlet water temperature and flow conditions, and heat rejection was calculated in real-time utilizing a data acquisition system programmed with the Stefan-Boltzmann equation. Thermography through an infra-red transparent window identified heat flow across the panel. Under nominal operation, a maximum heat rejection value of over 2200 Watts was identified. The thermal vacuum evaluation of heat rejection provided critical information on understanding the radiator s performance, and in steady state and transient scenarios provided useful information for validating current thermal models in support of the Fission Power Systems Project.

Experimental Investigation of Flow Condensation in Microgravity

NASA Technical Reports Server (NTRS)

Lee, Hyoungsoon; Park, Ilchung; Konishi, Christopher; Mudawar, Issam; May, Rochelle I.; Juergens, Jeffery R.; Wagner, James D.; Hall, Nancy R.; Nahra, Henry K.; Hasan, Mohammed M.;

More on the tensor response of the QCD vacuum to an external magnetic field

NASA Astrophysics Data System (ADS)

Gorsky, A.; Kopnin, P. N.; Krikun, A.; Vainshtein, A.

2012-04-01

In this paper we discuss a few issues concerning the magnetic susceptibility of the quark condensate and the Son-Yamamoto anomaly matching equation. It is shown that the Son-Yamamoto relation in the IR implies a nontrivial interplay between the kinetic and Wess-Zumino-Witten terms in the chiral Lagrangian. It is also demonstrated that in a holographic framework an external magnetic field triggers mixing between scalar and tensor fields. Accounting for this, one may calculate the magnetic susceptibility of the quark condensate to all orders in the magnetic field.

Partitioning of rare earth elements between hibonite and melt and implications for nebular condensation of the rare earth elements

NASA Technical Reports Server (NTRS)

Drake, Michael J.; Boynton, William V.

1988-01-01

The effect of oxygen fugacity on the partitioning of REEs between hibonite and silicate melt is investigated in hibonite-growth experiments at 1470 C. The experimental procedures and apparatus are described, and the results are presented in extensive tables and graphs and characterized in detail. The absolute activity coefficients in hibonite are estimated as 330 for La, 1200 for Eu(3+), and 24,000 for Yb. It is inferred that ideal solution behavior cannot be assumed when calculating REE condensation temperatures for (Ca, Al)-rich inclusions in carbonaceous chondrites.

Kinetic synergistic transitions in the Ostwald ripening processes

NASA Astrophysics Data System (ADS)

Sachkov, I. N.; Turygina, V. F.; Dolganov, A. N.

2018-01-01

There is proposed approach to mathematical description of the kinetic transitions in Ostwald ripening processes of volatile substance in nonuniformly heated porous materials. It is based upon the finite element method. There are implemented computer software. The main feature of the software is to calculate evaporation and condensation fluxes on the walls of a nonuniformly heated cylindrical capillary. Kinetic transitions are detected for three modes of volatile substances migration which are different by condensation zones location. There are controlling dimensionless parameters of the kinetic transition which are revealed during research. There is phase diagram of the Ostwald ripening process modes realization.

The NuRD nucleosome remodelling complex and NHK-1 kinase are required for chromosome condensation in oocytes.

PubMed

Nikalayevich, Elvira; Ohkura, Hiroyuki

2015-02-01

Chromosome condensation during cell division is one of the most dramatic events in the cell cycle. Condensin and topoisomerase II are the most studied factors in chromosome condensation. However, their inactivation leads to only mild defects and little is known about the roles of other factors. Here, we took advantage of Drosophilaoocytes to elucidate the roles of potential condensation factors by performing RNA interference (RNAi). Consistent with previous studies, depletion of condensin I subunits or topoisomerase II in oocytes only mildly affected chromosome condensation. In contrast, we found severe undercondensation of chromosomes after depletion of the Mi-2-containing NuRD nucleosome remodelling complex or the protein kinase NHK-1 (also known as Ballchen in Drosophila). The further phenotypic analysis suggests that Mi-2 and NHK-1 are involved in different pathways of chromosome condensation. We show that the main role of NHK-1 in chromosome condensation is to phosphorylate Barrier-to-autointegration factor (BAF) and suppress its activity in linking chromosomes to nuclear envelope proteins. We further show that NHK-1 is important for chromosome condensation during mitosis as well as in oocytes.

The NuRD nucleosome remodelling complex and NHK-1 kinase are required for chromosome condensation in oocytes

PubMed Central

Nikalayevich, Elvira; Ohkura, Hiroyuki

2015-01-01

ABSTRACT Chromosome condensation during cell division is one of the most dramatic events in the cell cycle. Condensin and topoisomerase II are the most studied factors in chromosome condensation. However, their inactivation leads to only mild defects and little is known about the roles of other factors. Here, we took advantage of Drosophila oocytes to elucidate the roles of potential condensation factors by performing RNA interference (RNAi). Consistent with previous studies, depletion of condensin I subunits or topoisomerase II in oocytes only mildly affected chromosome condensation. In contrast, we found severe undercondensation of chromosomes after depletion of the Mi-2-containing NuRD nucleosome remodelling complex or the protein kinase NHK-1 (also known as Ballchen in Drosophila). The further phenotypic analysis suggests that Mi-2 and NHK-1 are involved in different pathways of chromosome condensation. We show that the main role of NHK-1 in chromosome condensation is to phosphorylate Barrier-to-autointegration factor (BAF) and suppress its activity in linking chromosomes to nuclear envelope proteins. We further show that NHK-1 is important for chromosome condensation during mitosis as well as in oocytes. PMID:25501812

A computer program for condensing heat exchanger performance in the presence of noncondensable gases

NASA Technical Reports Server (NTRS)

Yendler, Boris

1994-01-01

A computer model has been developed which evaluates the performance of a heat exchanger. This model is general enough to be used to evaluate many heat exchanger geometries and a number of different operating conditions. The film approach is used to describe condensation in the presence of noncondensables. The model is also easily expanded to include other effects like fog formation or suction.

Distillation and condensation of LiCl-KCl eutectic salts for a separation of pure salts from salt wastes from an electrorefining process

NASA Astrophysics Data System (ADS)

Eun, Hee Chul; Yang, Hee Chul; Lee, Han Soo; Kim, In Tae

2009-12-01

Salt separation and recovery from the salt wastes generated from a pyrochemical process is necessary to minimize the high-level waste volumes and to stabilize a final waste form. In this study, the thermal behavior of the LiCl-KCl eutectic salts containing rare earth oxychlorides or oxides was investigated during a vacuum distillation and condensation process. LiCl was more easily vaporized than the other salts (KCl and LiCl-KCl eutectic salt). Vaporization characteristics of LiCl-KCl eutectic salts were similar to that of KCl. The temperature to obtain the vaporization flux (0.1 g min -1 cm -2) was decreased by much as 150 °C by a reduction of the ambient pressure from 5 Torr to 0.5 Torr. Condensation behavior of the salt vapors was different with the ambient pressure. Almost all of the salt vapors were condensed and were formed into salt lumps during a salt distillation at the ambient pressure of 0.5 Torr and they were collected in the condensed salt storage. However, fine salt particles were formed when the salt distillation was performed at 10 Torr and it is difficult for them to be recovered. Therefore, it is thought that a salt vacuum distillation and condensation should be performed to recover almost all of the vaporized salts at a pressure below 0.5 Torr.

Testing the performance of superhydrophobic aluminum surfaces.

PubMed

Ruiz-Cabello, F Javier Montes; Ibáñez-Ibáñez, Pablo F; Gómez-Lopera, J Francisco; Martínez-Aroza, José; Cabrerizo-Vílchez, Miguel; Rodríguez-Valverde, Miguel A

2017-12-15

The analysis of wetting properties of superhydrophobic surfaces may be a difficult task due to the restless behavior of drops on this type of surfaces and the limitations of goniometry for high contact angles. A method to validate the performance of superhydrophobic surfaces, rather than standard goniometry, is required. In this work, we used bouncing drop dynamics as a useful tool to predict the water repellency of different superhydrophobic surfaces. From bouncing drop experiments conducted over a wide range of superhydrophobic surfaces, we found that those surfaces with a proper roughness degree and homogeneous chemical composition showed higher water-repellency. We also conducted a drop condensation study at saturating conditions aimed to determine whether there is direct correlation between water repellency and condensation delay. We found that the drop condensation process is strongly related to the surface topography, as well as the intrinsic wettability. The condensation is promoted on rough surfaces but it is delayed on intrinsically hydrophobic surfaces. However, the differences found in condensation delay between the superhydrophobic surfaces explored in this study cannot be justified by their chemical homogeneity nor their efficiency as water repellent surfaces, separately. Copyright © 2017 Elsevier Inc. All rights reserved.

The performance of a mobile air conditioning system with a water cooled condenser

NASA Astrophysics Data System (ADS)

Di Battista, Davide; Cipollone, Roberto

2015-11-01

Vehicle technological evolution lived, in recent years, a strong acceleration due to the increased awareness of environmental issues related to pollutants and climate altering emissions. This resulted in a series of international regulations on automotive sector which put technical challenges that must consider the engine and the vehicle as a global system, in order to improve the overall efficiency of the system. The air conditioning system of the cabin, for instance, is the one of the most important auxiliaries in a vehicle and requires significant powers. Its performances can be significantly improved if it is integrated within the engine cooling circuit, eventually modified with more temperature levels. In this paper, the Authors present a mathematical model of the A/C system, starting from its single components: compressors, condenser, flush valve and evaporator and a comparison between different refrigerant fluid. In particular, it is introduced the opportunity to have an A/C condenser cooled by a water circuit instead of the external air linked to the vehicle speed, as in the actual traditional configuration. The A/C condenser, in fact, could be housed on a low temperature water circuit, reducing the condensing temperature of the refrigeration cycle with a considerable efficiency increase.

Triple-effect absorption chiller cycle: A step beyond double-effect cycles

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

DeVault, R.C.

1990-01-01

Many advanced'' absorption cycles have been proposed during the current century. Of the hundreds of absorption cycles which have been patented throughout the world, all commercially manufactured products for air conditioning buildings have been variations of just two basic absorption cycles: single-effect and condenser-coupled double-effect cycles. The relatively low cooling coefficients of performance (COPs) inherent in single-effect and double-effect cycles limits the economic applicability of absorption air conditioners (chillers) in the United States. A triple-effect absorption chiller cycle is discussed. This cycle uses two condensers and two absorbers to achieve the triple effect.'' Depending on the absorption fluids selected, thismore » triple-effect cycle is predicted to improve cooling COPs by 18% to 60% compared with the equivalent double-effect cycle. This performance improvement is obtained without increasing the total amount of heat-transfer surface area needed for the heat exchangers. A comparison between the calculated performances of a double-effect cycle and a triple-effect cycle (both using ammonia-water (NH{sub 3}/H{sub 2}O) as the absorption fluid pair) is presented. The triple-effect cycle is predicted to have an 18% higher cooling COP (1.41 compared with 1.2 for a double-effect), lower pressure (47.70 atm (701 psi) instead of 68.05 atm (1000 psi)), significantly reduced pumping power (less than one-half that of the double-effect cycle), and potentially lower construction cost (33% less total heat exchange needed). Practical implications for this triple-effect cycle are discussed. 16 refs., 5 figs., 1 tab.« less

Building America Case Study: Compact Buried Ducts in a Hot-Humid Climate House, Lady's Island, South Carolina

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

2016-02-01

A system of compact, buried ducts provides a high-performance and cost-effective solution for delivering conditioned air throughout the building. This report outlines research activities that are expected to facilitate adoption of compact buried duct systems by builders. The results of this research would be scalable to many new house designs in most climates and markets, leading to wider industry acceptance and building code and energy program approval. The primary research question with buried ducts is potential condensation at the outer jacket of the duct insulation in humid climates during the cooling season. Current best practices for buried ducts rely onmore » encapsulating the insulated ducts with closed-cell spray polyurethane foam insulation to control condensation and improve air sealing. The encapsulated buried duct concept has been analyzed and shown to be effective in hot-humid climates. The purpose of this project is to develop an alternative buried duct system that performs effectively as ducts in conditioned space - durable, energy efficient, and cost-effective - in a hot-humid climate (IECC warm-humid climate zone 3A) with three goals that distinguish this project: 1) Evaluation of design criteria for buried ducts that use common materials and do not rely on encapsulation using spray foam or disrupt traditional work sequences, 2) Establishing design criteria for compact ducts and incorporate those with the buried duct criteria to further reduce energy losses and control installed costs, and 3) Developing HVAC design guidance for performing accurate heating and cooling load calculations for compact buried ducts.« less

Compact Buried Ducts in a Hot-Humid Climate House

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

Mallay, Dave

2016-01-07

"9A system of compact, buried ducts provides a high-performance and cost-effective solution for delivering conditioned air throughout the building. This report outlines research activities that are expected to facilitate adoption of compact buried duct systems by builders. The results of this research would be scalable to many new house designs in most climates and markets, leading to wider industry acceptance and building code and energy program approval. The primary research question with buried ducts is potential condensation at the outer jacket of the duct insulation in humid climates during the cooling season. Current best practices for buried ducts rely onmore » encapsulating the insulated ducts with closed-cell spray polyurethane foam insulation to control condensation and improve air sealing. The encapsulated buried duct concept has been analyzed and shown to be effective in hot-humid climates. The purpose of this project is to develop an alternative buried duct system that performs effectively as ducts in conditioned space - durable, energy efficient, and cost-effective - in a hot-humid climate (IECC warm-humid climate zone 3A) with three goals that distinguish this project: 1) Evaluation of design criteria for buried ducts that use common materials and do not rely on encapsulation using spray foam or disrupt traditional work sequences; 2) Establishing design criteria for compact ducts and incorporate those with the buried duct criteria to further reduce energy losses and control installed costs; 3) Developing HVAC design guidance for performing accurate heating and cooling load calculations for compact buried ducts.« less

Jumping-Droplet-Enhanced Condensation on Scalable Superhydrophobic Nanostructured Surfaces

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

Miljkovic, N; Enright, R; Nam, Y

When droplets coalesce on a superhydrophobic nanostructured surface, the resulting droplet can jump from the surface due to the release of excess surface energy. If designed properly, these superhydrophobic nanostructured surfaces can not only allow for easy droplet removal at micrometric length scales during condensation but also promise to enhance heat transfer performance. However, the rationale for the design of an ideal nanostructured surface as well as heat transfer experiments demonstrating the advantage of this jumping behavior are lacking. Here, we show that silanized copper oxide surfaces created via a simple fabrication method can achieve highly efficient jumping-droplet condensation heatmore » transfer. We experimentally demonstrated a 25% higher overall heat flux and 30% higher condensation heat transfer coefficient compared to state-of-the-art hydrophobic condensing surfaces at low supersaturations (<1.12). This work not only shows significant condensation heat transfer enhancement but also promises a low cost and scalable approach to increase efficiency for applications such as atmospheric water harvesting and dehumidification. Furthermore, the results offer insights and an avenue to achieve high flux superhydrophobic condensation.« less

Preliminary analysis of loss-of-coolant accident in Fukushima nuclear accident

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

Su'ud, Zaki; Anshari, Rio

Loss-of-Coolant Accident (LOCA) in Boiling Water Reactor (BWR) especially on Fukushima Nuclear Accident will be discussed in this paper. The Tohoku earthquake triggered the shutdown of nuclear power reactors at Fukushima Nuclear Power station. Though shutdown process has been completely performed, cooling process, at much smaller level than in normal operation, is needed to remove decay heat from the reactor core until the reactor reach cold-shutdown condition. If LOCA happen at this condition, it will cause the increase of reactor fuel and other core temperatures and can lead to reactor core meltdown and exposure of radioactive material to the environmentmore » such as in the Fukushima Dai Ichi nuclear accident case. In this study numerical simulation has been performed to calculate pressure composition, water level and temperature distribution on reactor during this accident. There are two coolant regulating system that operational on reactor unit 1 at this accident, Isolation Condensers (IC) system and Safety Relief Valves (SRV) system. Average mass flow of steam to the IC system in this event is 10 kg/s and could keep reactor core from uncovered about 3,2 hours and fully uncovered in 4,7 hours later. There are two coolant regulating system at operational on reactor unit 2, Reactor Core Isolation Condenser (RCIC) System and Safety Relief Valves (SRV). Average mass flow of coolant that correspond this event is 20 kg/s and could keep reactor core from uncovered about 73 hours and fully uncovered in 75 hours later. There are three coolant regulating system at operational on reactor unit 3, Reactor Core Isolation Condenser (RCIC) system, High Pressure Coolant Injection (HPCI) system and Safety Relief Valves (SRV). Average mass flow of water that correspond this event is 15 kg/s and could keep reactor core from uncovered about 37 hours and fully uncovered in 40 hours later.« less

Preliminary analysis of loss-of-coolant accident in Fukushima nuclear accident

NASA Astrophysics Data System (ADS)

Su'ud, Zaki; Anshari, Rio

2012-06-01

Loss-of-Coolant Accident (LOCA) in Boiling Water Reactor (BWR) especially on Fukushima Nuclear Accident will be discussed in this paper. The Tohoku earthquake triggered the shutdown of nuclear power reactors at Fukushima Nuclear Power station. Though shutdown process has been completely performed, cooling process, at much smaller level than in normal operation, is needed to remove decay heat from the reactor core until the reactor reach cold-shutdown condition. If LOCA happen at this condition, it will cause the increase of reactor fuel and other core temperatures and can lead to reactor core meltdown and exposure of radioactive material to the environment such as in the Fukushima Dai Ichi nuclear accident case. In this study numerical simulation has been performed to calculate pressure composition, water level and temperature distribution on reactor during this accident. There are two coolant regulating system that operational on reactor unit 1 at this accident, Isolation Condensers (IC) system and Safety Relief Valves (SRV) system. Average mass flow of steam to the IC system in this event is 10 kg/s and could keep reactor core from uncovered about 3,2 hours and fully uncovered in 4,7 hours later. There are two coolant regulating system at operational on reactor unit 2, Reactor Core Isolation Condenser (RCIC) System and Safety Relief Valves (SRV). Average mass flow of coolant that correspond this event is 20 kg/s and could keep reactor core from uncovered about 73 hours and fully uncovered in 75 hours later. There are three coolant regulating system at operational on reactor unit 3, Reactor Core Isolation Condenser (RCIC) system, High Pressure Coolant Injection (HPCI) system and Safety Relief Valves (SRV). Average mass flow of water that correspond this event is 15 kg/s and could keep reactor core from uncovered about 37 hours and fully uncovered in 40 hours later.

Computer program for calculation of complex chemical equilibrium compositions and applications. Part 1: Analysis

NASA Technical Reports Server (NTRS)

Gordon, Sanford; Mcbride, Bonnie J.

1994-01-01

This report presents the latest in a number of versions of chemical equilibrium and applications programs developed at the NASA Lewis Research Center over more than 40 years. These programs have changed over the years to include additional features and improved calculation techniques and to take advantage of constantly improving computer capabilities. The minimization-of-free-energy approach to chemical equilibrium calculations has been used in all versions of the program since 1967. The two principal purposes of this report are presented in two parts. The first purpose, which is accomplished here in part 1, is to present in detail a number of topics of general interest in complex equilibrium calculations. These topics include mathematical analyses and techniques for obtaining chemical equilibrium; formulas for obtaining thermodynamic and transport mixture properties and thermodynamic derivatives; criteria for inclusion of condensed phases; calculations at a triple point; inclusion of ionized species; and various applications, such as constant-pressure or constant-volume combustion, rocket performance based on either a finite- or infinite-chamber-area model, shock wave calculations, and Chapman-Jouguet detonations. The second purpose of this report, to facilitate the use of the computer code, is accomplished in part 2, entitled 'Users Manual and Program Description'. Various aspects of the computer code are discussed, and a number of examples are given to illustrate its versatility.

QCD Condensates and Holographic Wilson Loops for Asymptotically AdS Spaces

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

Quevedo, R. Carcasses; Goity, Jose L.; Trinchero, Roberto C.

2014-02-01

The minimization of the Nambu-Goto (NG) action for a surface whose contour defines a circular Wilson loop of radius a placed at a finite value of the coordinate orthogonal to the border is considered. This is done for asymptotically AdS spaces. The condensates of dimension n = 2, 4, 6, 8, and 10 are calculated in terms of the coefficients in the expansion in powers of the radius a of the on-shell subtracted NG action for small a->0. The subtraction employed is such that it presents no conflict with conformal invariance in the AdS case and need not introduce anmore » additional infrared scale for the case of confining geometries. It is shown that the UV value of the gluon condensates is universal in the sense that it only depends on the first coefficients of the difference with the AdS case.« less

Detox{sup SM} wet oxidation system studies for engineering scale up

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

Robertson, D.T.; Moslander, J.E.; Zigmond, J.A.

1995-12-31

Catalyzed wet oxidation utilizing iron(III) has been shown to have promise for treating many hazardous and mixed wastes. The reaction occurs at the surface of contact between an aqueous iron(III) solution and organic material. Studies with liquid- and vapor-phase organic waste surrogates have established reaction kinetics and the limits of reaction rate based on organic concentration and iron(III) diffusion. Continuing engineering studies have concentrated on reaction vessel agitator and solids feed configurations, an improved bench scale reflux condenser and reflux condenser calculations, sparging of organic compounds from the process condensate water, filtration of solids from the process solution, and flammabilitymore » limits for volatile organic compounds in the headspace of the reaction vessel under the reaction conditions. Detailed engineering design and fabrication of a demonstration unit for treatment of mixed waste is in progress.« less

Heat and Mass Transfer in the Over-Shower Zone of a Cooling Tower with Flow Rotation

NASA Astrophysics Data System (ADS)

Kashani, M. M. Hemmasian; Dobrego, K. V.

2013-11-01

The influence of flow rotation in the over-shower zone of a natural draft wet cooling tower (NDCT) on heat and mass transfer in this zone is investigated numerically. The 3D geometry of an actual NDCT and three models of the induced rotation velocity fields are utilized for calculations. Two phases (liquid and gaseous) and three components are taken into consideration. The interphase heat exchange, heat transfer to the walls, condensation-evaporation intensity field, and other parameters are investigated as functions of the induced rotation intensity (the inclination of the velocity vector at the periphery). It is shown that the induced flow rotation intensifies the heat and mass transfer in the over-shower zone of an NDCT. Flow rotation leads to specific redistribution of evaporation-condensation areas in an NDCT and stimulates water condensation near its walls.

Microcanonical fluctuations of the condensate in weakly interacting Bose gases

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

Idziaszek, Zbigniew

2005-05-15

We study fluctuations of the number of Bose condensed atoms in a weakly interacting homogeneous and trapped gases. For a homogeneous system we apply the particle-number-conserving formulation of the Bogoliubov theory and calculate the condensate fluctuations within the canonical and the microcanonical ensembles. We demonstrate that, at least in the low-temperature regime, predictions of the particle-number-conserving and traditional, nonconserving theory are identical, and lead to the anomalous scaling of fluctuations. Furthermore, the microcanonical fluctuations differ from the canonical ones by a quantity which scales normally in the number of particles, thus predictions of both ensembles are equivalent in the thermodynamicmore » limit. We observe a similar behavior for a weakly interacting gas in a harmonic trap. This is in contrast to the trapped, ideal gas, where microcanonical and canonical fluctuations are different in the thermodynamic limit.« less

Partial Insulation of Aerated Concrete Wall in its Thermal Bridge Regions

NASA Astrophysics Data System (ADS)

Li, Baochang; Guo, Lirong; Li, Yubao; Zhang, Tiantian; Tan, Yufei

2018-01-01

As a self-insulating building material which can meet the 65 percent energy-efficiency requirements in cold region of China, aerated concrete blocks often go moldy, frost heaving, or cause plaster layer hollowing at thermal bridge parts in the extremely cold regions due to the restrictions of environmental climate and construction technique. In this paper, partial insulation measures of the thermal-bridge position of these parts of aerated concrete walls are designed to weaken or even eliminate thermal bridge effect and improve the temperature of thermal-bridge position. A heat transfer calculation model for L-shaped wall and T-shaped wall is developed. Based on the simulation result, the influence of the thickness on the temperature field is analyzed. Consequently, the condensation inside self-thermal-insulating wall and frost heaving caused by condensation and low temperature will be reduced, avoiding damage to the wall body from condensation..

Thermodynamic and kinetic theory of nucleation, deliquescence and efflorescence transitions in the ensemble of droplets on soluble particles.

PubMed

Shchekin, Alexander K; Shabaev, Ilya V; Hellmuth, Olaf

2013-02-07

Thermodynamic and kinetic peculiarities of nucleation, deliquescence and efflorescence transitions in the ensemble of droplets formed on soluble condensation nuclei from a solvent vapor have been considered. The interplay of the effects of solubility and the size of condensation nuclei has been analyzed. Activation barriers for the deliquescence and phase transitions and for the reverse efflorescence transition have been determined as functions of the relative humidity of the vapor-gas atmosphere, initial size, and solubility of condensation nuclei. It has been demonstrated that, upon variations in the relative humidity of the atmosphere, the crossover in thermodynamically stable and unstable variables of the droplet state takes place. The physical meaning of stable and unstable variables has been clarified. The kinetic equations for establishing equilibrium and steady distributions of binary droplets have been solved. The specific times for relaxation, deliquescence and efflorescence transitions have been calculated.

Application and Evaluation of an Explicit Prognostic Cloud-Cover Scheme in GRAPES Global Forecast System

NASA Astrophysics Data System (ADS)

Ma, Zhanshan; Liu, Qijun; Zhao, Chuanfeng; Shen, Xueshun; Wang, Yuan; Jiang, Jonathan H.; Li, Zhe; Yung, Yuk

2018-03-01

An explicit prognostic cloud-cover scheme (PROGCS) is implemented into the Global/Regional Assimilation and Prediction System (GRAPES) for global middle-range numerical weather predication system (GRAPES_GFS) to improve the model performance in simulating cloud cover and radiation. Unlike the previous diagnostic cloud-cover scheme (DIAGCS), PROGCS considers the formation and dissipation of cloud cover by physically connecting it to the cumulus convection and large-scale stratiform condensation processes. Our simulation results show that clouds in mid-high latitudes arise mainly from large-scale stratiform condensation processes, while cumulus convection and large-scale condensation processes jointly determine cloud cover in low latitudes. Compared with DIAGCS, PROGCS captures more consistent vertical distributions of cloud cover with the observations from Atmospheric Radiation Measurements (ARM) program at the Southern Great Plains (SGP) site and simulates more realistic diurnal cycle of marine stratocumulus with the ERA-Interim reanalysis data. The low, high, and total cloud covers that are determined via PROGCS appear to be more realistic than those simulated via DIAGCS when both are compared with satellite retrievals though the former maintains slight negative biases. In addition, the simulations of outgoing longwave radiation (OLR) at the top of the atmosphere (TOA) from PROGCS runs have been considerably improved as well, resulting in less biases in radiative heating rates at heights below 850 hPa and above 400 hPa of GRAPES_GFS. Our results indicate that a prognostic method of cloud-cover calculation has significant advantage over the conventional diagnostic one, and it should be adopted in both weather and climate simulation and forecast.

US Air Force 1989 Research Initiation Program. Volume 2.

DTIC Science & Technology

1992-06-25

University of Minnesota-Duluth Specialtv: Inorganic Chemistry Specialty: Mechanics Dr. Satish Chandra Mr. Asad Yousuf Kansas State University Savannah...the Study Van der Waals forces in capillary tubes have previously been calculated by Philip (1977b]. His study was based on the Hamaker theory, which...important in condensed media, are not taken into account by the Hamaker theory. Calculations using on the Hamaker theory are often based on an unrealistic

Electrode performance parameters for a radioisotope-powered AMTEC for space power applications

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

Underwood, M.L.; O'Connor, D.; Williams, R.M.

1992-08-01

The alkali metal thermoelastic converter (AMTEC) is a device for the direct conversion of heat to electricity. Recently a design of an AMTEC using a radioisotope heat source was described, but the optimum condenser temperature was hotter than the temperatures used in the laboratory to develop the electrode performance model. Now laboratory experiments have confirmed the dependence of two model parameters over a broader range of condenser and electrode temperatures for two candidate electrode compositions. One parameter, the electrochemical exchange current density at the reaction interface, is independent of the condenser temperature, and depends only upon the collision rate ofmore » sodium at the reaction zone. The second parameter, a morphological parameter, which measures the mass transport resistance through the electrode, is independent of condenser and electrode temperatures for molybdenum electrodes. For rhodium-tungsten electrodes, however, this parameter increases for decreasing electrode temperature, indicating an activated mass transport mechanism such as surface diffusion. 21 refs.« less

Increased ionization supports growth of aerosols into cloud condensation nuclei.

PubMed

Svensmark, H; Enghoff, M B; Shaviv, N J; Svensmark, J

2017-12-19

Ions produced by cosmic rays have been thought to influence aerosols and clouds. In this study, the effect of ionization on the growth of aerosols into cloud condensation nuclei is investigated theoretically and experimentally. We show that the mass-flux of small ions can constitute an important addition to the growth caused by condensation of neutral molecules. Under atmospheric conditions the growth from ions can constitute several percent of the neutral growth. We performed experimental studies which quantify the effect of ions on the growth of aerosols between nucleation and sizes >20 nm and find good agreement with theory. Ion-induced condensation should be of importance not just in Earth's present day atmosphere for the growth of aerosols into cloud condensation nuclei under pristine marine conditions, but also under elevated atmospheric ionization caused by increased supernova activity.

Condenser design for AMTEC power conversion

NASA Technical Reports Server (NTRS)

Crowley, Christopher J.

1991-01-01

The condenser and the electrodes are the two elements of an alkali metal thermal-to-electric conversion (AMTEC) cell which most greatly affect the energy conversion performance. A condenser is described which accomplishes two critical functions in an AMTEC cell: management of the fluid under microgravity conditions and optimization of conversion efficiency. The first function is achieved via the use of a controlled surface shape, along with drainage grooves and arteries to collect the fluid. Capillary forces manage the fluid in microgravity and dominate hydrostatic effects on the ground so the device is ground-testable. The second function is achieved via a smooth film of highly reflective liquid sodium on the condensing surface, resulting in minimization of parasitic heat losses due to radiation heat transfer. Power conversion efficiencies of 25 percent to 30 percent are estimated with this condenser using present technology for the electrodes.

Preliminary Modelling of the Effect of Impurity in CO2 Streams on the Storage Capacity and the Plume Migration in Pohang Basin, Korea

NASA Astrophysics Data System (ADS)

Park, Yongchan; Choi, Byoungyoung; Shinn, Youngjae

2015-04-01

Captured CO2 streams contain various levels of impurities which vary depending on the combustion technology and CO2 sources such as a power plant and iron and steel production processes. Common impurities or contaminants are non-condensable gases like nitrogen, oxygen and hydrogen, and are also air pollutants like sulphur and nitrogen oxides. Specifically for geological storage, the non-condensable gases in CO2 streams are not favourable because they can decrease density of the injected CO2 stream and can affect buoyancy of the plume. However, separation of these impurities to obtain the CO2 purity higher than 99% would greatly increase the cost of capture. In 2010, the Korean Government announced a national framework to develop CCS, with the aim of developing two large scale integrated CCS projects by 2020. In order to achieve this goal, a small scale injection project into Pohang basin near shoreline has begun which is seeking the connection with a capture project, especially at a steel company. Any onshore sites that are suitable for the geological storage are not identified by this time so we turned to the shallow offshore Pohang basin where is close to a large-scale CO2 source. Currently, detailed site surveys are being undertaken and the collected data were used to establish a geological model of the basin. In this study, we performed preliminary modelling study on the effect of impurities on the geological storage using the geological model. Using a potential compositions of impurities in CO2 streams from the steel company, we firstly calculated density and viscosity of CO2 streams as a function of various pressure and temperature conditions with CMG-WINPROP and then investigated the effect of the non-condensable gases on storage capacity, injectivity and plume migrations with CMG-GEM. Further simulations to evaluate the areal and vertical sweep efficiencies by impurities were perform in a 2D vertical cross section as well as in a 3D simulation grid. Also, pressure increases caused by the impurities and the partitioning between CO2 and other non-condensable gases were explored. In addition, the possibility of using these contaminants as a tracer were examined.

Condensation polyimides

NASA Technical Reports Server (NTRS)

Hergenrother, P. M.

1989-01-01

Polyimides belong to a class of polymers known as polyheterocyclics. Unlike most other high temperature polymers, polyimides can be prepared from a variety of inexpensive monomers by several synthetic routes. The glass transition and crystalline melt temperature, thermooxidative stability, toughness, dielectric constant, coefficient of thermal expansion, chemical stability, mechanical performance, etc. of polyimides can be controlled within certain boundaries. This versatility has permitted the development of various forms of polyimides. These include adhesives, composite matrices, coatings, films, moldings, fibers, foams and membranes. Polyimides are synthesized through both condensation (step-polymerization) and addition (chain growth polymerization) routes. The precursor materials used in addition polyimides or imide oligomers are prepared by condensation method. High molecular weight polyimide made via polycondensation or step-growth polymerization is studied. The various synthetic routes to condensation polyimides, structure/property relationships of condensation polyimides and composite properties of condensation polyimides are all studied. The focus is on the synthesis and chemical structure/property relationships of polyimides with particular emphasis on materials for composite application.

Development of an Exhaled Breath Monitoring System with Semiconductive Gas Sensors, a Gas Condenser Unit, and Gas Chromatograph Columns

PubMed Central

Itoh, Toshio; Miwa, Toshio; Tsuruta, Akihiro; Akamatsu, Takafumi; Izu, Noriya; Shin, Woosuck; Park, Jangchul; Hida, Toyoaki; Eda, Takeshi; Setoguchi, Yasuhiro

2016-01-01

Various volatile organic compounds (VOCs) in breath exhaled by patients with lung cancer, healthy controls, and patients with lung cancer who underwent surgery for resection of cancer were analyzed by gas condenser-equipped gas chromatography-mass spectrometry (GC/MS) for development of an exhaled breath monitoring prototype system involving metal oxide gas sensors, a gas condenser, and gas chromatography columns. The gas condenser-GC/MS analysis identified concentrations of 56 VOCs in the breath exhaled by the test population of 136 volunteers (107 patients with lung cancer and 29 controls), and selected four target VOCs, nonanal, acetoin, acetic acid, and propanoic acid, for use with the condenser, GC, and sensor-type prototype system. The prototype system analyzed exhaled breath samples from 101 volunteers (74 patients with lung cancer and 27 controls). The prototype system exhibited a level of performance similar to that of the gas condenser-GC/MS system for breath analysis. PMID:27834896

A green route to methyl acrylate and acrylic acid by an aldol condensation reaction over H-ZSM-35 zeolite catalysts.

PubMed

Ma, Zhanling; Ma, Xiangang; Liu, Hongchao; He, Yanli; Zhu, Wenliang; Guo, Xinwen; Liu, Zhongmin

2017-08-10

A one-step aldol condensation reaction to produce MA and AA is a green and promising strategy. Here, the aldol condensation reaction was first conducted with DMM and MAc over different types of zeolite catalysts. The H-ZSM-35 zeolite demonstrates excellent catalytic performance with a DMM conversion of 100% and a MA + AA selectivity of up to 86.2% and superior regeneration ability, with great potential for industrial operation.

A bubble column evaporator with basic flat-plate condenser for brackish and seawater desalination.

PubMed

Schmack, Mario; Ho, Goen; Anda, Martin

2016-01-01

This paper describes the development and experimental evaluation of a novel bubble column-based humidification-dehumidification system, for small-scale desalination of saline groundwater or seawater in remote regions. A bubble evaporator prototype was built and matched with a simple flat-plate type condenser for concept assessment. Consistent bubble evaporation rates of between 80 and 88 ml per hour were demonstrated. Particular focus was on the performance of the simple condenser prototype, manufactured from rectangular polyvinylchlorid plastic pipe and copper sheet, a material with a high thermal conductivity that quickly allows for conduction of the heat energy. Under laboratory conditions, a long narrow condenser model of 1500 mm length and 100 mm width achieved condensate recovery rates of around 73%, without the need for external cooling. The condenser prototype was assessed under a range of different physical conditions, that is, external water cooling, partial insulation and aspects of air circulation, via implementing an internal honeycomb screen structure. Estimated by extrapolation, an up-scaled bubble desalination system with a 1 m2 condenser may produce around 19 l of distilled water per day. Sodium chloride salt removal was found to be highly effective with condensate salt concentrations between 70 and 135 µS. Based on findings and with the intent to reduce material cost of the system, a shorter condenser length of 750 mm for the non-cooled (passive) condenser and of 500 mm for the water-cooled condenser was considered to be equally efficient as the experimentally evaluated prototype of 1500 mm length.

Development and Capabilities of ISS Flow Boiling and Condensation Experiment

NASA Technical Reports Server (NTRS)

Nahra, Henry; Hasan, Mohammad; Balasubramaniam, R.; Patania, Michelle; Hall, Nancy; Wagner, James; Mackey, Jeffrey; Frankenfield, Bruce; Hauser, Daniel; Harpster, George;

Condensed Tannins from Ficus virens as Tyrosinase Inhibitors: Structure, Inhibitory Activity and Molecular Mechanism

PubMed Central

Chai, Wei-Ming; Feng, Hui-Ling; Zhuang, Jiang-Xing; Chen, Qing-Xi

2014-01-01

Condensed tannins from Ficus virens leaves, fruit, and stem bark were isolated and their structures characterized by 13C nuclear magnetic resonance spectrometry, high performance liquid chromatography electrospray ionization mass spectrometry, and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. The results showed that the leaves, fruit, and stem bark condensed tannins were complex mixtures of homo- and heteropolymers of B-type procyanidins and prodelphinidins with degrees of polymerization up to hexamer, dodecamer, and pentadecamer, respectively. Antityrosinase activities of the condensed tannins were studied. The results indicated that the condensed tannins were potent tyrosinase inhibitors. The concentrations for the leaves, fruit, and stem bark condensed tannins leading to 50% enzyme activity were determined to be 131.67, 99.89, and 106.22 μg/ml on monophenolase activity, and 128.42, 43.07, and 74.27 μg/ml on diphenolase activity. The inhibition mechanism, type, and constants of the condensed tannins on the diphenolase activity were further investigated. The results indicated that the condensed tannins were reversible and mixed type inhibitors. Fluorescence quenching, copper interacting, and molecular docking techniques were utilized to unravel the molecular mechanisms of the inhibition. The results showed that the hydroxyl group on the B ring of the condensed tannins could chelate the dicopper irons of the enzyme. Moreover, the condensed tannins could reduce the enzyme product o-quinones into colourless compounds. These results would contribute to the development and design of antityrosinase agents. PMID:24637701

Continuous Droplet Removal upon Dropwise Condensation of Humid Air on a Hydrophobic Micropatterned Surface

PubMed Central

2015-01-01

Combination of two physical phenomena, capillary pressure gradient and wettability gradient, allows a simple two-step fabrication process that yields a reliable hydrophobic self-cleaning condenser surface. The surface is fabricated with specific microscopic topography and further treatment with a chemically inert low-surface-energy material. This process does not require growth of nanofeatures (nanotubes) or hydrophilic–hydrophobic patterning of the surface. Trapezoidal geometry of the microfeatures facilitates droplet transfer from the Wenzel to the Cassie state and reduces droplet critical diameter. The geometry of the micropatterns enhances local coalescence and directional movement for droplets with diameter much smaller than the radial length of the micropatterns. The hydrophobic self-cleaning micropatterned condenser surface prevents liquid film formation and promotes continuous dropwise condensation cycle. Upon dropwise condensation, droplets follow a designed wettability gradient created with micropatterns from the most hydrophobic to the least hydrophobic end of the surface. The surface has higher condensation efficiency, due to its directional self-cleaning property, than a plain hydrophobic surface. We explain the self-actuated droplet collection mechanism on the condenser surface and demonstrate experimentally the creation of an effective wettability gradient over a 6 mm radial distance. In spite of its fabrication simplicity, the fabricated surface demonstrates self-cleaning property, enhanced condensation performance, and reliability over time. Our work enables creation of a hydrophobic condenser surface with the directional self-cleaning property that can be used for collection of biological (chemical, environmental) aerosol samples or for condensation enhancement. PMID:25073014

Continuous droplet removal upon dropwise condensation of humid air on a hydrophobic micropatterned surface.

PubMed

Zamuruyev, Konstantin O; Bardaweel, Hamzeh K; Carron, Christopher J; Kenyon, Nicholas J; Brand, Oliver; Delplanque, Jean-Pierre; Davis, Cristina E

2014-08-26

Combination of two physical phenomena, capillary pressure gradient and wettability gradient, allows a simple two-step fabrication process that yields a reliable hydrophobic self-cleaning condenser surface. The surface is fabricated with specific microscopic topography and further treatment with a chemically inert low-surface-energy material. This process does not require growth of nanofeatures (nanotubes) or hydrophilic-hydrophobic patterning of the surface. Trapezoidal geometry of the microfeatures facilitates droplet transfer from the Wenzel to the Cassie state and reduces droplet critical diameter. The geometry of the micropatterns enhances local coalescence and directional movement for droplets with diameter much smaller than the radial length of the micropatterns. The hydrophobic self-cleaning micropatterned condenser surface prevents liquid film formation and promotes continuous dropwise condensation cycle. Upon dropwise condensation, droplets follow a designed wettability gradient created with micropatterns from the most hydrophobic to the least hydrophobic end of the surface. The surface has higher condensation efficiency, due to its directional self-cleaning property, than a plain hydrophobic surface. We explain the self-actuated droplet collection mechanism on the condenser surface and demonstrate experimentally the creation of an effective wettability gradient over a 6 mm radial distance. In spite of its fabrication simplicity, the fabricated surface demonstrates self-cleaning property, enhanced condensation performance, and reliability over time. Our work enables creation of a hydrophobic condenser surface with the directional self-cleaning property that can be used for collection of biological (chemical, environmental) aerosol samples or for condensation enhancement.

Retrofitting Forced Air Combi Systems: A Cold Climate Field Assessment

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

Schoenbauer, Ben; Bohac, Dave; McAlpine, Jack

This project analyzed combined condensing water heaters or boilers and hydronic air coils to provide high efficiency domestic hot water (DHW) and forced air space heating. Called "combi" systems, they provided similar space and water heating performance less expensively than installing two condensing appliances. The system's installed costs were cheaper than installing a condensing furnace and either a condensing tankless or condensing storage water heater. However, combi costs must mature and be reduced before they are competitive with a condensing furnace and power vented water heater (energy factor of 0.60). Better insulation and tighter envelopes are reducing space heating loadsmore » for new and existing homes. For many homes, decreased space heating loads make it possible for both space and domestic water heating loads to be provided with a single heating plant. These systems can also eliminate safety issues associated with natural draft appliances through the use of one common sealed combustion vent. The combined space and water heating approach was not a new idea. Past systems have used non-condensing heating plants, which limited their usefulness in climates with high heating loads. Previous laboratory work (Schoenbauer et al. 2012a) showed that proper installation was necessary to achieve condensing with high efficiency appliances. Careful consideration was paid to proper system sizing and minimizing the water temperature returning from the air handling unit to facilitate condensing operation.« less

Performance of a pervaporation system for the separation of an ethanol-water mixture using fractional condensation.

PubMed

Liu, Jie; Li, Jiding; Chen, Quan; Li, Xiaoduan

2018-04-01

Polydimethylsiloxane (PDMS)/polyvinylidene fluoride (PVDF) composite membranes were fabricated and subsequently applied in ethanol recovery from an ethanol-water mixture by pervaporation (PV) using fractional condensation. The effects of feed temperature and feed flow velocity on the pervaporative properties of PDMS/PVDF composite membranes were investigated. Scanning electron microscopy (SEM) results showed that PDMS was coated uniformly on the surface of porous PVDF substrate, and the PDMS separation layer was dense with a thickness of 1.7 µm. Additionally, it was found that with increasing feed temperature, the total flux of the composite membrane increased, whereas the separation factor decreased. As the feed flow velocity increased, the total flux and separation factor increased. Besides, the permeate vapor was condensed by a two-stage fractional condenser maintained at different temperatures. The effects of the condensation conditions on fractions of ethanol-water vapor were studied to concentrate ethanol in product. The fractional condensers proved to be an effective way to enhance the separation efficiency. Under the optimum fractional condensation conditions, the second condenser showed a flux of 1,329 g/m 2 h and the separation factor was increased to 17.2. Furthermore, the long-term operation stability was verified, indicating that the PV system incorporating fractional condensation was a promising approach to separate ethanol from the ethanol-water mixture.

Titanium-Water Thermosyphon Gamma Radiation Effects and Results

NASA Technical Reports Server (NTRS)

Sanzi, James L.; Jaworske, Donald A.; Goodenow, Debra A.

2012-01-01

Titanium-water thermosyphons are being considered for use in heat rejection systems for fission power systems. Their proximity to the nuclear reactor will result in some exposure to gamma irradiation. Non-condensable gas formation from radiation may breakdown water over time and render a portion of the thermosyphon condenser inoperable. A series of developmental thermosyphons were operated at nominal operating temperature with accelerated gamma irradiation exposures on the same order of magnitude that is expected in eight years of heat rejection system operation. Temperature data were obtained during exposure at three locations on each thermosyphon; evaporator, condenser, and condenser end cap. Some non-condensable gas was evident, however thermosyphon performance was not affected because the non-condensable gas was compressed into the fill tube region at the top of the thermosyphon, away from the heat rejecting fin. The trend appeared to be an increasing amount of non-condensable gas formation with increasing gamma irradiation dose. Hydrogen is thought to be the most likely candidate for the non-condensable gas and hydrogen is known to diffuse through grain boundaries. Post-exposure evaluation of selected thermosyphons at temperature and in a vacuum chamber revealed that the non-condensable gas likely diffused out of the thermosyphons over a relatively short period of time. Further research shows a number of experimental and theoretical examples of radiolysis occurring through gamma radiation alone in pure water.

Retrofitting Forced Air Combi Systems: A Cold Climate Field Assessment

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

Schoenbauer, Ben; Bohac, Dave; McAlpine, Jake

This project analyzed combined condensing water heaters or boilers and hydronic air coils to provide high efficiency domestic hot water (DHW) and forced air space heating. Called 'combi' systems, they provided similar space and water heating performance less expensively than installing two condensing appliances. The system's installed costs were cheaper than installing a condensing furnace and either a condensing tankless or condensing storage water heater. However, combi costs must mature and be reduced before they are competitive with a condensing furnace and power vented water heater (energy factor of 0.60). Better insulation and tighter envelopes are reducing space heating loadsmore » for new and existing homes. For many homes, decreased space heating loads make it possible for both space and domestic water heating loads to be provided with a single heating plant. These systems can also eliminate safety issues associated with natural draft appliances through the use of one common sealed combustion vent. The combined space and water heating approach was not a new idea. Past systems have used non-condensing heating plants, which limited their usefulness in climates with high heating loads. Previous laboratory work (Schoenbauer et al. 2012a) showed that proper installation was necessary to achieve condensing with high efficiency appliances. Careful consideration was paid to proper system sizing and minimizing the water temperature returning from the air handling unit to facilitate condensing operation.« less

Comprehensive study of numerical anisotropy and dispersion in 3-D TLM meshes

NASA Astrophysics Data System (ADS)

Berini, Pierre; Wu, Ke

1995-05-01

This paper presents a comprehensive analysis of the numerical anisotropy and dispersion of 3-D TLM meshes constructed using several generalized symmetrical condensed TLM nodes. The dispersion analysis is performed in isotropic lossless, isotropic lossy and anisotropic lossless media and yields a comparison of the simulation accuracy for the different TLM nodes. The effect of mesh grading on the numerical dispersion is also determined. The results compare meshes constructed with Johns' symmetrical condensed node (SCN), two hybrid symmetrical condensed nodes (HSCN) and two frequency domain symmetrical condensed nodes (FDSCN). It has been found that under certain circumstances, the time domain nodes may introduce numerical anisotropy when modelling isotropic media.

Vacuum distillation/vapor filtration water recovery, phases 1 and 2

NASA Technical Reports Server (NTRS)

Honegger, R. J.; Remus, G. A.; Krug, E. K.

1973-01-01

The research is reported on the development of an evaporator for vacuum distillation/vapor filtration VD/VF water reclamation system for use on manned space flights. The design, fabrication, and tests of a six-man evaporator are described. It is concluded that: (1) A condenser with an internal rotating impeller and coolant surfaces directly opposite the condensing surfaces is an effective condenser. (2) The VD/VF evaporator, catalyst unit and condenser function satisfactorily based on thermal, mechanical and recovery performance during a 145-hour evaluation test. (3) The quality of recovered water, as measured by analyses for total organic carbon, pH, conductivity, turbidity, and viable bacteria density was within established limits for potability.

Reforming the Exhaust Passage of Low-pressure Cylinder for 330MW Steam Turbine

NASA Astrophysics Data System (ADS)

Yan, Tao; Cai, Wen; Chen, Wen; Lu, Jin; Hong-yan, Yang

2018-06-01

In concern of the velocity distribution of the exhaust passage of 330MW turbine is not uniform, which results in higher the upper temperature difference of the condenser and higher exhaust pressure. It is introduced in this article that based on mathematical simulation, steam-equalizing equipment is augmented at the exhaust area of the condenser which makes the decrease in the steam resistance, much more uniform velocity distribution, and the increase of the heat transfer coefficient. By comparison of the condenser performance test before the amending and after, the result shows that after the amending, the upper temperature difference of the condenser and the exhaust pressure decreases dramatically.

Final Research Performance Progress Report: Geothermal Resource Development with Zero Mass Withdrawal, Engineered Convection, and Wellbore Energy Conversion

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

Hughes, Richard; Tyagi, Mayank; Radonjic, Mileva

This project is intended to demonstrate the technical and economic feasibility, and environmental and social attractiveness of a novel method of heat extraction from geothermal reservoirs. The emphasis is on assessing the potential for a heat extraction method that couples forced and free convection to maximize extraction efficiency. The heat extraction concept is enhanced by considering wellbore energy conversion, which may include only a boiler for a working fluid, or perhaps a complete boiler, turbine, and condenser cycle within the wellbore. The feasibility of this system depends on maintaining mechanical and hydraulic integrity of the wellbore, so the material propertiesmore » of the casing-cement system are examined both experimentally and with well design calculations. The attractiveness depends on mitigation of seismic and subsidence risks, economic performance, environmental impact, and social impact – all of which are assessed as components of this study.« less

Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.

PubMed

Brandenburg, Jan Gerit; Caldeweyher, Eike; Grimme, Stefan

2016-06-21

We extend the recently introduced PBEh-3c global hybrid density functional [S. Grimme et al., J. Chem. Phys., 2015, 143, 054107] by a screened Fock exchange variant based on the Henderson-Janesko-Scuseria exchange hole model. While the excellent performance of the global hybrid is maintained for small covalently bound molecules, its performance for computed condensed phase mass densities is further improved. Most importantly, a speed up of 30 to 50% can be achieved and especially for small orbital energy gap cases, the method is numerically much more robust. The latter point is important for many applications, e.g., for metal-organic frameworks, organic semiconductors, or protein structures. This enables an accurate density functional based electronic structure calculation of a full DNA helix structure on a single core desktop computer which is presented as an example in addition to comprehensive benchmark results.

Condensation of binary mixtures on horizontal tubes

NASA Astrophysics Data System (ADS)

Büchner, A.; Reif, A.; Rehfeldt, S.; Klein, H.

2017-12-01

The two most common models to describe the condensation of binary mixtures are the equilibrium model by Silver (Trans Inst Chem Eng 25:30-42, 1947) and the film model by Colburn and Drew (Transactions of the American Institute of Chemical Engineers 33:197-215, 1937), which is stated by Webb et al. (Int J Heat Mass Transf 39:3147-3156, 1996) as more accurate. The film model describes the outer heat transfer coefficient by subdividing it into two separate resistances against the heat transfer. The resistance of the liquid condensate film on the tube can be calculated with equations for the condensation of pure substances for the analogous flow pattern and geometry using the property data of the mixture. The resistance in the gas phase can be described by a thermodynamic parameter Z and the single phase heat transfer coefficient α G . In this work measurements for condensation of the binary mixtures n-pentane/iso-octane and iso-propanol/water on horizontal tubes for free convection are carried out. The obtained results are compared with the film model by Colburn and Drew (Transactions of the American Institute of Chemical Engineers 33:197-215, 1937). The comparison shows a rather big deviation between the theoretical model and the experimental results. To improve the prediction quality an own model based on dimensionless numbers is proposed, which describes the experimental results of this work significantly better than the film model.

A novel series of 1, 4-Dihydropyridine (DHP) derivatives bearing thiazolidin-4-one: From synthesis to structure

NASA Astrophysics Data System (ADS)

Bade, Tahseen S.; Ebrahimi, Hossein Pasha; Alsalim, Tahseen A.; Titinchi, Salam J. J.; Abbo, Hanna S.; Bolandnazar, Zeinab; Ebrahimi, Amirpasha

2017-06-01

A novel series of 1, 4-Dihydropyridine (DHP) thiazolidin-4-one compounds derived from dihydropyridine hydrazones Schiff bases with thioglycolic acid were synthesized through an efficient Hantzsch reaction and experimentally characterized by spectral methods using IR, 1H NMR, 13C NMR, and mass spectroscopic methods. Herein, DHPs were synthesized by an improved Hantzsch procedure in the excellent yields by three different conditions including reflux condensation, fusion, and the microwave irradiation. An additional comparison of applied methodology routes was used to confirm the advantages including short reaction time, good yields, and operational simplicity. Furthermore, the structural and electronic properties of the studied molecules were theoretically investigated by performing density functional theory (DFT) to access reliable results to the experimental values. The molecular geometry, HOMO, and LUMO of the studied compounds were calculated. The theoretical 13C chemical shift results were also calculated using the gauge independent atomic orbital (GIAO) approach and their respective linear correlations were obtained.

Transport of Space Environment Electrons: A Simplified Rapid-Analysis Computational Procedure

NASA Technical Reports Server (NTRS)

Nealy, John E.; Anderson, Brooke M.; Cucinotta, Francis A.; Wilson, John W.; Katz, Robert; Chang, C. K.

2002-01-01

A computational procedure for describing transport of electrons in condensed media has been formulated for application to effects and exposures from spectral distributions typical of electrons trapped in planetary magnetic fields. The procedure is based on earlier parameterizations established from numerous electron beam experiments. New parameterizations have been derived that logically extend the domain of application to low molecular weight (high hydrogen content) materials and higher energies (approximately 50 MeV). The production and transport of high energy photons (bremsstrahlung) generated in the electron transport processes have also been modeled using tabulated values of photon production cross sections. A primary purpose for developing the procedure has been to provide a means for rapidly performing numerous repetitive calculations essential for electron radiation exposure assessments for complex space structures. Several favorable comparisons have been made with previous calculations for typical space environment spectra, which have indicated that accuracy has not been substantially compromised at the expense of computational speed.

Diffusion Monte Carlo study of strongly interacting two-dimensional Fermi gases

DOE PAGES

Galea, Alexander; Dawkins, Hillary; Gandolfi, Stefano; ...

2016-02-01

Ultracold atomic Fermi gases have been a popular topic of research, with attention being paid recently to two-dimensional (2D) gases. In this work, we perform T=0 ab initio diffusion Monte Carlo calculations for a strongly interacting two-component Fermi gas confined to two dimensions. We first go over finite-size systems and the connection to the thermodynamic limit. After that, we illustrate pertinent 2D scattering physics and properties of the wave function. We then show energy results for the strong-coupling crossover, in between the Bose-Einstein condensation (BEC) and Bardeen-Cooper-Schrieffer (BCS) regimes. Our energy results for the BEC-BCS crossover are parametrized to producemore » an equation of state, which is used to determine Tan's contact. We carry out a detailed comparison with other microscopic results. Lastly, we calculate the pairing gap for a range of interaction strengths in the strong coupling regime, following from variationally optimized many-body wave functions.« less

Genotoxicity of waterpipe smoke in buccal cells and peripheral blood leukocytes as determined by comet assay.

PubMed

Al-Amrah, Hadba Jar-Allah; Aboznada, Osama Abdullah; Alam, Mohammad Zubair; ElAssouli, M-Zaki Mustafa; Mujallid, Mohammad Ibrahim; ElAssouli, Sufian Mohamad

2014-12-01

Waterpipe smoke causes DNA damage in peripheral blood leukocytes and in buccal cells of smokers. To determine the exposure effect of waterpipe smoke on buccal cells and peripheral blood leukocytes in regard to DNA damage using comet assay. The waterpipe smoke condensates were analyzed by gas chromatography-mass spectrometry (GC-MS). The study was performed on 20 waterpipe smokers. To perform comet assay on bucaal cells of smokers, 10 µl of cell suspension was mixed with 85 µl of pre-warmed 1% low melting agarose, applied to comet slide and electrophoresed. To analyze the effect of smoke condensate in vitro, 1 ml of peripheral blood was mixed with 10 µl of smoke condensate and subjected for comet assay. The GC-MS analysis revealed the presence of 2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4on, nicotine, hydroxymethyl furancarboxaldehyde and 3-ethoxy-4-hydroxybenzaldehyde in the smoke condensates. Waterpipe smoking caused DNA damage in vivo in buccal cells of smokers. The tail moment and tail length in buccal cells of smokers were 186 ± 26 and 456 ± 71, respectively, which are higher than control. The jurak and moassel smoke condensates were found to cause DNA damage in peripheral blood leukocytes. The moassel smoke condensate was more damaging. There is wide misconception that waterpipe smoking is not as harmful as cigarette smoking. This study demonstrated that waterpipe smoke induced DNA damage in exposed cells. Waterpipe smokes cause DNA damage in buccal cells. The smoke condensate of both jurak and moassel caused comet formation suggesting DNA damage in peripheral blood leukocytes.

Quark chiral condensate from the overlap quark propagator

NASA Astrophysics Data System (ADS)

Wang, Chao; Bi, Yujiang; Cai, Hao; Chen, Ying; Gong, Ming; Liu, Zhaofeng

2017-05-01

From the overlap lattice quark propagator calculated in the Landau gauge, we determine the quark chiral condensate by fitting operator product expansion formulas to the lattice data. The quark propagators are computed on domain wall fermion configurations generated by the RBC-UKQCD Collaborations with N f = 2+1 flavors. Three ensembles with different light sea quark masses are used at one lattice spacing 1/a = 1.75(4) GeV. We obtain in the SU(2) chiral limit. Supported by National Natural Science Foundation of China (11575197, 11575196, 11335001, 11405178), joint funds of NSFC (U1632104, U1232109), YC and ZL acknowledge the support of NSFC and DFG (CRC110)

Steam thermolysis of tire shreds: modernization in afterburning of accompanying gas with waste steam

NASA Astrophysics Data System (ADS)

Kalitko, V. A.

2010-03-01

On the basis of experience in the commercial operation of tire-shred steam thermolysis in EnresTec Inc. (Taiwan) producing high-grade commercial carbon, liquid pyrolysis fuel, and accompanying fuel gas by this method, we have proposed a number of engineering solutions and calculated-analytical substantiations for modernization and intensification of the process by afterburning the accompanying gas with waste steam condensable in the scrubber of water gas cleaning of afterburning products. The condensate is completely freed of the organic pyrolysis impurities and the necessity of separating it from the liquid fuel, as is the case with the active process, is excluded.

Computational predictions of stereochemistry in asymmetric thiazolium- and triazolium-catalyzed benzoin condensations.

PubMed

Dudding, Travis; Houk, Kendall N

2004-04-20

The catalytic asymmetric thiazolium- and triazolium-catalyzed benzoin condensations of aldehydes and ketones were studied with computational methods. Transition-state geometries were optimized by using Morokuma's IMOMO [integrated MO (molecular orbital) + MO method] variation of ONIOM (n-layered integrated molecular orbital method) with a combination of B3LYP/6-31G(d) and AM1 levels of theory, and final transition-state energies were computed with single-point B3LYP/6-31G(d) calculations. Correlations between experiment and theory were found, and the origins of stereoselection were identified. Thiazolium catalysts were predicted to be less selective then triazolium catalysts, a trend also found experimentally.

Single-particle spectral functions in the normal phase of a strongly attractive Bose-Fermi mixture

NASA Astrophysics Data System (ADS)

Fratini, E.; Pieri, P.

2013-07-01

We calculate the single-particle spectral functions and quasiparticle dispersions for a Bose-Fermi mixture when the boson-fermion attraction is sufficiently strong to suppress completely the condensation of bosons at zero temperature. Within a T-matrix diagrammatic approach, we vary the boson-fermion attraction from the critical value where the boson condensate first disappears to the strongly attractive (molecular) regime and study the effect of both mass and density imbalance on the spectral weights and dispersions. An interesting spectrum of particle-hole excitations mixing two different Fermi surfaces is found. These unconventional excitations could be produced and explored experimentally with radio-frequency spectroscopy.

Solar cooling in Madrid: Available solar energy

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

Izquierdo, M.; Hernandez, F.; Martin, E.

1994-11-01

This paper analyzes the behaviour of an absorption chiller lithium bromide installation fed by a field of flat-plate solar collectors and condensed by swimming pool water. A method of calculation in a variable regime is developed in terms of the obtained experimental results. Starting from the meteorological variables of a clear summer day and from the project data (collector normalization curve, collector and installation mass), the minimum solar radiation level necessary to initiate the process, I[sub min], and the instantaneous available solar energy, Q[sub u] + W[sub 1] is determined. The solar radiation threshold, I[sub min], necessary to obtain themore » process temperature, t[sub ave], in each instant, is obtained by adding to the corrected Klein radiation threshold, I[sub k,c], the heat capacity effects of the collector, HCE[sub CO], and of the installation, HCE[sub ins], as well as the losses of heat of the pipes to the surroundings, Q[sub 1]. The instantaneous available solar energy, available useful heat, in addition to the wind collector losses to the surroundings, Q[sub u] + W[sub 1], is the difference, in each instant, between the radiation, I[sub g1T], and the radiation threshold, I[sub min].The integration during the day of the instantaneous available solar energy allows us to calculate the daily available function, H[sub T]. The value of H[sub T], measured in the swimming-pool water condensation installation reached 6.92 MJ/(m[sup 2] day ). The calculated values of H[sub T] for a conventional installation condensed by tower water, or air, have been 6.35 and 0.56 MJ/(m[sup 2] day). respectively.« less

Expedition Seven CDR Malenkenko performs IFM on Condensate Water Processor

NASA Image and Video Library

2003-07-03

ISS007-E-09229 (3 July 2003) --- Cosmonaut Yuri I. Malenchenko, Expedition 7 mission commander, performs scheduled in-flight maintenance (IFM) on the condensate water processor (SRV-K2M) by removing and replacing its BKO multifiltration/purification column unit, which has reached its service life limit (450 liters min.). The old unit will be discarded on Progress. The IFM took place in the Zvezda Service Module on the International Space Station (ISS). Malenchenko represents Rosaviakosmos.

Expedition Seven CDR Malenkenko performs IFM on Condensate Water Processor

NASA Image and Video Library

2003-07-03

ISS007-E-09231 (3 July 2003) --- Cosmonaut Yuri I. Malenchenko, Expedition 7 mission commander, performs scheduled in-flight maintenance (IFM) on the condensate water processor (SRV-K2M) by removing and replacing its BKO multifiltration/purification column unit, which has reached its service life limit (450 liters min.). The old unit will be discarded on Progress. The IFM took place in the Zvezda Service Module on the International Space Station (ISS). Malenchenko represents Rosaviakosmos.

Synthesis of novel Schiff's bases of highly potential biological activities and their structure investigation.

PubMed

Zayed, Ehab M; Zayed, M A

2015-05-15

Novel bisaldehyde-hydrazide Schiff's bases AS1 (2,2'-(ethane-1,2-diylbis(oxy))dibenzaldehyde terephthalohydrazide) and AS2 (N',N'″-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))di(benzohydrazide)) were prepared as new macrocyclic compounds via condensation reactions. AS1 had been prepared by condensation between (2,2'-(ethane-1,2-diylbis(oxy))dibenzaldehyde) bisaldehyde and terephthalohydrazide in a ratio1:1. AS2 had been obtained by condensation between (2,2'-(ethane-1,2-diylbis(oxy))dibenzaldehyde) bisaldehyde and benzohydrazide in ratio 1:2. The structures of AS1 and AS2 were characterized by elemental analysis (EA), mass (MS), FT-IR and (1)H-NMR spectra, and thermal analyses (TG, DTG). The activation thermodynamic parameters such as ΔE(∗), ΔH(∗), ΔS(∗) and ΔG(∗) were calculated from the TG curves using Coats-Redfern method. It is important to investigate their molecular structures to know the active groups and weak bonds responsible for their biological activities. Consequently in the present work, the obtained thermal (TA) and mass (MS) practical results are confirmed by semi-empirical MO-calculations (MOCS) using PM3 procedure. Their biological activities had been tested in vitro against Escherichia coli, Proteus vulgaris, Bacillus subtilis and Staphylococcus aurous bacteria in order to assess their anti-microbial potential. Copyright © 2015 Elsevier B.V. All rights reserved.

Synthesis of novel Schiff's bases of highly potential biological activities and their structure investigation

NASA Astrophysics Data System (ADS)

Zayed, Ehab M.; Zayed, M. A.

2015-05-01

Novel bisaldehyde-hydrazide Schiff's bases AS1 (2,2‧-(ethane-1,2-diylbis(oxy))dibenzaldehyde terephthalohydrazide) and AS2 (N‧,N‧″-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methanylylidene))di(benzohydrazide)) were prepared as new macrocyclic compounds via condensation reactions. AS1 had been prepared by condensation between (2,2‧-(ethane-1,2-diylbis(oxy))dibenzaldehyde) bisaldehyde and terephthalohydrazide in a ratio1:1. AS2 had been obtained by condensation between (2,2‧-(ethane-1,2-diylbis(oxy))dibenzaldehyde) bisaldehyde and benzohydrazide in ratio 1:2. The structures of AS1 and AS2 were characterized by elemental analysis (EA), mass (MS), FT-IR and 1H-NMR spectra, and thermal analyses (TG, DTG). The activation thermodynamic parameters such as ΔE∗, ΔH∗, ΔS∗ and ΔG∗ were calculated from the TG curves using Coats-Redfern method. It is important to investigate their molecular structures to know the active groups and weak bonds responsible for their biological activities. Consequently in the present work, the obtained thermal (TA) and mass (MS) practical results are confirmed by semi-empirical MO-calculations (MOCS) using PM3 procedure. Their biological activities had been tested in vitro against Escherichia coli, Proteus vulgaris, Bacillus subtilis and Staphylococcus aurous bacteria in order to assess their anti-microbial potential.

Dynamics of vortex dipoles in anisotropic Bose-Einstein condensates

DOE PAGES

Goodman, Roy H.; Kevrekidis, P. G.; Carretero-González, R.

2015-04-14

We study the motion of a vortex dipole in a Bose-Einstein condensate confined to an anisotropic trap. We focus on a system of ODEs describing the vortices' motion, which is in turn a reduced model of the Gross-Pitaevskii equation describing the condensate's motion. Using a sequence of canonical changes of variables, we reduce the dimension and simplify the equations of motion. In this study, we uncover two interesting regimes. Near a family of periodic orbits known as guiding centers, we find that the dynamics is essentially that of a pendulum coupled to a linear oscillator, leading to stochastic reversals inmore » the overall direction of rotation of the dipole. Near the separatrix orbit in the isotropic system, we find other families of periodic, quasi-periodic, and chaotic trajectories. In a neighborhood of the guiding center orbits, we derive an explicit iterated map that simplifies the problem further. Numerical calculations are used to illustrate the phenomena discovered through the analysis. Using the results from the reduced system, we are able to construct complex periodic orbits in the original, PDE, mean-field model for Bose-Einstein condensates, which corroborates the phenomenology observed in the reduced dynamical equations.« less

Dynamics of vortex dipoles in anisotropic Bose-Einstein condensates

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

Goodman, Roy H.; Kevrekidis, P. G.; Carretero-González, R.

We study the motion of a vortex dipole in a Bose-Einstein condensate confined to an anisotropic trap. We focus on a system of ODEs describing the vortices' motion, which is in turn a reduced model of the Gross-Pitaevskii equation describing the condensate's motion. Using a sequence of canonical changes of variables, we reduce the dimension and simplify the equations of motion. In this study, we uncover two interesting regimes. Near a family of periodic orbits known as guiding centers, we find that the dynamics is essentially that of a pendulum coupled to a linear oscillator, leading to stochastic reversals inmore » the overall direction of rotation of the dipole. Near the separatrix orbit in the isotropic system, we find other families of periodic, quasi-periodic, and chaotic trajectories. In a neighborhood of the guiding center orbits, we derive an explicit iterated map that simplifies the problem further. Numerical calculations are used to illustrate the phenomena discovered through the analysis. Using the results from the reduced system, we are able to construct complex periodic orbits in the original, PDE, mean-field model for Bose-Einstein condensates, which corroborates the phenomenology observed in the reduced dynamical equations.« less

Composition and stability of the condensate observed at the Viking Lander 2 site on Mars

NASA Astrophysics Data System (ADS)

Hart, H. M.; Jakosky, B. M.

1986-04-01

Surface energy balance and near-surface temperature data from the Viking Lander 2 site taken during the first winter that condensated were observed and analyzed to determine the relative stability of CO2 and H2O frosts. The CO2 frost stability is calculated with an equilibrium surface energy balance model, i.e., the total energy incident on a frost surface is compared with the blackbody energy emitted by the surface. The energy sources considered were IR emission from the atmosphere, sunlight, and the sensible heat flux from the atmosphere. H2O stability was examined as a function of buoyant diffusion and turbulent mixing processes which could remove saturated near-surface gases. The CO2 frost is found to be sufficiently unstable at the time the condensate was observed on the ground, so all CO2 ice deposited at night would boil away in a few hours of sunlight. CO2 ice would not form during a dust storm. Water frost would be stable during the condensate observations, since sublimation would occur at a rate below 1 micron/day. A stable winter thickness of 10 microns is projected for the water ice.

Non-equilibrium condensation of supercritical carbon dioxide in a converging-diverging nozzle

NASA Astrophysics Data System (ADS)

Ameli, Alireza; Afzalifar, Ali; Turunen-Saaresti, Teemu

2017-03-01

Carbon dioxide (CO2) is a promising alternative as a working fluid for future energy conversion and refrigeration cycles. CO2 has low global warming potential compared to refrigerants and supercritical CO2 Brayton cycle ought to have better efficiency than today’s counter parts. However, there are several issues concerning behaviour of supercritical CO2 in aforementioned applications. One of these issues arises due to non-equilibrium condensation of CO2 for some operating conditions in supercritical compressors. This paper investigates the non-equilibrium condensation of carbon dioxide in the course of an expansion from supercritical stagnation conditions in a converging-diverging nozzle. An external look-up table was implemented, using an in-house FORTRAN code, to calculate the fluid properties in supercritical, metastable and saturated regions. This look-up table is coupled with the flow solver and the non-equilibrium condensation model is introduced to the solver using user defined expressions. Numerical results are compared with the experimental measurements. In agreement with the experiment, the distribution of Mach number in the nozzle shows that the flow becomes supersonic in upstream region near the throat where speed of sound is minimum also the equilibrium reestablishment occurs at the outlet boundary condition.

Effects of Chemistry on Vertical Dust Motion in Early Protoplanetary Disks

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

Miyazaki, Yoshinori; Korenaga, Jun

We propose the possibility of a new phenomenon affecting the settling of dust grains at the terrestrial region in early protoplanetary disks. Sinking dust grains evaporate in a hot inner region during the early stage of disk evolution, and the effects of condensation and evaporation on vertical dust settling can be significant. A 1D dust settling model considering both physical and chemical aspects is presented in this paper. Modeling results show that dust grains evaporate as they descend into the hotter interior and form a condensation front, above which dust-composing major elements, Mg, Si, and Fe, accumulate, creating a largemore » temperature gradient. Repeated evaporation at the front inhibits grain growth, and small grain sizes elevate the opacity away from the midplane. Self-consistent calculations, including radiative heat transfer and condensation theory, suggest that the mid-disk temperature could be high enough for silicates to remain evaporated longer than previous estimates. The formation of a condensation front leads to contrasting settling behaviors between highly refractory elements, such as Al and Ca, and moderately refractory elements, such as Mg, Si, and Fe, suggesting that elemental abundance in planetesimals may not be a simple function of volatility.« less

Diurnal variations in optical depth at Mars: Observations and interpretations

NASA Technical Reports Server (NTRS)

Colburn, D. S.; Pollack, J. B.; Haberle, R. M.

1988-01-01

Viking lander camera images of the Sun were used to compute atmospheric optical depth at two sites over a period of 1 to 1/3 martian years. The complete set of 1044 optical depth determinations is presented in graphical and tabular form. Error estimates are presented in detail. Optical depths in the morning (AM) are generally larger than in the afternoon (PM). The AM-PM differences are ascribed to condensation of water vapor into atmospheric ice aerosols at night and their evaporation in midday. A smoothed time series of these differences shows several seasonal peaks. These are simulated using a one-dimensional radiative convective model which predicts martial atmospheric temperature profiles. A calculation combining these profiles with water vapor measurements from the Mars Atmospheric Water Detector is used to predict when the diurnal variations of water condensation should occur. The model reproduces a majority of the observed peaks and shows the factors influencing the process. Diurnal variation of condensation is shown to peak when the latitude and season combine to warm the atmosphere to the optimum temperature, cool enough to condense vapor at night and warm enough to cause evaporation at midday.

Composition and stability of the condensate observed at the Viking Lander 2 site on Mars

NASA Technical Reports Server (NTRS)

Hart, H. M.; Jakosky, B. M.

1986-01-01

Surface energy balance and near-surface temperature data from the Viking Lander 2 site taken during the first winter that condensated were observed and analyzed to determine the relative stability of CO2 and H2O frosts. The CO2 frost stability is calculated with an equilibrium surface energy balance model, i.e., the total energy incident on a frost surface is compared with the blackbody energy emitted by the surface. The energy sources considered were IR emission from the atmosphere, sunlight, and the sensible heat flux from the atmosphere. H2O stability was examined as a function of buoyant diffusion and turbulent mixing processes which could remove saturated near-surface gases. The CO2 frost is found to be sufficiently unstable at the time the condensate was observed on the ground, so all CO2 ice deposited at night would boil away in a few hours of sunlight. CO2 ice would not form during a dust storm. Water frost would be stable during the condensate observations, since sublimation would occur at a rate below 1 micron/day. A stable winter thickness of 10 microns is projected for the water ice.

Moist Adiabats with Multiple Condensing Species: A New Theory with Application to Giant-Planet Atmospheres

NASA Astrophysics Data System (ADS)

Li, Cheng; Ingersoll, Andrew P.; Oyafuso, Fabiano

2018-04-01

We derived a new formula for calculating the moist adiabatic temperature profile of an atmosphere consisting of ideal gases with multiple condensing species. This expression unifies various formulas published in the literature and can be generalized to account for chemical reactions. Unlike previous methods, it converges to machine precision independent of mesh size. It accounts for any ratio of condensable vapors to dry gas, from zero to infinity, and for variable heat capacities as a function of temperature. Because the derivation is generic, the new formula is not only applicable to planetary atmosphere in the solar system, but also to hot Jupiters and brown dwarfs in which a variety of alkali metals, silicates and exotic materials condense. We demonstrate that even though the vapors are ideal gases, they interact in their effects on the moist adiabatic lapse rate. Finally, we apply the new thermodynamic model to study the effects of downdrafts on the distribution of minor constituents and thermal profile in the Galileo probe hotspot. We find that the Galileo Probe measurements can be interpreted as a strong downdraft that displaces an air parcel from 1 bar to the 4 bar level.

Effects of Chemistry on Vertical Dust Motion in Early Protoplanetary Disks

NASA Astrophysics Data System (ADS)

Miyazaki, Yoshinori; Korenaga, Jun

2017-11-01

We propose the possibility of a new phenomenon affecting the settling of dust grains at the terrestrial region in early protoplanetary disks. Sinking dust grains evaporate in a hot inner region during the early stage of disk evolution, and the effects of condensation and evaporation on vertical dust settling can be significant. A 1D dust settling model considering both physical and chemical aspects is presented in this paper. Modeling results show that dust grains evaporate as they descend into the hotter interior and form a condensation front, above which dust-composing major elements, Mg, Si, and Fe, accumulate, creating a large temperature gradient. Repeated evaporation at the front inhibits grain growth, and small grain sizes elevate the opacity away from the midplane. Self-consistent calculations, including radiative heat transfer and condensation theory, suggest that the mid-disk temperature could be high enough for silicates to remain evaporated longer than previous estimates. The formation of a condensation front leads to contrasting settling behaviors between highly refractory elements, such as Al and Ca, and moderately refractory elements, such as Mg, Si, and Fe, suggesting that elemental abundance in planetesimals may not be a simple function of volatility.

ANALYSIS OF BORON DILUTION TRANSIENTS IN PWRS.

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

DIAMOND,D.J.BROMLEY,B.P.ARONSON,A.L.

2004-02-04

A study has been carried out with PARCS/RELAP5 to understand the consequences of hypothetical boron dilution events in pressurized water reactors. The scenarios of concern start with a small-break loss-of-coolant accident. If the event leads to boiling in the core and then the loss of natural circulation, a boron-free condensate can accumulate in the cold leg. The dilution event happens when natural circulation is re-established or a reactor coolant pump (RCP) is restarted in violation of operating procedures. This event is of particular concern in B&W reactors with a lowered-loop design and is a Generic Safety Issue for the U.S.more » Nuclear Regulatory Commission. The results of calculations with the reestablishment of natural circulation show that there is no unacceptable fuel damage. This is determined by calculating the maximum fuel pellet enthalpy, based on the three-dimensional model, and comparing it with the criterion for damage. The calculation is based on a model of a B&W reactor at beginning of the fuel cycle. If an RCP is restarted, unacceptable fuel damage may be possible in plants with sufficiently large volumes of boron-free condensate in the cold leg.« less

Numerical simulation of condensation on structured surfaces.

PubMed

Fu, Xiaowu; Yao, Zhaohui; Hao, Pengfei

2014-11-25

Condensation of liquid droplets on solid surfaces happens widely in nature and industrial processes. This phase-change phenomenon has great effect on the performance of some microfluidic devices. On the basis of micro- and nanotechnology, superhydrophobic structured surfaces can be well-fabricated. In this work, the nucleating and growth of droplets on different structured surfaces are investigated numerically. The dynamic behavior of droplets during the condensation is simulated by the multiphase lattice Boltzmann method (LBM), which has the ability to incorporate the microscopic interactions, including fluid-fluid interaction and fluid-surface interaction. The results by the LBM show that, besides the chemical properties of surfaces, the topography of structures on solid surfaces influences the condensation process. For superhydrophobic surfaces, the spacing and height of microridges have significant influence on the nucleation sites. This mechanism provides an effective way for prevention of wetting on surfaces in engineering applications. Moreover, it suggests a way to prevent ice formation on surfaces caused by the condensation of subcooled water. For hydrophilic surfaces, however, microstructures may be submerged by the liquid films adhering to the surfaces. In this case, microstructures will fail to control the condensation process. Our research provides an optimized way for designing surfaces for condensation in engineering systems.

On the contribution of polycyclic aromatic hydrocarbons to the carcinogenic impact of automobile exhaust condensate evaluated by local application onto mouse skin.

PubMed

Grimmer, G; Brune, H; Deutsch-Wenzel, R; Naujack, K W; Misfeld, J; Timm, J

1983-11-01

The objective of this investigation was to identify the substances chiefly responsible for the carcinogenicity of automobile exhaust condensate using topical application onto the skin of mice. This was performed by comparing the carcinogenic effect of various fractions with that of an unseparated sample of automobile exhaust condensate, tested in 3 different doses. The probit and Weibull analysis of the result shows: (a) The condensate, emitted from a gasoline-driven automobile provokes local tumors after long-term application to the dorsal skin of mice. The tumor incidence demonstrates a clear cut dose-response relationship. (b) The fraction of polycyclic aromatic hydrocarbons (PAH) containing more than 3 rings accounts for about 84-91% of the total carcinogenicity of automobile exhaust condensate. This fraction represents only about 3.5% by wt of the condensate. (c) The content of benzo[a]pyrene (BaP) (0.414 mg/g) accounts for 6-7.6% of the total carcinogenicity of automobile exhaust condensate, 15 selected PAHs for about 41%. (d) Regarding the minor effect of the PAH-free fraction (about 83% by wt), no hints for a cocarcinogenic activity were observed.

Vapor Compression and Thermoelectric Heat Pump Heat Exchangers for a Condensate Distillation System: Design and Experiment

NASA Technical Reports Server (NTRS)

Erickson, Lisa R.; Ungar, Eugene K.

2013-01-01

Maximizing the reuse of wastewater while minimizing the use of consumables is critical in long duration space exploration. One of the more promising methods of reclaiming urine is the distillation/condensation process used in the cascade distillation system (CDS). This system accepts a mixture of urine and toxic stabilizing agents, heats it to vaporize the water and condenses and cools the resulting water vapor. The CDS wastewater flow requires heating and its condensate flow requires cooling. Performing the heating and cooling processes separately requires two separate units, each of which would require large amounts of electrical power. By heating the wastewater and cooling the condensate in a single heat pump unit, mass, volume, and power efficiencies can be obtained. The present work describes and compares two competing heat pump methodologies that meet the needs of the CDS: 1) a series of mini compressor vapor compression cycles and 2) a thermoelectric heat exchanger. In the paper, the system level requirements are outlined, the designs of the two heat pumps are described in detail, and the results of heat pump performance tests are provided. A summary is provided of the heat pump mass, volume and power trades and a selection recommendation is made.

On the heat capacity of elements in WMD regime

NASA Astrophysics Data System (ADS)

Hamel, Sebatien

2014-03-01

Once thought to get simpler with increasing pressure, elemental systems have been discovered to exhibit complex structures and multiple phases at high pressure. For carbon, QMD/PIMC simulations have been performed and the results are guiding alternative modelling methodologies for constructing a carbon equation-of-state covering the warm dense matter regime. One of the main results of our new QMD/PIMC carbon equation of state is that the decay of the ion-thermal specific heat with temperature is much faster than previously expected. An important question is whether this is only found in carbon and not other element. In this presentation, based on QMD calculations for several elements, we explore trends in the transition from condensed matter to warm dense matter regime.

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

Lu, Yuan; Zuo, Xu, E-mail: xzuo@nankai.edu.cn; Feng, Min

Motivated by recent theoretical predications for Dirac cone in two-dimensional (2D) triangular lattice [H. Ishizuka, Phys. Rev. Lett. 109, 237207 (2012)], first-principles studies are performed to predict Dirac cones in artificial structures of 3d transitional-metals (TM = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) doped Mg-Al spinels. In investigated artificial structures, TM dopants substitute specific positions of the B sub-lattice in Mg-Al spinel, and form a quasi-2D triangular lattice in the a-b plane. Calculated results illustrate the existence of the spin-polarized Dirac cones formed in d-wave bands at (around) the K-point in the momentum space. The study provides a promisingmore » route for engineering Dirac physics in condensed matters.« less

Design and Performance Estimates of an Ablative Gallium Electromagnetic Thruster

NASA Technical Reports Server (NTRS)

Thomas, Robert E.

2012-01-01

The present study details the high-power condensable propellant research being conducted at NASA Glenn Research Center. The gallium electromagnetic thruster is an ablative coaxial accelerator designed to operate at arc discharge currents in the range of 10-25 kA. The thruster is driven by a four-parallel line pulse forming network capable of producing a 250 microsec pulse with a 60 kA amplitude. A torsional-type thrust stand is used to measure the impulse of a coaxial GEM thruster. Tests are conducted in a vacuum chamber 1.5 m in diameter and 4.5 m long with a background pressure of 2 microtorr. Electromagnetic scaling calculations predict a thruster efficiency of 50% at a specific impulse of 2800 seconds.

Investigation of arterial gas occlusions. [effect of noncondensable gases on high performance heat pipes

NASA Technical Reports Server (NTRS)

Saaski, E. W.

1974-01-01

The effect of noncondensable gases on high-performance arterial heat pipes was investigated both analytically and experimentally. Models have been generated which characterize the dissolution of gases in condensate, and the diffusional loss of dissolved gases from condensate in arterial flow. These processes, and others, were used to postulate stability criteria for arterial heat pipes under isothermal and non-isothermal condensate flow conditions. A rigorous second-order gas-loaded heat pipe model, incorporating axial conduction and one-dimensional vapor transport, was produced and used for thermal and gas studies. A Freon-22 (CHCIF2) heat pipe was used with helium and xenon to validate modeling. With helium, experimental data compared well with theory. Unusual gas-control effects with xenon were attributed to high solubility.

Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions.

PubMed

Krishtal, Alisa; Sinha, Debalina; Genova, Alessandro; Pavanello, Michele

2015-05-13

Subsystem density-functional theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to the computation of condensed phase systems, their excited states, and the evaluation of many-body interactions between the subsystems. As subsystem DFT is in principle an exact theory, any advance in this field can have a dual role. One is the possible applicability of a resulting method in practical calculations. The other is the possibility of shedding light on some quantum-mechanical phenomenon which is more easily treated by subdividing a supersystem into subsystems. An example of the latter is many-body interactions. In the discussion, we present some recent work from our research group as well as some new results, casting them in the current state-of-the-art in this review as comprehensively as possible.

RACORO aerosol data processing

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

Elisabeth Andrews

2011-10-31

The RACORO aerosol data (cloud condensation nuclei (CCN), condensation nuclei (CN) and aerosol size distributions) need further processing to be useful for model evaluation (e.g., GCM droplet nucleation parameterizations) and other investigations. These tasks include: (1) Identification and flagging of 'splash' contaminated Twin Otter aerosol data. (2) Calculation of actual supersaturation (SS) values in the two CCN columns flown on the Twin Otter. (3) Interpolation of CCN spectra from SGP and Twin Otter to 0.2% SS. (4) Process data for spatial variability studies. (5) Provide calculated light scattering from measured aerosol size distributions. Below we first briefly describe the measurementsmore » and then describe the results of several data processing tasks that which have been completed, paving the way for the scientific analyses for which the campaign was designed. The end result of this research will be several aerosol data sets which can be used to achieve some of the goals of the RACORO mission including the enhanced understanding of cloud-aerosol interactions and improved cloud simulations in climate models.« less

Nonsingular bouncing cosmology: Consistency of the effective description

NASA Astrophysics Data System (ADS)

Koehn, Michael; Lehners, Jean-Luc; Ovrut, Burt

2016-05-01

We explicitly confirm that spatially flat nonsingular bouncing cosmologies make sense as effective theories. The presence of a nonsingular bounce in a spatially flat universe implies a temporary violation of the null energy condition, which can be achieved through a phase of ghost condensation. We calculate the scale of strong coupling and demonstrate that the ghost-condensate bounce remains trustworthy throughout, and that all perturbation modes within the regime of validity of the effective description remain under control. For this purpose we require the perturbed action up to third order in perturbations, which we calculate in both flat and co-moving gauge—since these two gauges allow us to highlight different physical aspects. Our conclusion is that there exist healthy descriptions of nonsingular bouncing cosmologies providing a viable resolution of the big-bang singularities in cosmological models. Our results also suggest a variant of ekpyrotic cosmology, in which entropy perturbations are generated during the contracting phase, but are only converted into curvature perturbations after the bounce.

Space Station Environmental Control and Life Support System Purge Control Pump Assembly Modeling and Analysis

NASA Technical Reports Server (NTRS)

Schunk, R. Gregory; Hunt, Patrick L. (Technical Monitor)

2001-01-01

Preliminary results from a thermal/flow analysis of the Purge Control Pump Assembly (PCPA) indicate that pump performance (mass flow rate) is enhanced via cooling of the housing and lowering of the inlet vapor quality. Under a nominal operational profile (25% duty cycle or less), at the maximum motor dissipation, it appears that the peristaltic tubing temperature will still remain significantly below the expected UPA condenser temperature (78 F max versus approximately 105 F in the condenser) permitting condensation in the pump head.

Condensed tannins from acacia mangium bark: Characterization by spot tests and FTIR

NASA Astrophysics Data System (ADS)

Bharudin, Muhammad Azizi; Zakaria, Sarani; Chia, Chin Hua

2013-11-01

This paper describes the adaptation and evaluation of one chemical tests for tannins characterization in acacia mangium bark. Acid butanol test developed to identify respectively condensed tannins is described. The two traditional tests used for tannin characterization namely ferric test and vanillin test were also performed and their functional also discussed. Condensed tannins were extracted from acacia mangium bark using water medium in presence of three different concentration basic reagent of NaOH(5%,10% and 15%) and were characterized by FT-IR spectrometry.

Condensate polisher prefiltration study for Laguna Verde Station

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

Garcia, A.; Oyen, L.C.; Nelson, R.A.

1995-05-01

This paper describes an analysis of the iron and copper in the condensate and the technical and economic assessment of the installation of condensate polisher prefilters in Comision Federal de Electricidad`s Laguna Verde Nuclear Generating Station (LVNGS) north of Veracruz, Mexico. LVNGS is a 654 MWe General Electric BWR plant; Unit 1 has been in commercial operation since July, 1990, and Unit 2 is scheduled to become operational in June, 1995. The primary purpose of this study was to (1) analyze the high iron and copper concentrations in the condensate and feedwater, (2) identify, assess, and evaluate techniques to reducemore » the iron and copper concentrations, and (3) perform a cost-benefit analysis of the installation of implementing the appropriate techniques.« less

Modeling of corrosion product migration in the secondary circuit of nuclear power plants with WWER-1200

NASA Astrophysics Data System (ADS)

Kritskii, V. G.; Berezina, I. G.; Gavrilov, A. V.; Motkova, E. A.; Zelenina, E. V.; Prokhorov, N. A.; Gorbatenko, S. P.; Tsitser, A. A.

2016-04-01

Models of corrosion and mass transfer of corrosion products in the pipes of the condensate-feeding and steam paths of the secondary circuit of NPPs with WWER-1200 are presented. The mass transfer and distribution of corrosion products over the currents of the working medium of the secondary circuit were calculated using the physicochemical model of mass transfer of corrosion products in which the secondary circuit is regarded as a cyclic system consisting of a number of interrelated elements. The circuit was divided into calculated regions in which the change in the parameters (flow rate, temperature, and pressure) was traced and the rates of corrosion and corrosion products entrainment, high-temperature pH, and iron concentration were calculated. The models were verified according to the results of chemical analyses at Kalinin NPP and iron corrosion product concentrations in the feed water at different NPPs depending on pH at 25°C (pH25) for service times τ ≥ 5000 h. The calculated pH values at a coolant temperature t (pH t ) in the secondary circuit of NPPs with WWER-1200 were presented. The calculation of the distribution of pH t and ethanolamine and ammonia concentrations over the condensate feed (CFC) and steam circuits is given. The models are designed for developing the calculation codes. The project solutions of ATOMPROEKT satisfy the safety and reliability requirements for power plants with WWER-1200. The calculated corrosion and corrosion product mass transfer parameters showed that the model allows the designer to choose between the increase of the correcting reagent concentration, the use of steel with higher chromium contents, and intermittent washing of the steam generator from sediments as the best solution for definite regions of the circuit.

Theoretical Investigation of OCN(-) Charge Transfer Complexes in Condensed Phase Media: Spectroscopic Properties in Amorphous Ice

NASA Technical Reports Server (NTRS)

Park, Jin-Young; Woon, David E.

2004-01-01

Density functional theory (DFT) calculations of cyanate (OCN(-)) charge-transfer complexes were performed to model the "XCN" feature observed in interstellar icy grain mantles. OCN(-) charge-transfer complexes were formed from precursor combinations of HNCO or HOCN with either NH3 or H2O. Three different solvation strategies for realistically modeling the ice matrix environment were explored, including (1) continuum solvation, (2) pure DFT cluster calculations, and (3) an ONIOM DFT/PM3 cluster calculation. The model complexes were evaluated by their ability to reproduce seven spectroscopic measurements associated with XCN: the band origin of the OCN(-) asymmetric stretching mode, shifts in that frequency due to isotopic substitutions of C, N, O, and H, plus two weak features. The continuum solvent field method produced results consistent with some of the experimental data but failed to account for other behavior due to its limited capacity to describe molecular interactions with solvent. DFT cluster calculations successfully reproduced the available spectroscopic measurements very well. In particular, the deuterium shift showed excellent agreement in complexes where OCN(-) was fully solvated. Detailed studies of representative complexes including from two to twelve water molecules allowed the exploration of various possible solvation structures and provided insights into solvation trends. Moreover, complexes arising from cyanic or isocyanic acid in pure water suggested an alternative mechanism for the formation of OCN(-) charge-transfer complexes without the need for a strong base such as NH3 to be present. An extended ONIOM (B3LYP/PM3) cluster calculation was also performed to assess the impact of a more realistic environment on HNCO dissociation in pure water.

Doxorubicin hinders DNA condensation promoted by the protein bovine serum albumin (BSA).

PubMed

Lima, C H M; de Paula, H M C; da Silva, L H M; Rocha, M S

2017-12-01

In this work, we have studied the interaction between the anticancer drug doxorubicin (doxo) and condensed DNA, using optical tweezers. To perform this task, we use the protein bovine serum albumin (BSA) in the working buffer to mimic two key conditions present in the real intracellular environment: the condensed state of the DNA and the abundant presence of charged macromolecules in the surrounding medium. In particular, we have found that, when doxo is previously intercalated in disperse DNA, the drug hinders the DNA condensation process upon the addition of BSA in the buffer. On the other hand, when bare DNA is firstly condensed by BSA, doxo is capable to intercalate and to unfold the DNA condensates at relatively high concentrations. In addition, a specific interaction between BSA and doxo was verified, which significantly changes the chemical equilibrium of the DNA-doxo interaction. Finally, the presence of BSA in the buffer stabilizes the double-helix structure of the DNA-doxo complexes, preventing partial DNA denaturation induced by the stretching forces. © 2017 Wiley Periodicals, Inc.

Effects of Solid Fraction on Droplet Wetting and Vapor Condensation: A Molecular Dynamic Simulation Study.

PubMed

Gao, Shan; Liao, Quanwen; Liu, Wei; Liu, Zhichun

2017-10-31

Recently, numerous studies focused on the wetting process of droplets on various surfaces at a microscale level. However, there are a limited number of studies about the mechanism of condensation on patterned surfaces. The present study performed the dynamic wetting behavior of water droplets and condensation process of water molecules on substrates with different pillar structure parameters, through molecular dynamic simulation. The dynamic wetting results indicated that droplets exhibit Cassie state, PW state, and Wenzel state successively on textured surfaces with decreasing solid fraction. The droplets possess a higher static contact angle and a smaller spreading exponent on textured surfaces than those on smooth surfaces. The condensation processes, including the formation, growth, and coalescence of a nanodroplet, are simulated and quantitatively recorded, which are difficult to be observed by experiments. In addition, a wetting transition and a dewetting transition were observed and analyzed in condensation on textured surfaces. Combining these simulation results with previous theoretical and experimental studies will guide us to understand the hypostasis and mechanism of the condensation more clearly.

40 CFR 63.5535 - What performance tests and other procedures must I use?

Code of Federal Regulations, 2011 CFR

2011-07-01

...) Determine the net heating value of the gas being combusted using the techniques specified in § 63.11(b)(6... condensers, record the outlet (product side) gas or condensed liquid temperature averaged over the same... the temperature sensor in a position that provides a representative temperature. (3) For thermal...

40 CFR 63.5535 - What performance tests and other procedures must I use?

Code of Federal Regulations, 2010 CFR

2010-07-01

...) Determine the net heating value of the gas being combusted using the techniques specified in § 63.11(b)(6... condensers, record the outlet (product side) gas or condensed liquid temperature averaged over the same... the temperature sensor in a position that provides a representative temperature. (3) For thermal...

Acetone Enhances the Direct Analysis of Total Condensed Tannins in Forage Legumes by the Butanol-HCl Assay

USDA-ARS?s Scientific Manuscript database

Depending on concentration, condensed tannins (CT) in forages have no effect, enhance, or impede protein utilization and performance of ruminants. Defining optimal forage CT levels has been elusive, partly because current methods for estimating total soluble plus insoluble CT are laborious or inaccu...

Effect of condensed tannin extract supplementation of performance, nitrogen, balance, gas emissions, and energetic losses of beef steers

USDA-ARS?s Scientific Manuscript database

Nitrogen emissions from concentrated animal feeding operations are of increasing concern to regulatory agencies and consumers. We evaluated the effect of top-dressing a finishing diet (14.4% crude protein) for beef steers with a commercially-available condensed tannin extract (CT) at three levels (0...

Warm Pressurant Gas Effects on the Static Bubble Point Pressure for Cryogenic LADs

NASA Technical Reports Server (NTRS)

Hartwig, Jason W.; McQuillen, John; Chato, Daniel J.

2014-01-01

This paper presents experimental results for the liquid hydrogen and nitrogen bubble point tests using warm pressurant gases conducted at the NASA Glenn Research Center. The purpose of the test series was to determine the effect of elevating the temperature of the pressurant gas on the performance of a liquid acquisition device (LAD). Three fine mesh screen samples (325x2300, 450x2750, 510x3600) were tested in liquid hydrogen and liquid nitrogen using cold and warm non-condensable (gaseous helium) and condensable (gaseous hydrogen or nitrogen) pressurization schemes. Gases were conditioned from 0K - 90K above the liquid temperature. Results clearly indicate degradation in bubble point pressure using warm gas, with a greater reduction in performance using condensable over non-condensable pressurization. Degradation in the bubble point pressure is inversely proportional to screen porosity, as the coarsest mesh demonstrated the highest degradation. Results here have implication on both pressurization and LAD system design for all future cryogenic propulsion systems. A detailed review of historical heated gas tests is also presented for comparison to current results.

Condensation Behavior in a Microchannel Heat Exchanger

NASA Astrophysics Data System (ADS)

Kaneko, Akiko; Takeuchi, Genki; Abe, Yutaka; Suzuki, Yutaka

A small and high performance heat exchanger for small size energy equipments such as fuel cells and CO2 heat pumps is required in these days. In author's previous studies, the heat exchanger consisted of microchannels stacked in layers has been developed. It has resistance to pressure of larger than 15 MPa since it is manufactured by diffusion bond technique. Thus this device can be applied for high flow rate and pressure fluctuation conditions as boiling and condensation. The objectives of the present study are to clarify the heat transfer performance of the prototype heat exchanger and to investigate the thermal hydraulic behavior in the microchannel for design optimization of the device. As the results, it is clarified that the present device attained high heat transfer as 7 kW at the steam condensation, despite its weight of only 230 g. Furthermore, steam condensation behavior in a glass capillary tube, as a simulated microchannel, in a cooling water pool was observed with various inlet pressure and temperature of surrounding water. Relation between steam-water two-phase flow structure and the overall heat transfer coefficient is discussed.

Mathematical Modeling of Loop Heat Pipes with Multiple Capillary Pumps and Multiple Condensers. Part 1; Stead State Stimulations

NASA Technical Reports Server (NTRS)

Hoang, Triem T.; OConnell, Tamara; Ku, Jentung

2004-01-01

Loop Heat Pipes (LHPs) have proven themselves as reliable and robust heat transport devices for spacecraft thermal control systems. So far, the LHPs in earth-orbit satellites perform very well as expected. Conventional LHPs usually consist of a single capillary pump for heat acquisition and a single condenser for heat rejection. Multiple pump/multiple condenser LHPs have shown to function very well in ground testing. Nevertheless, the test results of a dual pump/condenser LHP also revealed that the dual LHP behaved in a complicated manner due to the interaction between the pumps and condensers. Thus it is redundant to say that more research is needed before they are ready for 0-g deployment. One research area that perhaps compels immediate attention is the analytical modeling of LHPs, particularly the transient phenomena. Modeling a single pump/single condenser LHP is difficult enough. Only a handful of computer codes are available for both steady state and transient simulations of conventional LHPs. No previous effort was made to develop an analytical model (or even a complete theory) to predict the operational behavior of the multiple pump/multiple condenser LHP systems. The current research project offered a basic theory of the multiple pump/multiple condenser LHP operation. From it, a computer code was developed to predict the LHP saturation temperature in accordance with the system operating and environmental conditions.

Low-temperature Condensation of Carbon

NASA Astrophysics Data System (ADS)

Krasnokutski, S. A.; Goulart, M.; Gordon, E. B.; Ritsch, A.; Jäger, C.; Rastogi, M.; Salvenmoser, W.; Henning, Th.; Scheier, P.

2017-10-01

Two different types of experiments were performed. In the first experiment, we studied the low-temperature condensation of vaporized graphite inside bulk liquid helium, while in the second experiment, we studied the condensation of single carbon atoms together with H2, H2O, and CO molecules inside helium nanodroplets. The condensation of vaporized graphite leads to the formation of partially graphitized carbon, which indicates high temperatures, supposedly higher than 1000°C, during condensation. Possible underlying processes responsible for the instant rise in temperature during condensation are discussed. This suggests that such processes cause the presence of partially graphitized carbon dust formed by low-temperature condensation in the diffuse interstellar medium. Alternatively, in the denser regions of the ISM, the condensation of carbon atoms together with the most abundant interstellar molecules (H2, H2O, and CO), leads to the formation of complex organic molecules (COMs) and finally organic polymers. Water molecules were found not to be involved directly in the reaction network leading to the formation of COMs. It was proposed that COMs are formed via the addition of carbon atoms to H2 and CO molecules ({{C}}+{{{H}}}2\\to {HCH},{HCH}+{CO}\\to {{OCCH}}2). Due to the involvement of molecular hydrogen, the formation of COMs by carbon addition reactions should be more efficient at high extinctions compared with the previously proposed reaction scheme with atomic hydrogen.

Exhaled breath condensate MMP-9 levels in children with bronchiectasis.

PubMed

Karakoc, Gulbin Bingol; Inal, Ayfer; Yilmaz, Mustafa; Altintas, Derya Ufuk; Kendirli, Seval Guneser

2009-10-01

Bronchiectasis (BE) is still an important cause of chronic supurative respiratory diseases in developing countries. Neutrophil-derived proteases such as neutrophil elastase and matrix metalloproteases (MMPs) are implicated in causing airway damage in chronic pulmonary disease. In this study, we aimed to evaluate the MMP-9 and its natural tissue inhibitors of metalloproteinases (TIMP-1) levels utilizing the exhaled breath condensate (EBC) method and their relationship with radiological findings and pulmonary functions in children with BE.Thirty-eight children with BE and 12 healthy children were included: Group 1 (cystic fibrosis [CF] BE), Group 2 (non-CF BE), Group 3 (control group). High-resolution computerized tomography (HRCT) scores were calculated according to the anatomic extent of BE. Pulmonary function tests were performed, and MMP-9 and TIMP-1 levels in EBC were analyzed by ELISA.Exhaled breath condensate MMP-9 level was 48.9 +/- 26.8 ng/ml for Group 1, and for Group 2, 42.8 +/- 18.1 ng/ml; and for Group 3, 30 +/- 3.7 ng/ml. Although no statistically significant difference was found between the Groups 1 and 2, a significant difference was detected between these groups and controls. No statistically significant difference was found in TIMP-1 levels regarding all groups. EBC MMP-9 levels were inversely correlated with pulmonary functions test, and positively with HRCT scores and annual number of pulmonary infections.In conclusion, this study showed that EBC of children with both CF BE and non-CF BE contained higher levels of MMP-9 in comparison to controls. We suggest that EBC MMP-9 level may be a useful marker of airway injury in patients with BE however prospective studies are needed.

Ejectors of power plants turbine units efficiency and reliability increasing

NASA Astrophysics Data System (ADS)

Aronson, K. E.; Ryabchikov, A. Yu.; Kuptsov, V. K.; Murmanskii, I. B.; Brodov, Yu. M.; Zhelonkin, N. V.; Khaet, S. I.

2017-11-01

The functioning of steam turbines condensation systems influence on the efficiency and reliability of a power plant a lot. At the same time, the condensation system operating is provided by basic ejectors, which maintain the vacuum level in the condenser. Development of methods of efficiency and reliability increasing for ejector functioning is an actual problem of up-to-date power engineering. In the paper there is presented statistical analysis of ejector breakdowns, revealed during repairing processes, the influence of such damages on the steam turbine operating reliability. It is determined, that 3% of steam turbine equipment breakdowns are the ejector breakdowns. At the same time, about 7% of turbine breakdowns are caused by different ejector malfunctions. Developed and approved design solutions, which can increase the ejector functioning indexes, are presented. Intercoolers are designed in separated cases, so the air-steam mixture can’t move from the high-pressure zones to the low-pressure zones and the maintainability of the apparatuses is increased. By U-type tubes application, the thermal expansion effect of intercooler tubes is compensated and the heat-transfer area is increased. By the applied nozzle fixing construction, it is possible to change the distance between a nozzle and a mixing chamber (nozzle exit position) for operating performance optimization. In operating conditions there are provided experimental researches of more than 30 serial ejectors and also high-efficient 3-staged ejector EPO-3-80, designed by authors. The measurement scheme of the designed ejector includes 21 indicator. The results of experimental tests with different nozzle exit positions of the ejector EPO-3-80 stream devices are presented. The pressure of primary stream (water steam) is optimized. Experimental data are well-approved by the calculation results.

40 CFR 63.446 - Standards for kraft pulping process condensates.

Code of Federal Regulations, 2012 CFR

2012-07-01

... prorated mass standard that is calculated by prorating the applicable mass standards (kilograms of total... 40 Protection of Environment 10 2012-07-01 2012-07-01 false Standards for kraft pulping process... PROGRAMS (CONTINUED) NATIONAL EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS FOR SOURCE CATEGORIES...

40 CFR 63.446 - Standards for kraft pulping process condensates.

Code of Federal Regulations, 2011 CFR

2011-07-01

... prorated mass standard that is calculated by prorating the applicable mass standards (kilograms of total... 40 Protection of Environment 9 2011-07-01 2011-07-01 false Standards for kraft pulping process... PROGRAMS (CONTINUED) NATIONAL EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS FOR SOURCE CATEGORIES...

40 CFR 63.446 - Standards for kraft pulping process condensates.

Code of Federal Regulations, 2010 CFR

2010-07-01

... prorated mass standard that is calculated by prorating the applicable mass standards (kilograms of total... 40 Protection of Environment 9 2010-07-01 2010-07-01 false Standards for kraft pulping process... PROGRAMS (CONTINUED) NATIONAL EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS FOR SOURCE CATEGORIES...

MPACT Subgroup Self-Shielding Efficiency Improvements

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

Stimpson, Shane; Liu, Yuxuan; Collins, Benjamin S.

Recent developments to improve the efficiency of the MOC solvers in MPACT have yielded effective kernels that loop over several energy groups at once, rather that looping over one group at a time. These kernels have produced roughly a 2x speedup on the MOC sweeping time during eigenvalue calculation. However, the self-shielding subgroup calculation had not been reevaluated to take advantage of these new kernels, which typically requires substantial solve time. The improvements covered in this report start by integrating the multigroup kernel concepts into the subgroup calculation, which are then used as the basis for further extensions. The nextmore » improvement that is covered is what is currently being termed as “Lumped Parameter MOC”. Because the subgroup calculation is a purely fixed source problem and multiple sweeps are performed only to update the boundary angular fluxes, the sweep procedure can be condensed to allow for the instantaneous propagation of the flux across a spatial domain, without the need to sweep along all segments in a ray. Once the boundary angular fluxes are considered to be converged, an additional sweep that will tally the scalar flux is completed. The last improvement that is investigated is the possible reduction of the number of azimuthal angles per octant in the shielding sweep. Typically 16 azimuthal angles per octant are used for self-shielding and eigenvalue calculations, but it is possible that the self-shielding sweeps are less sensitive to the number of angles than the full eigenvalue calculation.« less

The volumetric fraction of inorganic particles and the flexural strength of composites for posterior teeth.

PubMed

Adabo, Gelson Luis; dos Santos Cruz, Carlos Alberto; Fonseca, Renata Garcia; Vaz, Luís Geraldo

2003-07-01

To evaluate the content of inorganic particles and the flexural strength of new condensable composites for posterior teeth in comparison to hybrid conventional composites. The determination of the content of inorganic particles was performed by mass weighing of a polymerized composite before and after the elimination of the organic phase. The volumetric particle content was determined by a practical method based on Archimedes' principle, which calculates the volume of the composite and their particles by differential mass measured in the air and in water. The flexural strength of three points was evaluated according to the norm ISO 4049:1988. The results showed the following filler content: Alert, 67.26%; Z-100, 65.27%; Filtek P 60, 62.34%; Ariston pHc, 64.07%; Tetric Ceram, 57.22%; Definite, 54.42%; Solitaire, 47.76%. In the flexural strength test, the materials presented the following decreasing order of resistance: Filtek P 60 (170.02 MPa)>Z-100 (151.34 MPa)>Tetric Ceram (126.14 MPa)=Alert (124.89 MPa)>Ariston pHc (102.00 MPa)=Definite (93.63 MPa)>Solitaire (56.71 MPa). New condensable composites for posterior teeth present a concentration of inorganic particles similar to those of hybrid composites but do not necessarily present higher flexural strength.

Accelerating activity coefficient calculations using multicore platforms, and profiling the energy use resulting from such calculations.

NASA Astrophysics Data System (ADS)

Topping, David; Alibay, Irfan; Bane, Michael

2017-04-01

To predict the evolving concentration, chemical composition and ability of aerosol particles to act as cloud droplets, we rely on numerical modeling. Mechanistic models attempt to account for the movement of compounds between the gaseous and condensed phases at a molecular level. This 'bottom up' approach is designed to increase our fundamental understanding. However, such models rely on predicting the properties of molecules and subsequent mixtures. For partitioning between the gaseous and condensed phases this includes: saturation vapour pressures; Henrys law coefficients; activity coefficients; diffusion coefficients and reaction rates. Current gas phase chemical mechanisms predict the existence of potentially millions of individual species. Within a dynamic ensemble model, this can often be used as justification for neglecting computationally expensive process descriptions. Indeed, on whether we can quantify the true sensitivity to uncertainties in molecular properties, even at the single aerosol particle level it has been impossible to embed fully coupled representations of process level knowledge with all possible compounds, typically relying on heavily parameterised descriptions. Relying on emerging numerical frameworks, and designed for the changing landscape of high-performance computing (HPC), in this study we focus specifically on the ability to capture activity coefficients in liquid solutions using the UNIFAC method. Activity coefficients are often neglected with the largely untested hypothesis that they are simply too computationally expensive to include in dynamic frameworks. We present results demonstrating increased computational efficiency for a range of typical scenarios, including a profiling of the energy use resulting from reliance on such computations. As the landscape of HPC changes, the latter aspect is important to consider in future applications.

Calculation of Hugoniot properties for shocked nitromethane based on the improved Tsien's EOS

NASA Astrophysics Data System (ADS)

Zhao, Bo; Cui, Ji-Ping; Fan, Jing

2010-06-01

We have calculated the Hugoniot properties of shocked nitromethane based on the improved Tsien’s equation of state (EOS) that optimized by “exact” numerical molecular dynamic data at high temperatures and pressures. Comparison of the calculated results of the improved Tsien’s EOS with the existed experimental data and the direct simulations show that the behavior of the improved Tsien’s EOS is very good in many aspects. Because of its simple analytical form, the improved Tsien’s EOS can be prospectively used to study the condensed explosive detonation coupling with chemical reaction.

Bose–Einstein condensates and scalar fields; exploring the similitudes

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

Castellanos, E.; Macías, A.; Núñez, D.

We analyze the the remarkable analogy between the classical Klein–Gordon equation for a test scalar field in a flat and also in a curved background, and the Gross–Pitaevskii equation for a Bose–Einstein condensate trapped by an external potential. We stress here that the solution associated with the Klein–Gordon equation (KG) in a flat space time has the same mathematical structure, under certain circumstances, to those obtained for the Gross–Pitaevskii equation, that is, a static soliton solution. Additionally, Thomas–Fermi approximation is applied to the 3–dimensional version of this equation, in order to calculate some thermodynamical properties of the system in curvedmore » a space–time back ground. Finally, we stress the fact that a gravitational background provides, in some cases, a kind of confining potential for the scalar field, allowing us to remarks even more the possible connection between scalar fields and the phenomenon of Bose–Einstein condensation.« less

The reduced space Sequential Quadratic Programming (SQP) method for calculating the worst resonance response of nonlinear systems

NASA Astrophysics Data System (ADS)

Liao, Haitao; Wu, Wenwang; Fang, Daining

2018-07-01

A coupled approach combining the reduced space Sequential Quadratic Programming (SQP) method with the harmonic balance condensation technique for finding the worst resonance response is developed. The nonlinear equality constraints of the optimization problem are imposed on the condensed harmonic balance equations. Making use of the null space decomposition technique, the original optimization formulation in the full space is mathematically simplified, and solved in the reduced space by means of the reduced SQP method. The transformation matrix that maps the full space to the null space of the constrained optimization problem is constructed via the coordinate basis scheme. The removal of the nonlinear equality constraints is accomplished, resulting in a simple optimization problem subject to bound constraints. Moreover, second order correction technique is introduced to overcome Maratos effect. The combination application of the reduced SQP method and condensation technique permits a large reduction of the computational cost. Finally, the effectiveness and applicability of the proposed methodology is demonstrated by two numerical examples.

Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations.

PubMed

Salvalaglio, Matteo; Tiwary, Pratyush; Maggioni, Giovanni Maria; Mazzotti, Marco; Parrinello, Michele

2016-12-07

Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic supersaturation conditions condensation occurs on time scales that far exceed what can be reached with conventional molecular dynamics methods. Another known problem in this context is the distortion of the free energy profile associated to nucleation due to the small, finite size of typical simulation boxes. In this work the problem of time scale is addressed with a recently developed enhanced sampling method while contextually correcting for finite size effects. We demonstrate our approach by studying the condensation of argon, and showing that characteristic nucleation times of the order of magnitude of hours can be reliably calculated. Nucleation rates spanning a range of 10 orders of magnitude are computed at moderate supersaturation levels, thus bridging the gap between what standard molecular dynamics simulations can do and real physical systems.

Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations

NASA Astrophysics Data System (ADS)

Salvalaglio, Matteo; Tiwary, Pratyush; Maggioni, Giovanni Maria; Mazzotti, Marco; Parrinello, Michele

2016-12-01

Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic supersaturation conditions condensation occurs on time scales that far exceed what can be reached with conventional molecular dynamics methods. Another known problem in this context is the distortion of the free energy profile associated to nucleation due to the small, finite size of typical simulation boxes. In this work the problem of time scale is addressed with a recently developed enhanced sampling method while contextually correcting for finite size effects. We demonstrate our approach by studying the condensation of argon, and showing that characteristic nucleation times of the order of magnitude of hours can be reliably calculated. Nucleation rates spanning a range of 10 orders of magnitude are computed at moderate supersaturation levels, thus bridging the gap between what standard molecular dynamics simulations can do and real physical systems.

Fractionation in the solar nebula. II - Condensation of Th, U, Pu and Cm

NASA Technical Reports Server (NTRS)

Boynton, W. V.

1978-01-01

Reasonable assumptions concerning activity coefficients allow the calculation of the relative volatility of the actinide elements under conditions expected during the early history of the solar system. Several of the light rare earths have volatilities similar to Pu and Cm and can be used as indicators of the degree of fractionation of these extinct elements. Uranium is considerably more volatile than either Pu or Cm, leading to fractionations of about a factor of 50 and 90 in the Pu/U and Cm/U ratio in the earliest condensates from the solar nebula. Ca,Al-rich inclusions from the Allende meteorite, including the coarse-grained inclusions, have a depletion of U relative to La of about a factor of three, suggesting that these inclusions may have been isolated from the nebular gas before condensation of U was complete. The inclusions, however, can be used to determine solar Pu/U and Cm/U ratios if the rare earth patterns are determined in addition to the other normal measurements.

Volatility dependence of Henry's law constants of condensable organics: Application to estimate depositional loss of secondary organic aerosols

NASA Astrophysics Data System (ADS)

Hodzic, A.; Aumont, B.; Knote, C.; Lee-Taylor, J.; Madronich, S.; Tyndall, G.

2014-07-01

The water solubility of oxidation intermediates of volatile organic compounds that can condense to form secondary organic aerosol (SOA) is largely unconstrained in current chemistry-climate models. We apply the Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere to calculate Henry's law constants for these intermediate species. Results show a strong negative correlation between Henry's law constants and saturation vapor pressures. Details depend on precursor species, extent of photochemical processing, and NOx levels. Henry's law constants as a function of volatility are made available over a wide range of vapor pressures for use in 3-D models. In an application using the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) over the U.S. in summer, we find that dry (and wet) deposition of condensable organic vapors leads to major reductions in SOA, decreasing surface concentrations by ~50% (10%) for biogenic and ~40% (6%) for short chain anthropogenic precursors under the considered volatility conditions.

Implications for the Daily Variation and the Low Value of Thermal Inertia at Arabia Terra on Mars

NASA Astrophysics Data System (ADS)

Toyota, T.; Saruya, T.; Kurita, K.

2010-12-01

Active nature of the Martian surface is considered to be responsible for various styles of the atmosphere-surface interaction. Here, we propose an idea to interpret the daily variation and the low value of thermal inertia at Arabia Terra on Mars. Thermal inertia calculated with the surface temperature obtained by remote sensing exhibits daily variation and seasonal variation. Putzig and Mellon [1] suggested that horizontal or vertical heterogeneity may yield apparent thermal inertia which varies with time of day and season. However, their interpretation couldn’t completely explain the extent and the phase of the temporal variation of thermal inertia at Arabia Terra. We would like to propose another possibility to explain the characteristics of the thermal inertia at Arabia Terra. In addition, the value of thermal inertia is extremely low at Arabia Terra. Daytime thermal inertia at Arabia Terra is as low as 20 tiu [1,2], which is lower than the value of thermal inertia of 1 micron dust aggregates ( 61 tiu [3]). To explain these characteristics of Arabia Terra, we proposed an idea that condensation and sublimation of water ice at the granular surface cause the daily variation and the low value of the thermal inertia at Arabia Terra. At nighttime, water vapor condenses at the surface. Immediately after sunrise, water ice at the surface sublimates. Electric force and sublimating gas pressure could affect the porosity of the surface. We suppose that the daily variation of the thermal inertia is caused by presence of deposition/removal of water ice and the low value of the thermal inertia is caused by the higher value of the bulk porosity than random close packing. To substantiate the above model, there remain four main questions to be answered. 1) Is there sufficient water vapor at the atmosphere above Arabia Terra?, 2) Does the sufficient amount of water condense at the surface during the night?, 3) Can water vapor and other factors make the surface porosity higher? and 4) How much does the higher value of the porosity make the bulk thermal inertia lower? We investigated previous studies for question 1) and performed a numerical simulation for the sublimation/condensation of water ice for question 2). We also performed laboratory experiments to investigate question 3) and 4). We obtained results which showed 1) There are sufficient water vapor at the atmosphere above Arabia Terra, 2) It is difficult for the sufficient amount of water vapor to condense at the surface during the night in our numerical model with limited parameters, 3) Condensation/sublimation of water ice and other mechanical effects could affect the bulk porosity at the surface, and 4) The high value of the porosity make the bulk thermal inertia lower by factor of two. References [1] N. E. Putzig and M. T. Mellon, Icarus 191, 68 (2007). [2] T. Saruya, T. Toyota, D. Baratoux, and K. Kurita, 41th LPSC, 1306 (2010) [3] M. T. Mellon, R. L. Fergason, and N. E. Putzig, The Martian Surface, Cambridge University Press. (2008). [4] M. A. Presley1 and R. A. Craddock, Jour. Geophys. Res. 111, E09013 (2006).

Investigation of Condensing Ice Heat Exchangers for MTSA Technology Development

NASA Technical Reports Server (NTRS)

Padilla, Sebastian; Powers, Aaron; Ball, Tyler; Iacomini, Christie; Paul, Heather, L.

2008-01-01

Metabolic heat regenerated Temperature Swing Adsorption (MTSA) technology is being developed for thermal, carbon dioxide (CO2) and humidity control for a Portable Life Support Subsystem (PLSS). Metabolically-produced CO2 present in the ventilation gas of a PLSS is collected using a CO2selective adsorbent via temperature swing adsorption. The temperature swing is initiated through cooling to well below metabolic temperatures. Cooling is achieved with a sublimation heat exchanger using water or liquid carbon dioxide (LCO2) expanded below sublimation temperature when exposed to low pressure or vacuum. Subsequent super heated vapor, as well as additional coolant, is used to further cool the astronaut. The temperature swing on the adsorbent is then completed by warming the adsorbent with a separate condensing ice heat exchanger (CIHX) using metabolic heat from moist ventilation gas. The condensed humidity in the ventilation gas is recycled at the habitat. The water condensation from the ventilation gas is a significant heat transfer mechanism for the warming of the adsorbent bed because it represents as much as half of the energy potential in the moist ventilation gas. Designing a heat exchanger to efficiently transfer this energy to the adsorbent bed and allow the collection of the water is a challenge since the CIHX will operate in a temperature range from 210K to 280K. The ventilation gas moisture will first freeze and then thaw, sometimes existing in three phases simultaneously. A NASA Small Business Innovative Research (SBIR) Phase 1 contract was performed to investigate condensing and icing as applied to MTSA to enable higher fidelity modeling and assess the impact of geometry variables on CIHX performance for future CIHX design optimization. Specifically, a design tool was created using analytical relations to explore the complex, interdependent design space of a condensing ice heat exchanger. Numerous variables were identified as having nontrivial contributions to performance such as hydraulic diameter, heat exchanger effectiveness, ventilation gas mass flow rate and surface roughness. Using this tool, four test articles were designed and manufactured to map to a full MTSA subassembly (the adsorbent bed, the sublimation heat exchanger for cooling and the condensing ice heat exchanger for warming). The design mapping considered impacts due to CIHX geometry as well as subassembly impacts such as thermal mass and thermal resistance through the adsorbent bed. The test articles were tested at simulated PLSS ventilation loop temperature, moisture content and subambient pressure. Ice accumulation and melting were observed. Data and test observations were analyzed to identify drivers of the condensing ice heat exchanger performance. This paper will discuss the analytical models, the test article designs, and testing procedures. Testing issues will be discussed to better describe data and share lessons learned. Data analysis and subsequent conclusions will be presented.

Modeling acid-gas generation from boiling chloride brines

PubMed Central

2009-01-01

Background This study investigates the generation of HCl and other acid gases from boiling calcium chloride dominated waters at atmospheric pressure, primarily using numerical modeling. The main focus of this investigation relates to the long-term geologic disposal of nuclear waste at Yucca Mountain, Nevada, where pore waters around waste-emplacement tunnels are expected to undergo boiling and evaporative concentration as a result of the heat released by spent nuclear fuel. Processes that are modeled include boiling of highly concentrated solutions, gas transport, and gas condensation accompanied by the dissociation of acid gases, causing low-pH condensate. Results Simple calculations are first carried out to evaluate condensate pH as a function of HCl gas fugacity and condensed water fraction for a vapor equilibrated with saturated calcium chloride brine at 50-150°C and 1 bar. The distillation of a calcium-chloride-dominated brine is then simulated with a reactive transport model using a brine composition representative of partially evaporated calcium-rich pore waters at Yucca Mountain. Results show a significant increase in boiling temperature from evaporative concentration, as well as low pH in condensates, particularly for dynamic systems where partial condensation takes place, which result in enrichment of HCl in condensates. These results are in qualitative agreement with experimental data from other studies. Conclusion The combination of reactive transport with multicomponent brine chemistry to study evaporation, boiling, and the potential for acid gas generation at the proposed Yucca Mountain repository is seen as an improvement relative to previously applied simpler batch evaporation models. This approach allows the evaluation of thermal, hydrological, and chemical (THC) processes in a coupled manner, and modeling of settings much more relevant to actual field conditions than the distillation experiment considered. The actual and modeled distillation experiments do not represent expected conditions in an emplacement drift, but nevertheless illustrate the potential for acid-gas generation at moderate temperatures (<150°C). PMID:19917082

Temperature Dependence of the Thermal Conductivity of a Trapped Dipolar Bose-Condensed Gas

NASA Astrophysics Data System (ADS)

Yavari, H.

2018-02-01

The thermal conductivity of a trapped dipolar Bose condensed gas is calculated as a function of temperature in the framework of linear response theory. The contributions of the interactions between condensed and noncondensed atoms and between noncondensed atoms in the presence of both contact and dipole-dipole interactions are taken into account to the thermal relaxation time, by evaluating the self-energies of the system in the Beliaev approximation. We will show that above the Bose-Einstein condensation temperature ( T > T BEC ) in the absence of dipole-dipole interaction, the temperature dependence of the thermal conductivity reduces to that of an ideal Bose gas. In a trapped Bose-condensed gas for temperature interval k B T << n 0 g B , E p << k B T ( n 0 is the condensed density and g B is the strength of the contact interaction), the relaxation rates due to dipolar and contact interactions between condensed and noncondensed atoms change as {τ}_{dd12}^{-1}∝ {e}^{-E/{k}_BT} and τ c12 ∝ T -5, respectively, and the contact interaction plays the dominant role in the temperature dependence of the thermal conductivity, which leads to the T -3 behavior of the thermal conductivity. In the low-temperature limit, k B T << n 0 g B , E p >> k B T, since the relaxation rate {τ}_{c12}^{-1} is independent of temperature and the relaxation rate due to dipolar interaction goes to zero exponentially, the T 2 temperature behavior for the thermal conductivity comes from the thermal mean velocity of the particles. We will also show that in the high-temperature limit ( k B T > n 0 g B ) and low momenta, the relaxation rates {τ}_{c12}^{-1} and {τ}_{dd12}^{-1} change linearly with temperature for both dipolar and contact interactions and the thermal conductivity scales linearly with temperature.

Method and apparatus for high-efficiency direct contact condensation

DOEpatents

Bharathan, D.; Parent, Y.; Hassani, A.V.

1999-07-20

A direct contact condenser having a downward vapor flow chamber and an upward vapor flow chamber, wherein each of the vapor flow chambers includes a plurality of cooling liquid supplying pipes and a vapor-liquid contact medium disposed thereunder to facilitate contact and direct heat exchange between the vapor and cooling liquid. The contact medium includes a plurality of sheets arranged to form vertical interleaved channels or passageways for the vapor and cooling liquid streams. The upward vapor flow chamber also includes a second set of cooling liquid supplying pipes disposed beneath the vapor-liquid contact medium which operate intermittently in response to a pressure differential within the upward vapor flow chamber. The condenser further includes separate wells for collecting condensate and cooling liquid from each of the vapor flow chambers. In alternate embodiments, the condenser includes a cross-current flow chamber and an upward flow chamber, a plurality of upward flow chambers, or a single upward flow chamber. The method of use of the direct contact condenser of this invention includes passing a vapor stream sequentially through the downward and upward vapor flow chambers, where the vapor is condensed as a result of heat exchange with the cooling liquid in the contact medium. The concentration of noncondensable gases in the resulting condensate-liquid mixtures can be minimized by controlling the partial pressure of the vapor, which depends in part upon the geometry of the vapor-liquid contact medium. In another aspect of this invention, the physical and chemical performance of a direct contact condenser can be predicted based on the vapor and coolant compositions, the condensation conditions, and the geometric properties of the contact medium. 39 figs.

Method and apparatus for high-efficiency direct contact condensation

DOEpatents

Bharathan, Desikan; Parent, Yves; Hassani, A. Vahab

1999-01-01

A direct contact condenser having a downward vapor flow chamber and an upward vapor flow chamber, wherein each of the vapor flow chambers includes a plurality of cooling liquid supplying pipes and a vapor-liquid contact medium disposed thereunder to facilitate contact and direct heat exchange between the vapor and cooling liquid. The contact medium includes a plurality of sheets arranged to form vertical interleaved channels or passageways for the vapor and cooling liquid streams. The upward vapor flow chamber also includes a second set of cooling liquid supplying pipes disposed beneath the vapor-liquid contact medium which operate intermittently in response to a pressure differential within the upward vapor flow chamber. The condenser further includes separate wells for collecting condensate and cooling liquid from each of the vapor flow chambers. In alternate embodiments, the condenser includes a cross-current flow chamber and an upward flow chamber, a plurality of upward flow chambers, or a single upward flow chamber. The method of use of the direct contact condenser of this invention includes passing a vapor stream sequentially through the downward and upward vapor flow chambers, where the vapor is condensed as a result of heat exchange with the cooling liquid in the contact medium. The concentration of noncondensable gases in the resulting condensate-liquid mixtures can be minimized by controlling the partial pressure of the vapor, which depends in part upon the geometry of the vapor-liquid contact medium. In another aspect of this invention, the physical and chemical performance of a direct contact condenser can be predicted based on the vapor and coolant compositions, the condensation conditions. and the geometric properties of the contact medium.

Numerical studies on the performance of a flow distributor in tank

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

Shin, Soo Jai, E-mail: shinsoojai@kaeri.re.kr; Kim, Young In; Ryu, Seungyeob

2015-03-10

Flow distributors are generally observed in several nuclear power plants. During core make-up tank (CMT) injection into the reactor, the condensation and thermal stratification are observed in the CMT, and rapid condensation disturbs the injection operation. To reduce the condensation phenomena in the tank, CMT was equipped with a flow distributor. The optimal design of the flow distributor is very important to ensure the structural integrity the CMT and its safe operation during certain transient or accident conditions. In the present study, we numerically investigated the performance of a flow distributor in tank with different shape factors such as themore » total number of holes, pitch-to-hole diameter ratios, diameter of the hole, and the area ratios. These data will contribute to a design of the flow distributor.« less

Post impact behavior of mobile reactor core containment systems

NASA Technical Reports Server (NTRS)

Puthoff, R. L.; Parker, W. G.; Vanbibber, L. E.

1972-01-01

The reactor core containment vessel temperatures after impact, and the design variables that affect the post impact survival of the system are analyzed. The heat transfer analysis includes conduction, radiation, and convection in addition to the core material heats of fusion and vaporization under partially burial conditions. Also, included is the fact that fission products vaporize and transport radially outward and condense outward and condense on cooler surfaces, resulting in a moving heat source. A computer program entitled Executive Subroutines for Afterheat Temperature Analysis (ESATA) was written to consider this complex heat transfer analysis. Seven cases were calculated of a reactor power system capable of delivering up to 300 MW of thermal power to a nuclear airplane.

Track-structure simulations for charged particles.

PubMed

Dingfelder, Michael

2012-11-01

Monte Carlo track-structure simulations provide a detailed and accurate picture of radiation transport of charged particles through condensed matter of biological interest. Liquid water serves as a surrogate for soft tissue and is used in most Monte Carlo track-structure codes. Basic theories of radiation transport and track-structure simulations are discussed and differences compared to condensed history codes highlighted. Interaction cross sections for electrons, protons, alpha particles, and light and heavy ions are required input data for track-structure simulations. Different calculation methods, including the plane-wave Born approximation, the dielectric theory, and semi-empirical approaches are presented using liquid water as a target. Low-energy electron transport and light ion transport are discussed as areas of special interest.

Nature of the chiral restoration transition in QCD

NASA Astrophysics Data System (ADS)

Brown, Gerald E.; Grandchamp, Loı̈c.; Lee, Chang-Hwan; Rho, Mannque

2004-03-01

As the chirally restored phase ends with T coming down to Tc, a phase resembling a mixed phase is realized, during which the hadrons (which are massless at Tc in the chiral limit) get their masses back out of their kinetic energy. The gluon condensation energy is fed into the system to keep the temperature (nearly) constant. Lattice results for the gluon condensation are matched by a Nambu-Jona-Lasinio calculation. The latter shows that below Tc the chiral symmetry is barely broken, so that with an ˜6% drop in the scalar coupling G it is restored at Tc. Nearly half of the glue, which we call epoxy, is not melted at Tc.

Analysis of Multicomponent Adsorption Close to a Dew Point.

PubMed

Shapiro; Stenby

1998-10-15

We develop the potential theory of multicomponent adsorption close to a dew point. The approach is based on an asymptotic adsorption equation (AAE) which is valid in a vicinity of the dew point. By this equation the thickness of the liquid film is expressed through thermodynamic characteristics of the bulk phase. The AAE makes it possible to study adsorption in the regions of both the normal and the retrograde condensation. A simple correlation of the Kelvin radius for capillary condensation and the thickness of the adsorbed film is established. Numerical testing shows good agreement between the AAE and the direct calculations, even if the mixture is not close to a dew point. Copyright 1998 Academic Press.