Performance of greenhouse gas profiling by infrared-laser and microwave occultation in cloudy air

NASA Astrophysics Data System (ADS)

Proschek, V.; Kirchengast, G.; Emde, C.; Schweitzer, S.

2012-12-01

ACCURATE is a proposed future satellite mission enabling simultaneous measurements of greenhouse gases (GHGs), wind and thermodynamic variables from Low Earth Orbit (LEO). The measurement principle is a combination of LEO-LEO infrared-laser occultation (LIO) and microwave occultation (LMO), the LMIO method, where the LIO signals are very sensitive to clouds. The GHG retrieval will therefore be strongly influenced by clouds in parts of the troposphere. The IR-laser signals, at wavelengths within 2--2.5μ m, are chosen to measure six GHGs (H2O, CO2, CH4, N2O, O3, CO; incl.~key isotopes 13CO2, C18OO, HDO). The LMO signals enable to co-measure the thermodynamic variables. In this presentation we introduce the algorithm to retrieve GHG profiles under cloudy-air conditions by using quasi-realistic forward simulations, including also influence of Rayleigh scattering, scintillations and aerosols. Data from CALIPSO--Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations--with highest vertical resolution of about 60 m and horizontal resolution of about 330 m were used for simulation of clouds. The IR-laser signals consist for each GHG of a GHG-sensitive and a close-by reference signal. The key process, ``differencing'' of these two signals, removes the atmospheric ``broadband'' effects, resulting in a pure GHG transmission profile. Very thin ice clouds, like sub-visible cirrus, are fairly transparent to the IR-laser signals, thicker and liquid water clouds block the signals. The reference signal is used to produce a cloud layering profile from zero to blocking clouds and is smoothed in a preprocess to suppress scintillations. Sufficiently small gaps, of width <2 km in the cloud layering profile, are found to enable a decent retrieval of entire GHG profiles over the UTLS under broken cloudiness and are therefore bridged by interpolation. Otherwise in case of essentially continuous cloudiness the profiles are found to terminate at cloud top level. The accuracy of

Influence of metallic vapours on thermodynamic and transport properties of two-temperature air plasma

NASA Astrophysics Data System (ADS)

Zhong, Linlin; Wang, Xiaohua; Cressault, Yann; Teulet, Philippe; Rong, Mingzhe

2016-09-01

The metallic vapours (i.e., copper, iron, and silver in this paper) resulting from walls and/or electrode surfaces can significantly affect the characteristics of air plasma. Different from the previous works assuming local thermodynamic equilibrium, this paper investigates the influence of metallic vapours on two-temperature (2 T) air plasma. The 2 T compositions of air contaminated by Cu, Fe, and Ag are first determined based on Saha's and Guldberg-Waage's laws. The thermodynamic properties (including mass density, specific enthalpy, and specific heat) are then calculated according to their definitions. After determining the collision integrals for each pair of species in air-metal mixtures using the newly published methods and source data, the transport coefficients (including electrical conductivity, viscosity, and thermal conductivity) are calculated for air-Cu, air-Fe, and air-Ag plasmas with different non-equilibrium degree θ (Te/Th). The influences of metallic contamination as well as non-equilibrium degree are discussed. It is found that copper, iron, and silver exist mainly in the form of Cu2, FeO, and AgO at low temperatures. Generally, the metallic vapours increase mass density at most temperatures, reduce the specific enthalpy and specific heat in the whole temperature range, and affect the transport properties remarkably from 5000 K to 20 000 K. The effect arising from the type of metals is little except for silver at certain temperatures. Besides, the departure from thermal equilibrium results in the delay of dissociation and ionization reactions, leading to the shift of thermodynamic and transport properties towards a higher temperature.

WETAIR: A computer code for calculating thermodynamic and transport properties of air-water mixtures

NASA Technical Reports Server (NTRS)

Fessler, T. E.

1979-01-01

A computer program subroutine, WETAIR, was developed to calculate the thermodynamic and transport properties of air water mixtures. It determines the thermodynamic state from assigned values of temperature and density, pressure and density, temperature and pressure, pressure and entropy, or pressure and enthalpy. The WETAIR calculates the properties of dry air and water (steam) by interpolating to obtain values from property tables. Then it uses simple mixing laws to calculate the properties of air water mixtures. Properties of mixtures with water contents below 40 percent (by mass) can be calculated at temperatures from 273.2 to 1497 K and pressures to 450 MN/sq m. Dry air properties can be calculated at temperatures as low as 150 K. Water properties can be calculated at temperatures to 1747 K and pressures to 100 MN/sq m. The WETAIR is available in both SFTRAN and FORTRAN.

An Investigation of Applications for Thermodynamic Work Potential Methods: Working Tables and Charts for Estimation of Thermodynamic Work Potential in Equilibrium Mixtures of Jet-A and Air

NASA Technical Reports Server (NTRS)

Mavris, Dimitri; Roth, Bryce; McDonald, Rob

2002-01-01

The objective of this report is to provide a tool to facilitate the application of thermodynamic work potential methods to aircraft and engine analysis. This starts with a discussion of the theoretical background underlying these methods, which is then used to derive various equations useful for thermodynamic analysis of aircraft engines. The work potential analysis method is implemented in the form of a set of working charts and tables that can be used to graphically evaluate work potential stored in high-enthalpy gas. The range of validity for these tables is 300 to 36,000 R, pressures between between 0.01 atm and 100 atm, and fuel-air ratios from zero to stoichiometric. The derivations and charts assume mixtures of Jet-A and air as the working fluid. The thermodynamic properties presented in these charts were calculated based upon standard thermodynamic curve fits.

Impact of AIRS Thermodynamic Profiles on Precipitation Forecasts for Atmospheric River Cases Affecting the Western United States

NASA Technical Reports Server (NTRS)

Zavodsky, Bradley T.; Jedlovec, Gary J.; Blakenship, Clay B.; Wick, Gary A.; Neiman, Paul J.

2013-01-01

This project is a collaborative activity between the NASA Short-term Prediction Research and Transition (SPoRT) Center and the NOAA Hydrometeorology Testbed (HMT) to evaluate a SPoRT Advanced Infrared Sounding Radiometer (AIRS: Aumann et al. 2003) enhanced moisture analysis product. We test the impact of assimilating AIRS temperature and humidity profiles above clouds and in partly cloudy regions, using the three-dimensional variational Gridpoint Statistical Interpolation (GSI) data assimilation (DA) system (Developmental Testbed Center 2012) to produce a new analysis. Forecasts of the Weather Research and Forecasting (WRF) model initialized from the new analysis are compared to control forecasts without the additional AIRS data. We focus on some cases where atmospheric rivers caused heavy precipitation on the US West Coast. We verify the forecasts by comparison with dropsondes and the Cooperative Institute for Research in the Atmosphere (CIRA) Blended Total Precipitable Water product.

Direct computation of thermodynamic properties of chemically reacting air with consideration to CFD

NASA Astrophysics Data System (ADS)

Iannelli, Joe

2003-10-01

This paper details a two-equation procedure to calculate exactly mass and mole fractions, pressure, temperature, specific heats, speed of sound and the thermodynamic and jacobian partial derivatives of pressure and temperature for a five-species chemically reacting equilibrium air. The procedure generates these thermodynamic properties using as independent variables either pressure and temperature or density and internal energy, for CFD applications. An original element in this procedure consists in the exact physically meaningful solution of the mass-fraction and mass-action equations. Air-equivalent molecular masses for oxygen and nitrogen are then developed to account, within a mixture of only oxygen and nitrogen, for the presence of carbon dioxide, argon and the other noble gases within atmospheric air. The mathematical formulation also introduces a versatile system non-dimensionalization that makes the procedure uniformly applicable to flows ranging from shock-tube flows with zero initial velocity to aerothermodynamic flows with supersonic/hypersonic free-stream Mach numbers. Over a temperature range of more than 10000 K and pressure and density ranges corresponding to an increase in altitude in standard atmosphere of 30000 m above sea level, the predicted distributions of mole fractions, constant-volume specific heat, and speed of sound for the model five species agree with independently published results, and all the calculated thermodynamic properties, including their partial derivatives, remain continuous, smooth, and physically meaningful.

Demonstrating the Operational Value of Atmospheric Infrared Sounder (AIRS) Retrieved Profiles in the Pre-Convective Environment

NASA Technical Reports Server (NTRS)

Kozlowski, Danielle M.; Zavodsky, T.; Jedloved, Gary J.

2011-01-01

thermodynamic structure of the atmosphere in the pre-convective and convective environment. CAPE is an important metric because of it is a quantitative measure of atmospheric stability, which is necessary information when forecasting for convective weather. Case studies from the summer of 2010 were examined, and most impact from the AIRS retrieved profiles occurred over the data-void Gulf of Mexico with fields of convective potential closer to the RUC than the CNTL. Mixed results were found when AIRS retrieved profiles were used over land, so more cases need to be examined to determine whether AIRS would be an effective tool over land. Additional analyses of problematic convective forecasts over the Gulf Coast will be needed to determine the operational impact of AIRS. SPoRT eventually plans to transition the AIRS product to select Weather Forecast Office (WFO) partners, pending the outcome of these additional analyses.

Cosmology and astrophysics from relaxed galaxy clusters - III. Thermodynamic profiles and scaling relations

NASA Astrophysics Data System (ADS)

Mantz, A. B.; Allen, S. W.; Morris, R. G.; Schmidt, R. W.

2016-03-01

This is the third in a series of papers studying the astrophysics and cosmology of massive, dynamically relaxed galaxy clusters. Our sample comprises 40 clusters identified as being dynamically relaxed and hot (I.e. massive) in Papers I and II of this series. Here we consider the thermodynamics of the intracluster medium, in particular the profiles of density, temperature and related quantities, as well as integrated measurements of gas mass, average temperature, total luminosity and centre-excluded luminosity. We fit power-law scaling relations of each of these quantities as a function of redshift and cluster mass, which can be measured precisely and with minimal bias for these relaxed clusters using hydrostatic arguments. For the thermodynamic profiles, we jointly model the density and temperature and their intrinsic scatter as a function of radius, thus also capturing the behaviour of the gas pressure and entropy. For the integrated quantities, we also jointly fit a multidimensional intrinsic covariance. Our results reinforce the view that simple hydrodynamical models provide a good description of relaxed clusters outside their centres, but that additional heating and cooling processes are important in the inner regions (radii r ≲ 0.5 r2500 ≈ 0.15 r500). The thermodynamic profiles remain regular, with small intrinsic scatter, down to the smallest radii where deprojection is straightforward (˜20 kpc); within this radius, even the most relaxed systems show clear departures from spherical symmetry. Our results suggest that heating and cooling are continuously regulated in a tight feedback loop, allowing the cluster atmosphere to remain stratified on these scales.

Simplified curve fits for the thermodynamic properties of equilibrium air

NASA Technical Reports Server (NTRS)

Srinivasan, S.; Tannehill, J. C.; Weilmuenster, K. J.

1987-01-01

New, improved curve fits for the thermodynamic properties of equilibrium air have been developed. The curve fits are for pressure, speed of sound, temperature, entropy, enthalpy, density, and internal energy. These curve fits can be readily incorporated into new or existing computational fluid dynamics codes if real gas effects are desired. The curve fits are constructed from Grabau-type transition functions to model the thermodynamic surfaces in a piecewise manner. The accuracies and continuity of these curve fits are substantially improved over those of previous curve fits. These improvements are due to the incorporation of a small number of additional terms in the approximating polynomials and careful choices of the transition functions. The ranges of validity of the new curve fits are temperatures up to 25 000 K and densities from 10 to the -7 to 10 to the 3d power amagats.

Input guide for computer programs to generate thermodynamic data for air and Freon CF4

NASA Technical Reports Server (NTRS)

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

1975-01-01

FORTRAN computer programs were developed to calculate the thermodynamic properties of Freon 14 and air for isentropic expansion from given plenum conditions. Thermodynamic properties for air are calculated with equations derived from the Beattie-Bridgeman nonstandard equation of state and, for Freon 14, with equations derived from the Redlich-Quang nonstandard equation of state. These two gases are used in scale model testing of model rocket nozzle flow fields which requires simulation of the prototype plume shape with a cold flow test approach. Utility of the computer programs for use in analytical prediction of flow fields is enhanced by arranging card or tape output of the data in a format compatible with a method-of-characteristics computer program.

Major Upgrades to the AIRS Version-6 Ozone Profile Methodology

NASA Technical Reports Server (NTRS)

Susskind, Joel; Blaisdell, John; Iredell, Lena

2015-01-01

This research is a continuation of part of what was shown at the last AIRS Science Team Meeting in the talk Improved Water Vapor and Ozone Profiles in SRT AIRS Version-6.X and the AIRS February 11, 2015 NetMeeting Further improvements in water vapor and ozone profiles compared to Version-6.AIRS Version-6 was finalized in late 2012 and is now operational. Version-6 contained many significant improvements in retrieval methodology compared to Version-5. However, Version-6 retrieval methodology used for the water vapor profile q(p) and ozone profile O3(p) retrievals is basically unchanged from Version-5, or even from Version-4. Subsequent research has made significant improvements in both water vapor and O3 profiles compared to Version-6. This talk will concentrate on O3 profile retrievals. Improvements in water vapor profile retrievals are given in a separate presentation.

Computer program for obtaining thermodynamic and transport properties of air and products of combustion of ASTM-A-1 fuel and air

NASA Technical Reports Server (NTRS)

Hippensteele, S. A.; Colladay, R. S.

1978-01-01

A computer program for determining desired thermodynamic and transport property values by means of a three-dimensional (pressure, fuel-air ratio, and either enthalpy or temperature) interpolation routine was developed. The program calculates temperature (or enthalpy), molecular weight, viscosity, specific heat at constant pressure, thermal conductivity, isentropic exponent (equal to the specific heat ratio at conditions where gases do not react), Prandtl number, and entropy for air and a combustion gas mixture of ASTM-A-1 fuel and air over fuel-air ratios from zero to stoichiometric, pressures from 1 to 40 atm, and temperatures from 250 to 2800 K.

Volumetrically Derived Thermodynamic Profile of Interactions of Urea with a Native Protein.

PubMed

Son, Ikbae; Chalikian, Tigran V

2016-11-29

We report the first experimental characterization of the full thermodynamic profile for binding of urea to a native protein. We measured the volumetric parameters of lysozyme at pH 7.0 as a function of urea within a temperature range of 18-45 °C. At neutral pH, lysozyme retains its native conformation between 0 and 8 M urea over the entire range of temperatures studied. Consequently, our measured volumetric properties reflect solely the interactions of urea with the native protein and do not involve contributions from urea-induced conformational transitions. We analyzed our data within the framework of a statistical thermodynamic analytical model in which urea-protein interactions are viewed as solvent exchange in the vicinity of the protein. The analysis produced the equilibrium constant, k, for an elementary reaction of urea-protein binding with a change in standard state free energy (ΔG° = -RT ln k) at each experimental temperature. We used the van't Hoff equation to compute from the temperature dependence of the equilibrium constant, k, changes in enthalpy, ΔH°, and entropy, ΔS°, accompanying binding. The thermodynamic profile of urea-protein interactions, in conjunction with published molecular dynamics simulation results, is consistent with the picture in which urea molecules, being underhydrated in the bulk, form strong, enthalpically favorable interactions with the surface protein groups while paying a high entropic price. We discuss ramifications of our results for providing insights into the combined effects of urea, temperature, and pressure on the conformational preferences of proteins.

Instantaneous variance scaling of AIRS thermodynamic profiles using a circular area Monte Carlo approach

NASA Astrophysics Data System (ADS)

Dorrestijn, Jesse; Kahn, Brian H.; Teixeira, João; Irion, Fredrick W.

2018-05-01

Satellite observations are used to obtain vertical profiles of variance scaling of temperature (T) and specific humidity (q) in the atmosphere. A higher spatial resolution nadir retrieval at 13.5 km complements previous Atmospheric Infrared Sounder (AIRS) investigations with 45 km resolution retrievals and enables the derivation of power law scaling exponents to length scales as small as 55 km. We introduce a variable-sized circular-area Monte Carlo methodology to compute exponents instantaneously within the swath of AIRS that yields additional insight into scaling behavior. While this method is approximate and some biases are likely to exist within non-Gaussian portions of the satellite observational swaths of T and q, this method enables the estimation of scale-dependent behavior within instantaneous swaths for individual tropical and extratropical systems of interest. Scaling exponents are shown to fluctuate between β = -1 and -3 at scales ≥ 500 km, while at scales ≤ 500 km they are typically near β ≈ -2, with q slightly lower than T at the smallest scales observed. In the extratropics, the large-scale β is near -3. Within the tropics, however, the large-scale β for T is closer to -1 as small-scale moist convective processes dominate. In the tropics, q exhibits large-scale β between -2 and -3. The values of β are generally consistent with previous works of either time-averaged spatial variance estimates, or aircraft observations that require averaging over numerous flight observational segments. The instantaneous variance scaling methodology is relevant for cloud parameterization development and the assessment of time variability of scaling exponents.

Simulating the formation of Hurricane Isabel (2003) with AIRS data

NASA Astrophysics Data System (ADS)

Wu, Liguang; Braun, Scott A.; Qu, John J.; Hao, Xianjun

2006-02-01

Using the AIRS retrieved temperature and humidity profiles, the Saharan Air Layer (SAL) influence on the formation of Hurricane Isabel (2003) is simulated numerically with the MM5 model. The warmth and dryness of the SAL (the thermodynamic effect) is assimilated by use of the nudging technique, which enables the model thermodynamic state to be relaxed to the profiles of the AIRS retrieved data for the regions without cloud contamination. By incorporating the AIRS data, MM5 better simulates the large-scale flow patterns and the timing and location of the formation of Hurricane Isabel and its subsequent track. By comparing with an experiment without nudging of the AIRS data, it is shown that the SAL may have delayed the formation of Hurricane Isabel and inhibited the development of another tropical disturbance to the east. This case study confirms the argument by Dunion and Velden (2004) that the SAL can suppress Atlantic tropical cyclone activity by increasing the vertical wind shear, reducing the mean relative humidity, and stabilizing the environment at lower levels.

Optimization of air plasma reconversion of UF6 to UO2 based on thermodynamic calculations

NASA Astrophysics Data System (ADS)

Tundeshev, Nikolay; Karengin, Alexander; Shamanin, Igor

2018-03-01

The possibility of plasma-chemical conversion of depleted uranium-235 hexafluoride (DUHF) in air plasma in the form of gas-air mixtures with hydrogen is considered in the paper. Calculation of burning parameters of gas-air mixtures is carried out and the compositions of mixtures obtained via energy-efficient conversion of DUHF in air plasma are determined. With the help of plasma-chemical conversion, thermodynamic modeling optimal composition of UF6-H2-Air mixtures and its burning parameters, the modes for production of uranium dioxide in the condensed phase are determined. The results of the conducted researches can be used for creation of technology for plasma-chemical conversion of DUHF in the form of air-gas mixtures with hydrogen.

Hot air vulcanization of rubber profiles

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

Gerlach, J.

1995-07-01

Elastomer profiles are deployed in quantity by the automobile industry as seals and wateproofing in coachwork. The high standards demanded by the industry; improvement in weather prediction, noise reduction, restriction of tolerances, together with powerful demand for EPDM force the rubber processing industry into development, particularly of elastomers. Complex proofing systems must also be achieved with extremely complicated profile forms. All too often such profiles have an extremely large surface together with a low cross-section density. They frequently consist of two or three rubber compounds and are steel reinforced. Sometimes they are flocked and coated with a low friction finish.more » Such high-tech seals require an adjustment of the vulcanization method. The consistent trend in the nineties towards lower quantities of elastomer per sealing unit and the dielectric factor, especially with EPDM, has brought an old fashioned vulcanization method once more to the fore, a method developed over the past years to an extremely high standard, namely the hot-air method. This paper describes various vulcanization and curing methods and their relative merits and disadvantages, the Gerlach hot-air concept, the hot air installation concept, and energy saving and efficiency afforded by this technique. 4 figs.« less

Simplified curve fits for the thermodynamic properties of equilibrium air

NASA Technical Reports Server (NTRS)

Srinivasan, S.; Tannehill, J. C.; Weilmuenster, K. J.

1986-01-01

New improved curve fits for the thermodynamic properties of equilibrium air were developed. The curve fits are for p = p(e,rho), a = a(e,rho), T = T(e,rho), s = s(e,rho), T = T(p,rho), h = h(p,rho), rho = rho(p,s), e = e(p,s) and a = a(p,s). These curve fits can be readily incorporated into new or existing Computational Fluid Dynamics (CFD) codes if real-gas effects are desired. The curve fits were constructed using Grabau-type transition functions to model the thermodynamic surfaces in a piecewise manner. The accuracies and continuity of these curve fits are substantially improved over those of previous curve fits appearing in NASA CR-2470. These improvements were due to the incorporation of a small number of additional terms in the approximating polynomials and careful choices of the transition functions. The ranges of validity of the new curve fits are temperatures up to 25,000 K and densities from 10 to the minus 7th to 100 amagats (rho/rho sub 0).

Mechanical properties of protein adsorption layers at the air/water and oil/water interface: a comparison in light of the thermodynamical stability of proteins.

PubMed

Mitropoulos, Varvara; Mütze, Annekathrin; Fischer, Peter

2014-04-01

Over the last decades numerous studies on the interfacial rheological response of protein adsorption layers have been published. The comparison of these studies and the retrieval of a common parameter to compare protein interfacial activity are hampered by the fact that different boundary conditions (e.g. physico-chemical, instrumental, interfacial) were used. In the present work we review previous studies and attempt a unifying approach for the comparison between bulk protein properties and their adsorption films. Among many common food grade proteins we chose bovine serum albumin, β-lactoglobulin and lysozyme for their difference in thermodynamic stability and studied their adsorption at the air/water and limonene/water interface. In order to achieve this we have i) systematically analyzed protein adsorption kinetics in terms of surface pressure rise using a drop profile analysis tensiometer and ii) we addressed the interfacial layer properties under shear stress using an interfacial shear rheometer under the same experimental conditions. We could show that thermodynamically less stable proteins adsorb generally faster and yield films with higher shear rheological properties at air/water interface. The same proteins showed an analog behavior when adsorbing at the limonene/water interface but at slower rates. Copyright © 2013 Elsevier B.V. All rights reserved.

Thermodynamic characteristics of a novel wind-solar-liquid air energy storage system

NASA Astrophysics Data System (ADS)

Ji, W.; Zhou, Y.; Sun, Y.; Zhang, W.; Pan, C. Z.; Wang, J. J.

2017-12-01

Due to the nature of fluctuation and intermittency, the utilization of wind and solar power will bring a huge impact to the power grid management. Therefore a novel hybrid wind-solar-liquid air energy storage (WS-LAES) system was proposed. In this system, wind and solar power are stored in the form of liquid air by cryogenic liquefaction technology and thermal energy by solar thermal collector, respectively. Owing to the high density of liquid air, the system has a large storage capacity and no geographic constraints. The WS-LAES system can store unstable wind and solar power for a stable output of electric energy and hot water. Moreover, a thermodynamic analysis was carried out to investigate the best system performance. The result shows that the increases of compressor adiabatic efficiency, turbine inlet pressure and inlet temperature all have a beneficial effect.

UAV applications for thermodynamic profiling: Emphasis on ice fog research

NASA Astrophysics Data System (ADS)

Gultepe, Ismail; Heymsfield, Andrew J.; Fernando, Harindra J. S.; Hoch, Sebastian W.; Ware, Randolph

2016-04-01

Ice fog occurs often over the Arctic, cold climatic, and mountainous regions for about 30% of time where temperature (T) can go down to -10°C or below. Ice Nucleation (IN) and cooling processes play an important role by the controlling the intensity of ice fog conditions that affect aviation application, transportation, and local climate. Ice fog can also occur at T above -10°C but close to 0°C it occurs due to freezing of supercooled droplets that include an IN. To better document ice fog conditions, observations from the ice fog events of the Indirect and Semi-Direct Aerosol effects on Climate (ISDAC) project, Barrow, Alaska, Fog Remote Sensing And Modeling (FRAM) project Yellowknife, Northwest Territories, and the Mountain Terrain Atmospheric Modeling and Observations (MATERHORN) project, Heber City, Utah, were analyzed.. Measurements difficulties of small ice fog particles at cold temperatures and low-level flying restrictions prevent observations from aircraft within the surface boundary layer. However, unmanned Aerial Vehicles (UAVs) can be operated safely to measure IN number concentration, Relative Humidity with respect to ice (RHi), T, horizontal wind speed (Uh) and direction, and ice crystal spectra less than about 500 micron. Thermodynamic profiling by a Radiometrics Profiling Microwave Radiometer (PMWR) and Vaisala CL51 ceilometer was used to describe ice fog conditions in the vertical and its time development. In this presentation, ice fog characteristics and its thermodynamic environment will be presented using both ground-based and airborne platforms such as a UAV with new sensors. Some examples of measurements from the UAV for future research, and challenges related to both ice fog measurements and visibility parameterization will also be presented.

Decomposition Odour Profiling in the Air and Soil Surrounding Vertebrate Carrion

PubMed Central

2014-01-01

Chemical profiling of decomposition odour is conducted in the environmental sciences to detect malodourous target sources in air, water or soil. More recently decomposition odour profiling has been employed in the forensic sciences to generate a profile of the volatile organic compounds (VOCs) produced by decomposed remains. The chemical profile of decomposition odour is still being debated with variations in the VOC profile attributed to the sample collection technique, method of chemical analysis, and environment in which decomposition occurred. To date, little consideration has been given to the partitioning of odour between different matrices and the impact this has on developing an accurate VOC profile. The purpose of this research was to investigate the decomposition odour profile surrounding vertebrate carrion to determine how VOCs partition between soil and air. Four pig carcasses (Sus scrofa domesticus L.) were placed on a soil surface to decompose naturally and their odour profile monitored over a period of two months. Corresponding control sites were also monitored to determine the VOC profile of the surrounding environment. Samples were collected from the soil below and the air (headspace) above the decomposed remains using sorbent tubes and analysed using gas chromatography-mass spectrometry. A total of 249 compounds were identified but only 58 compounds were common to both air and soil samples. This study has demonstrated that soil and air samples produce distinct subsets of VOCs that contribute to the overall decomposition odour. Sample collection from only one matrix will reduce the likelihood of detecting the complete spectrum of VOCs, which further confounds the issue of determining a complete and accurate decomposition odour profile. Confirmation of this profile will enhance the performance of cadaver-detection dogs that are tasked with detecting decomposition odour in both soil and air to locate victim remains. PMID:24740412

Decomposition odour profiling in the air and soil surrounding vertebrate carrion.

PubMed

Forbes, Shari L; Perrault, Katelynn A

2014-01-01

Chemical profiling of decomposition odour is conducted in the environmental sciences to detect malodourous target sources in air, water or soil. More recently decomposition odour profiling has been employed in the forensic sciences to generate a profile of the volatile organic compounds (VOCs) produced by decomposed remains. The chemical profile of decomposition odour is still being debated with variations in the VOC profile attributed to the sample collection technique, method of chemical analysis, and environment in which decomposition occurred. To date, little consideration has been given to the partitioning of odour between different matrices and the impact this has on developing an accurate VOC profile. The purpose of this research was to investigate the decomposition odour profile surrounding vertebrate carrion to determine how VOCs partition between soil and air. Four pig carcasses (Sus scrofa domesticus L.) were placed on a soil surface to decompose naturally and their odour profile monitored over a period of two months. Corresponding control sites were also monitored to determine the VOC profile of the surrounding environment. Samples were collected from the soil below and the air (headspace) above the decomposed remains using sorbent tubes and analysed using gas chromatography-mass spectrometry. A total of 249 compounds were identified but only 58 compounds were common to both air and soil samples. This study has demonstrated that soil and air samples produce distinct subsets of VOCs that contribute to the overall decomposition odour. Sample collection from only one matrix will reduce the likelihood of detecting the complete spectrum of VOCs, which further confounds the issue of determining a complete and accurate decomposition odour profile. Confirmation of this profile will enhance the performance of cadaver-detection dogs that are tasked with detecting decomposition odour in both soil and air to locate victim remains.

The Effect of the Saharan Air Layer on the Formation of Hurricane Isabel (2003) Simulated with AIRS Data

NASA Technical Reports Server (NTRS)

Wu, iguang; Braun, Scott A.; Qu, John J.

2006-01-01

The crucial physics of how the atmosphere really accomplishes the tropical cyclogenesis process is still poorly understood. The presence of the Saharan Air Layer (SAL), an elevated mixed layer of warm and dry air that extends from Africa to the tropical Atlantic and contains a substantial amount of mineral dust, adds more complexity to the tropical cyclogenesis process in the Atlantic basin. The impact of the SAL on tropical cyclogenesis is still uncertain. Karyampudi and Carlson (1988) conclude that a strong SAL can potentially aid tropical cyclone development while Dunion and Velden (2004) argue that the SAL generally inhibits tropical cyclogenesis and intensification. Advancing our understanding of the physical mechanisms of tropical cyclogenesis and the associated roles of the SAL strongly depends on the improvement in the observations over the data-sparse ocean areas. After the Atmospheric Infrared Sounder (AIRS), the Advanced Microwave Sounding Unit (AMSU), and the microwave Humidity Sounder of Brazil (HSB) were launched with the NASA Aqua satellite in 2002, new data products retrieved from the AIRS suite became available for studying the effect of the warm, dry air mass associated with the SAL (referred to as the thermodynamic effect). The vertical profiles of the AIRS retrieved temperature and humidity provide an unprecedented opportunity to examine the thermodynamic effect of the SAL. The observational data can be analyzed and assimilated into numerical models, in which the model thermodynamic state is allowed to relax to the observed state from AIRS data. The objective of this study is to numerically demonstrate that the thermodynamic effect of the SAL on the formation of Hurricane Isabel (2003) can be largely simulated through nudging of the AIRS data.

Physical Profiling Performance of Air Force Primary Care Providers

DTIC Science & Technology

2017-08-09

AFRL-SA-WP-TR-2017-0014 Physical Profiling Performance of Air Force Primary Care Providers Anthony P. Tvaryanas1; William P...COVERED (From – To) September 2016 – January 2017 4. TITLE AND SUBTITLE Physical Profiling Performance of Air Force Primary Care Providers...encounter with their primary care team. An independent medical standards subject matter expert (SME) reviewed encounters in the electronic health record

Networked Thermodynamic Boundary Layer Profiling with AERIs during the PECAN Field Campaign

NASA Astrophysics Data System (ADS)

Gero, P. J.; Turner, D. D.; Hackel, D.; Phillips, C.; Smith, N.; Wagner, T.

2015-12-01

The Plains Elevated Convection at Night (PECAN) campaign was a large-scale field experiment in the Great Plains region of the U.S. that was conducted in June-July 2015. Nocturnal storms provide the majority of the precipitation in the Great Plains, yet the initiation and evolution of nocturnal convection is not understood to the same level as daytime surface-based convection, and thus provides significant challenges for operational weather forecasters. PECAN's objectives were to study elevated nocturnal convection initiation and the lifecycle of nocturnal convection. Specific research areas that were studied were the evolution of mesoscale convective systems, the structure and evolution of nocturnal low-level jets, atmospheric bores, and elevated convection initiation. A broad range of fixed and mobile observing systems were deployed by several agencies and organizations in a domain centered around Kansas. The Atmospheric Emitted Radiance Interferometer (AERI) is a ground-based instrument that measures downwelling infrared radiance from the atmosphere. AERI observations can be used to obtain vertical profiles of tropospheric temperature and water vapor in the lowest 3 km of the troposphere, as well as measurements of the concentration of various trace gases and microphysical and optical properties of clouds and aerosols. A network of eight AERIs was deployed in the domain during PECAN, with six at fixed sites and two in mobile facilities. One of the goals of the campaign was a demonstration of the use of real-time high-temporal-resolution boundary layer profiles from the network of AERIs for characterizing the mesoscale environment and its evolution during the weather events sampled during PECAN. If successful, a future network could be implemented across CONUS and thermodynamic profiles in the boundary layer data assimilated to help improve numerical weather prediction. We present an overview of the AERI deployments, a summary of the technique used to retrieve

Thermodynamic Cycle and CFD Analyses for Hydrogen Fueled Air-breathing Pulse Detonation Engines

NASA Technical Reports Server (NTRS)

Povinelli, Louis A.; Yungster, Shaye

2002-01-01

This paper presents the results of a thermodynamic cycle analysis of a pulse detonation engine (PDE) using a hydrogen-air mixture at static conditions. The cycle performance results, namely the specific thrust, fuel consumption and impulse are compared to a single cycle CFD analysis for a detonation tube which considers finite rate chemistry. The differences in the impulse values were indicative of the additional performance potential attainable in a PDE.

Diagnosing AIRS Sampling with CloudSat Cloud Classes

NASA Technical Reports Server (NTRS)

Fetzer, Eric; Yue, Qing; Guillaume, Alexandre; Kahn, Brian

2011-01-01

AIRS yield and sampling vary with cloud state. Careful utilization of collocated multiple satellite sensors is necessary. Profile differences between AIRS and ECMWF model analyses indicate that AIRS has high sampling and excellent accuracy for certain meteorological conditions. Cloud-dependent sampling biases may have large impact on AIRS L2 and L3 data in climate research. MBL clouds / lower tropospheric stability relationship is one example. AIRS and CloudSat reveal a reasonable climatology in the MBL cloud regime despite limited sampling in stratocumulus. Thermodynamic parameters such as EIS derived from AIRS data map these cloud conditions successfully. We are working on characterizing AIRS scenes with mixed cloud types.

Major Upgrades to the AIRS Version-6 Water Vapor Profile Methodology

NASA Technical Reports Server (NTRS)

Susskind, Joel; Blaisdell, John; Iredell, Lena

2015-01-01

This research is a continuation of part of what was shown at the last AIRS Science Team Meeting and the AIRS 2015 NetMeeting. AIRS Version 6 was finalized in late 2012 and is now operational. Version 6 contained many significant improvements in retrieval methodology compared to Version 5. Version 6 retrieval methodology used for the water vapor profile q(p) and ozone profile O3(p) retrievals is basically unchanged from Version 5, or even from Version 4. Subsequent research has made significant improvements in both water vapor and O3 profiles compared to Version 6.

Are We There Yet? Applying Thermodynamic and Kinetic Profiling on Embryonic Ectoderm Development (EED) Hit-to-Lead Program.

PubMed

Wang, Ying; Edalji, Rohinton P; Panchal, Sanjay C; Sun, Chaohong; Djuric, Stevan W; Vasudevan, Anil

2017-10-26

It is advocated that kinetic and thermodynamic profiling of bioactive compounds should be incorporated and utilized as complementary tools for hit and lead optimizations in drug discovery. To assess their applications in the EED hit-to-lead optimization process, large amount of thermodynamic and kinetic data were collected and analyzed via isothermal titration calorimetry (ITC) and surface plasmon resonance (SPR), respectively. Slower dissociation rates (k off ) of the lead compounds were observed as the program progressed. Analysis of the kinetic data indicated that compound cellular activity correlated with both K i and k off . Our analysis revealed that ITC data should be interpreted in the context of chiral purity of the compounds. The thermodynamic signatures of the EED aminopyrrolidine compounds were found to be mainly enthalpy driven with improved enthalpic contributions as the program progressed. Our study also demonstrated that significant challenges still exist in utilizing kinetic and thermodynamic parameters for hit selection.

Assimilation of Quality Controlled AIRS Temperature Profiles using the NCEP GFS

NASA Technical Reports Server (NTRS)

Susskind, Joel; Reale, Oreste; Iredell, Lena; Rosenberg, Robert

2013-01-01

We have previously conducted a number of data assimilation experiments using AIRS Version-5 quality controlled temperature profiles as a step toward finding an optimum balance of spatial coverage and sounding accuracy with regard to improving forecast skill. The data assimilation and forecast system we used was the Goddard Earth Observing System Model , Version-5 (GEOS-5) Data Assimilation System (DAS), which represents a combination of the NASA GEOS-5 forecast model with the National Centers for Environmental Prediction (NCEP) operational Grid Point Statistical Interpolation (GSI) global analysis scheme. All analyses and forecasts were run at a 0.5deg x 0.625deg spatial resolution. Data assimilation experiments were conducted in four different seasons, each in a different year. Three different sets of data assimilation experiments were run during each time period: Control; AIRS T(p); and AIRS Radiance. In the "Control" analysis, all the data used operationally by NCEP was assimilated, but no AIRS data was assimilated. Radiances from the Aqua AMSU-A instrument were also assimilated operationally by NCEP and are included in the "Control". The AIRS Radiance assimilation adds AIRS observed radiance observations for a select set of channels to the data set being assimilated, as done operationally by NCEP. In the AIRS T(p) assimilation, all information used in the Control was assimilated as well as Quality Controlled AIRS Version-5 temperature profiles, i.e., AIRS T(p) information was substituted for AIRS radiance information. The AIRS Version-5 temperature profiles were presented to the GSI analysis as rawinsonde profiles, assimilated down to a case-by-case appropriate pressure level p(sub best) determined using the Quality Control procedure. Version-5 also determines case-by-case, level-by-level error estimates of the temperature profiles, which were used as the uncertainty of each temperature measurement. These experiments using GEOS-5 have shown that forecasts

The Impact of Atmospheric InfraRed Sounder (AIRS) Profiles on Short-term Weather Forecasts

NASA Technical Reports Server (NTRS)

Chou, Shih-Hung; Zavodsky, Brad; Jedlovec, Gary J.; Lapenta, William

2007-01-01

The Atmospheric Infrared Sounder (AIRS), together with the Advanced Microwave Sounding Unit (AMSU), represents one of the most advanced spacebased atmospheric sounding systems. The combined AlRS/AMSU system provides radiance measurements used to retrieve temperature profiles with an accuracy of 1 K over 1 km layers under both clear and partly cloudy conditions, while the accuracy of the derived humidity profiles is 15% in 2 km layers. Critical to the successful use of AIRS profiles for weather and climate studies is the use of profile quality indicators and error estimates provided with each profile Aside form monitoring changes in Earth's climate, one of the objectives of AIRS is to provide sounding information of sufficient accuracy such that the assimilation of the new observations, especially in data sparse region, will lead to an improvement in weather forecasts. The purpose of this paper is to describe a procedure to optimally assimilate highresolution AIRS profile data in a regional analysis/forecast model. The paper will focus on the impact of AIRS profiles on a rapidly developing east coast storm and will also discuss preliminary results for a 30-day forecast period, simulating a quasi-operation environment. Temperature and moisture profiles were obtained from the prototype version 5.0 EOS science team retrieval algorithm which includes explicit error information for each profile. The error profile information was used to select the highest quality temperature and moisture data for every profile location and pressure level for assimilation into the ARPS Data Analysis System (ADAS). The AIRS-enhanced analyses were used as initial fields for the Weather Research and Forecast (WRF) system used by the SPORT project for regional weather forecast studies. The ADASWRF system will be run on CONUS domain with an emphasis on the east coast. The preliminary assessment of the impact of the AIRS profiles will focus on quality control issues associated with AIRS

Thermodynamic properties and transport coefficients of air thermal plasmas mixed with ablated vapors of Cu and polytetrafluoroethylene

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

Zhang, JunMin, E-mail: jmzhang@buaa.edu.cn, E-mail: guanyg@tsinghua.edu.cn; Lu, ChunRong; Guan, YongGang, E-mail: jmzhang@buaa.edu.cn, E-mail: guanyg@tsinghua.edu.cn

2015-10-15

Because the fault arc in aircraft electrical system often causes a fire, it is particularly important to analyze its energy and transfer for aircraft safety. The calculation of arc energy requires the basic parameters of the arc. This paper is mainly devoted to the calculations of equilibrium composition, thermodynamic properties (density, molar weight, enthalpy, and specific heat at constant pressure) and transport coefficients (thermal conductivity, electrical conductivity, and viscosity) of plasmas produced by a mixture of air, Cu, and polytetrafluoroethylene under the condition of local thermodynamic equilibrium. The equilibrium composition is determined by solving a system of equations around themore » number densities of each species. The thermodynamic properties are obtained according to the standard thermodynamic relationships. The transport coefficients are calculated using the Chapman-Enskog approximations. Results are presented in the temperature range from 3000 to 30 000 K for pressures of 0.08 and 0.1 MPa, respectively. The results are more accurate and are reliable reference data for theoretical analysis and computational simulation of the behavior of fault arc.« less

Thermodynamic Profiles of the Destructive June 2012 Derecho

NASA Astrophysics Data System (ADS)

Liu, C.; Novakovskaia, E.; Bosse, J.; Ware, R.; Stillman, D.; Sloop, C.; Blanchette, L.; Demoz, B.; Nelson, M.; Cooper, L.; Czarnetzki, A.; Reehorst, A.

2012-12-01

The June 2012 mid-Atlantic and Midwest Derecho was one of the most destructive and deadly fast-moving severe thunderstorm events in North American history. The derecho produced wind gusts approaching 100 miles per hour as it traveled more than 600 miles across large sections of the Midwestern United States, the central Appalachians and the Mid-Atlantic States on the afternoon and evening of June 29, 2012 and into the early morning of June 30, 2012. It produced hurricane-like impacts with little warning, resulting in more than 20 deaths, widespread damage and millions of power outages across the entire affected region. We present continuous temperature and moisture profiles observed by microwave radiometers, and derived forecast indices, along the storm path at locations in Iowa, Ohio and Maryland, providing unique perspective on the evolution of this historic storm. For example, an extreme CAPE value of 5,000 J/kg was derived from radiometer observations at Germantown, Maryland ten hours before storm passage, and 80 knot Wind Index (WINDEX) was derived seven hours before passage. The Germantown radiometer is operated as part of the Earth Networks Boundary Layer Network (BLN) for continuous thermodynamic monitoring of the planetary boundary layer up to 30,000 feet. The BLN uses Radiometrics microwave profilers providing continuous temperature and humidity soundings with radiosonde-equivalent observation accuracy, and unique liquid soundings. This case study illustrates the promise for severe storm forecast improvement based on continuous monitoring of temperature and moisture in the boundary layer and above.

Demonstrating the Operational Value of Thermodynamic Hyperspectral Profiles in the Pre-Convective Environment

NASA Technical Reports Server (NTRS)

Kozlowski, Danielle; Zavodsky, Bradley T.; Jedlovec, Gary J.

2011-01-01

The Short-term Prediction Research and Transition Center (SPoRT) is a collaborative partnership between NASA and operational forecasting partners, including a number of National Weather Service (NWS) Weather Forecasting Offices (WFO). As a part of the transition to operations process, SPoRT attempts to identify possible limitations in satellite observations and provide operational forecasters a product that will result in the most impact on their forecasts. One operational forecast challenge that some NWS offices face, is forecasting convection in data-void regions such as large bodies of water. The Atmospheric Infrared Sounder (AIRS) is a sounding instrument aboard NASA's Aqua satellite that provides temperature and moisture profiles of the atmosphere. This paper will demonstrate an approach to assimilate AIRS profile data into a regional configuration of the WRF model using its three-dimensional variational (3DVAR) assimilation component to be used as a proxy for the individual profiles.

Properties of thermal air plasma with admixing of copper and carbon

NASA Astrophysics Data System (ADS)

Fesenko, S.; Veklich, A.; Boretskij, V.; Cressault, Y.; Gleizes, A.; Teulet, Ph

2014-11-01

This paper deals with investigations of air plasma with admixing of copper and carbon. Model plasma source unit with real breaking arc was used for the simulation of real discharges, which can be occurred during sliding of Cu-C composite electrodes on copper wire at electromotive vehicles. The complex technique of plasma property studies is developed. From one hand, the radial profiles of temperature and electron density in plasma of electric arc discharge in air between Cu-C composite and copper electrodes in air flow were measured by optical spectroscopy techniques. From another hand, the radial profiles of electric conductivity of plasma mixture were calculated by solution of energy balance equation. It was assumed that the thermal conductivity of air plasma is not depending on copper or carbon vapor admixtures. The electron density is obtained from electric conductivity profiles by calculation in assumption of local thermodynamic equilibrium in plasma. Computed in such way radial profiles of electron density in plasma of electric arc discharge in air between copper electrodes were compared with experimentally measured profiles. It is concluded that developed techniques of plasma diagnostics can be reasonably used in investigations of thermal plasma with copper and carbon vapors.

Effects of Temperature and Air Density Profiles on Ozone Lidar Retrievals

NASA Astrophysics Data System (ADS)

Kirgis, G.; Langford, A. O.; Senff, C. J.; Alvarez, R. J. _II, II

2017-12-01

The recent reduction in the primary U.S. National Ambient Air Quality Standard (NAAQS) for ozone (O3) from 75 to 70 parts-per-billion by volume (ppbv) adds urgency to the need for better understanding of the processes that control ground-level concentrations in the United States. While ground-based in situ sensors are capable of measuring ozone levels, they don't give any insight into upper air transport and mixing. Differential absorption lidars such as the NOAA/ESRL Tunable Optical Profiler for Aerosol and oZone (TOPAZ) measure continuous vertical ozone profiles with high spatial and temporal resolution. However, the retrieved ozone mixing ratios depend on the temperature and air density profiles used in the analysis. This study analyzes the ozone concentrations for seven field campaigns from 2013 to 2016 to evaluate the impact of the assumed pressure and temperature profiles on the ozone mixing ratio retrieval. Pressure and temperature profiles from various spatial and temporal resolution models (Modern Era Retrospective-Analysis for Research and Applications, NCEP/NCAR Reanalysis, NCEP North American Regional Reanalysis, Rapid Refresh, and High-Resolution Rapid Refresh) are compared to reference ozone profiles created with pressure and temperature profiles from ozonesondes launched close to the TOPAZ measurement site. The results show significant biases with respect to time of day and season, altitude, and location of the model-extracted profiles. Limitations and advantages of all datasets used will also be discussed.

Statistical thermodynamics and the size distributions of tropical convective clouds.

NASA Astrophysics Data System (ADS)

Garrett, T. J.; Glenn, I. B.; Krueger, S. K.; Ferlay, N.

2017-12-01

Parameterizations for sub-grid cloud dynamics are commonly developed by using fine scale modeling or measurements to explicitly resolve the mechanistic details of clouds to the best extent possible, and then to formulating these behaviors cloud state for use within a coarser grid. A second is to invoke physical intuition and some very general theoretical principles from equilibrium statistical thermodynamics. This second approach is quite widely used elsewhere in the atmospheric sciences: for example to explain the heat capacity of air, blackbody radiation, or even the density profile or air in the atmosphere. Here we describe how entrainment and detrainment across cloud perimeters is limited by the amount of available air and the range of moist static energy in the atmosphere, and that constrains cloud perimeter distributions to a power law with a -1 exponent along isentropes and to a Boltzmann distribution across isentropes. Further, the total cloud perimeter density in a cloud field is directly tied to the buoyancy frequency of the column. These simple results are shown to be reproduced within a complex dynamic simulation of a tropical convective cloud field and in passive satellite observations of cloud 3D structures. The implication is that equilibrium tropical cloud structures can be inferred from the bulk thermodynamic structure of the atmosphere without having to analyze computationally expensive dynamic simulations.

Importance of A Priori Vertical Ozone Profiles for TEMPO Air Quality Retrievals

NASA Astrophysics Data System (ADS)

Johnson, M. S.; Sullivan, J. T.; Liu, X.; Zoogman, P.; Newchurch, M.; Kuang, S.; McGee, T. J.; Leblanc, T.

2017-12-01

Ozone (O3) is a toxic pollutant which plays a major role in air quality. Typically, monitoring of surface air quality and O3 mixing ratios is conducted using in situ measurement networks. This is partially due to high-quality information related to air quality being limited from space-borne platforms due to coarse spatial resolution, limited temporal frequency, and minimal sensitivity to lower tropospheric and surface-level O3. The Tropospheric Emissions: Monitoring of Pollution (TEMPO) satellite is designed to address the limitations of current space-based platforms and to improve our ability to monitor North American air quality. TEMPO will provide hourly data of total column and vertical profiles of O3 with high spatial resolution to be used as a near-real-time air quality product. TEMPO O3 retrievals will apply the Smithsonian Astrophysical Observatory profile algorithm developed based on work from GOME, GOME-2, and OMI. This algorithm is suggested to use a priori O3 profile information from a climatological data-base developed from long-term ozone-sonde measurements (tropopause-based (TB-Clim) O3 climatology). This study evaluates the TB-Clim dataset and model simulated O3 profiles, which could potentially serve as a priori O3 profile information in TEMPO retrievals, from near-real-time data assimilation model products (NASA GMAO's operational GEOS-5 FP model and reanalysis data from MERRA2) and a full chemical transport model (CTM), GEOS-Chem. In this study, vertical profile products are evaluated with surface (0-2 km) and tropospheric (0-10 km) TOLNet observations and the theoretical impact of individual a priori profile sources on the accuracy of TEMPO O3 retrievals in the troposphere and at the surface are presented. Results indicate that while the TB-Clim climatological dataset can replicate seasonally-averaged tropospheric O3 profiles, model-simulated profiles from a full CTM resulted in more accurate tropospheric and surface-level O3 retrievals from

Modeling of coupled thermodynamic and geomechanical performance of underground compressed air energy storage in lined rock caverns

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

Rutqvist, Jonny; Kim, Hyung-Mok; Ryu, Dong-Woo

We applied coupled nonisothermal, multiphase fluid flow and geomechanical numerical modeling to study the coupled thermodynamic and geomechanical performance of underground compressed air energy storage (CAES) in concrete-lined rock caverns. The paper focuses on CAES in lined caverns at relatively shallow depth (e.g., 100 m depth) in which a typical CAES operational pressure of 5 to 8 MPa is significantly higher than both ambient fluid pressure and in situ stress. We simulated a storage operation that included cyclic compression and decompression of air in the cavern, and investigated how pressure, temperature and stress evolve over several months of operation. Wemore » analyzed two different lining options, both with a 50 cm thick low permeability concrete lining, but in one case with an internal synthetic seal such as steel or rubber. For our simulated CAES system, the thermodynamic analysis showed that 96.7% of the energy injected during compression could be recovered during subsequent decompression, while 3.3% of the energy was lost by heat conduction to the surrounding media. Our geomechanical analysis showed that tensile effective stresses as high as 8 MPa could develop in the lining as a result of the air pressure exerted on the inner surface of the lining, whereas thermal stresses were relatively smaller and compressive. With the option of an internal synthetic seal, the maximum effective tensile stress was reduced from 8 to 5 MPa, but was still in substantial tension. We performed one simulation in which the tensile tangential stresses resulted in radial cracks and air leakage though the lining. This air leakage, however, was minor (about 0.16% of the air mass loss from one daily compression) in terms of CAES operational efficiency, and did not significantly impact the overall energy balance of the system. However, despite being minor in terms of energy balance, the air leakage resulted in a distinct pressure increase in the surrounding rock that could

Reanalysis of the Indian summer monsoon: four dimensional data assimilation of AIRS retrievals in a regional data assimilation and modeling framework

NASA Astrophysics Data System (ADS)

Attada, Raju; Parekh, Anant; Chowdary, J. S.; Gnanaseelan, C.

2018-04-01

This work is the first attempt to produce a multi-year downscaled regional reanalysis of the Indian summer monsoon (ISM) using the National Centers for Environmental Prediction (NCEP) operational analyses and Atmospheric Infrared Sounder (AIRS) version 5 temperature and moisture retrievals in a regional model. Reanalysis of nine monsoon seasons (2003-2011) are produced in two parallel setups. The first set of experiments simply downscale the original NCEP operational analyses, whilst the second one assimilates the AIRS temperature and moisture profiles. The results show better representation of the key monsoon features such as low level jet, tropical easterly jet, subtropical westerly jet, monsoon trough and the spatial pattern of precipitation when AIRS profiles are assimilated (compared to those without AIRS data assimilation). The distribution of temperature, moisture and meridional gradients of dynamical and thermodynamical fields over the monsoon region are better represented in the reanalysis that assimilates AIRS profiles. The change induced by AIRS data on the moist and thermodynamic conditions results in more realistic rendering of the vertical shear associated with the monsoon, which in turn leads to a proper moisture transport and the moist convective feedback. This feedback benefits the representation of the regional monsoon characteristics, the monsoon dynamics and the moist convective processes on the seasonal time scale. This study emphasizes the use of AIRS soundings for downscaling of ISM representation in a regional reanalysis.

Understanding Drug Release Data through Thermodynamic Analysis.

PubMed

Freire, Marjorie Caroline Liberato Cavalcanti; Alexandrino, Francisco; Marcelino, Henrique Rodrigues; Picciani, Paulo Henrique de Souza; Silva, Kattya Gyselle de Holanda E; Genre, Julieta; Oliveira, Anselmo Gomes de; Egito, Eryvaldo Sócrates Tabosa do

2017-06-13

Understanding the factors that can modify the drug release profile of a drug from a Drug-Delivery-System (DDS) is a mandatory step to determine the effectiveness of new therapies. The aim of this study was to assess the Amphotericin-B (AmB) kinetic release profiles from polymeric systems with different compositions and geometries and to correlate these profiles with the thermodynamic parameters through mathematical modeling. Film casting and electrospinning techniques were used to compare behavior of films and fibers, respectively. Release profiles from the DDSs were performed, and the mathematical modeling of the data was carried out. Activation energy, enthalpy, entropy and Gibbs free energy of the drug release process were determined. AmB release profiles showed that the relationship to overcome the enthalpic barrier was PVA-fiber > PVA-film > PLA-fiber > PLA-film. Drug release kinetics from the fibers and the films were better fitted on the Peppas-Sahlin and Higuchi models, respectively. The thermodynamic parameters corroborate these findings, revealing that the AmB release from the evaluated systems was an endothermic and non-spontaneous process. Thermodynamic parameters can be used to explain the drug kinetic release profiles. Such an approach is of utmost importance for DDS containing insoluble compounds, such as AmB, which is associated with an erratic bioavailability.

Understanding Drug Release Data through Thermodynamic Analysis

PubMed Central

Freire, Marjorie Caroline Liberato Cavalcanti; Alexandrino, Francisco; Marcelino, Henrique Rodrigues; Picciani, Paulo Henrique de Souza; Silva, Kattya Gyselle de Holanda e; Genre, Julieta; de Oliveira, Anselmo Gomes; do Egito, Eryvaldo Sócrates Tabosa

2017-01-01

Understanding the factors that can modify the drug release profile of a drug from a Drug-Delivery-System (DDS) is a mandatory step to determine the effectiveness of new therapies. The aim of this study was to assess the Amphotericin-B (AmB) kinetic release profiles from polymeric systems with different compositions and geometries and to correlate these profiles with the thermodynamic parameters through mathematical modeling. Film casting and electrospinning techniques were used to compare behavior of films and fibers, respectively. Release profiles from the DDSs were performed, and the mathematical modeling of the data was carried out. Activation energy, enthalpy, entropy and Gibbs free energy of the drug release process were determined. AmB release profiles showed that the relationship to overcome the enthalpic barrier was PVA-fiber > PVA-film > PLA-fiber > PLA-film. Drug release kinetics from the fibers and the films were better fitted on the Peppas–Sahlin and Higuchi models, respectively. The thermodynamic parameters corroborate these findings, revealing that the AmB release from the evaluated systems was an endothermic and non-spontaneous process. Thermodynamic parameters can be used to explain the drug kinetic release profiles. Such an approach is of utmost importance for DDS containing insoluble compounds, such as AmB, which is associated with an erratic bioavailability. PMID:28773009

Thermodynamic and Transport Properties of Real Air Plasma in Wide Range of Temperature and Pressure

NASA Astrophysics Data System (ADS)

Wang, Chunlin; Wu, Yi; Chen, Zhexin; Yang, Fei; Feng, Ying; Rong, Mingzhe; Zhang, Hantian

2016-07-01

Air plasma has been widely applied in industrial manufacture. In this paper, both dry and humid air plasmas' thermodynamic and transport properties are calculated in temperature 300-100000 K and pressure 0.1-100 atm. To build a more precise model of real air plasma, over 70 species are considered for composition. Two different methods, the Gibbs free energy minimization method and the mass action law method, are used to determinate the composition of the air plasma in a different temperature range. For the transport coefficients, the simplified Chapman-Enskog method developed by Devoto has been applied using the most recent collision integrals. It is found that the presence of CO2 has almost no effect on the properties of air plasma. The influence of H2O can be ignored except in low pressure air plasma, in which the saturated vapor pressure is relatively high. The results will serve as credible inputs for computational simulation of air plasma. supported by the National Key Basic Research Program of China (973 Program)(No. 2015CB251002), National Natural Science Foundation of China (Nos. 51521065, 51577145), the Science and Technology Project Funds of the Grid State Corporation (SGTYHT/13-JS-177), the Fundamental Research Funds for the Central Universities, and State Grid Corporation Project (GY71-14-004)

Radiative and thermodynamic responses to aerosol extinction profiles during the pre-monsoon month over South Asia

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

Feng, Y.; Kotamarthi, V. R.; Coulter, R.

Aerosol radiative effects and thermodynamic responses over South Asia are examined with a version of the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) for March 2012. Model results of Aerosol Optical Depth (AOD) and extinction profiles are analyzed and compared to satellite retrievals and two ground-based lidars located in the northern India. The WRF-Chem model is found to underestimate the AOD during the simulated pre-monsoon month and about 83 % of the model low-bias is due to aerosol extinctions below ~2 km. Doubling the calculated aerosol extinctions below 850 hPa generates much better agreement with the observed AODmore » and extinction profiles averaged over South Asia. To separate the effect of absorption and scattering properties, two runs were conducted: in one run (Case I), the calculated scattering and absorption coefficients were increased proportionally, while in the second run (Case II) only the calculated aerosol scattering coefficient was increased. With the same AOD and extinction profiles, the two runs produce significantly different radiative effects over land and oceans. On the regional mean basis, Case I generates 48 % more heating in the atmosphere and 21 % more dimming at the surface than Case II. Case I also produces stronger cooling responses over the land from the longwave radiation adjustment and boundary layer mixing. These rapid adjustments offset the stronger radiative heating in Case I and lead to an overall lower-troposphere cooling up to -0.7 K day −1, which is smaller than that in Case II. Over the ocean, direct radiative effects dominate the heating rate changes in the lower atmosphere lacking such surface and lower atmosphere adjustments due to fixed sea surface temperature, and the strongest atmospheric warming is obtained in Case I. Consequently, atmospheric dynamics (boundary layer heights and meridional circulation) and thermodynamic processes (water vapor and cloudiness) are shown to respond

Radiative and thermodynamic responses to aerosol extinction profiles during the pre-monsoon month over South Asia

DOE PAGES

Feng, Y.; Kotamarthi, V. R.; Coulter, R.; ...

2015-06-19

Aerosol radiative effects and thermodynamic responses over South Asia are examined with a version of the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) for March 2012. Model results of Aerosol Optical Depth (AOD) and extinction profiles are analyzed and compared to satellite retrievals and two ground-based lidars located in the northern India. The WRF-Chem model is found to underestimate the AOD during the simulated pre-monsoon month and about 83 % of the model low-bias is due to aerosol extinctions below ~2 km. Doubling the calculated aerosol extinctions below 850 hPa generates much better agreement with the observed AODmore » and extinction profiles averaged over South Asia. To separate the effect of absorption and scattering properties, two runs were conducted: in one run (Case I), the calculated scattering and absorption coefficients were increased proportionally, while in the second run (Case II) only the calculated aerosol scattering coefficient was increased. With the same AOD and extinction profiles, the two runs produce significantly different radiative effects over land and oceans. On the regional mean basis, Case I generates 48 % more heating in the atmosphere and 21 % more dimming at the surface than Case II. Case I also produces stronger cooling responses over the land from the longwave radiation adjustment and boundary layer mixing. These rapid adjustments offset the stronger radiative heating in Case I and lead to an overall lower-troposphere cooling up to -0.7 K day −1, which is smaller than that in Case II. Over the ocean, direct radiative effects dominate the heating rate changes in the lower atmosphere lacking such surface and lower atmosphere adjustments due to fixed sea surface temperature, and the strongest atmospheric warming is obtained in Case I. Consequently, atmospheric dynamics (boundary layer heights and meridional circulation) and thermodynamic processes (water vapor and cloudiness) are shown to respond

Importance of a Priori Vertical Ozone Profiles for TEMPO Air Quality Retrievals

NASA Technical Reports Server (NTRS)

Johnson, Matthew S.; Sullivan, John; Liu, Xiong; Zoogman, Peter; Newchurch, Mike; Kuang, Shi; McGee, Thomas; Leblanc, Thierry

2017-01-01

Ozone (O3) is a toxic pollutant which plays a major role in air quality. Typically, monitoring of surface air quality and O3 mixing ratios is conducted using in situ measurement networks. This is partially due to high-quality information related to air quality being limited from space-borne platforms due to coarse spatial resolution, limited temporal frequency, and minimal sensitivity to lower tropospheric and surface-level O3. The Tropospheric Emissions: Monitoring of Pollution (TEMPO) satellite is designed to address the limitations of current space-based platforms and to improve our ability to monitor North American air quality. TEMPO will provide hourly data of total column and vertical profiles of O3 with high spatial resolution to be used as a near-real-time air quality product. TEMPO O3 retrievals will apply the Smithsonian Astrophysical Observatory profile algorithm developed based on work from GOME (Global Ozone Monitoring Experiment), GOME-2, and OMI (Ozone Monitoring Instrument). This algorithm is suggested to use a priori O3 profile information from a climatological data-base developed from long-term ozone-sonde measurements (tropopause-based (TB-Clim) O3 climatology). This study evaluates the TB-Clim dataset and model simulated O3 profiles, which could potentially serve as a priori O3 profile information in TEMPO retrievals, from near-real-time data assimilation model products (NASA GMAO's (Global Modeling and Assimilation Office) operational GEOS-5 (Goddard Earth Observing System, Version 5) FP (Forecast Products) model and reanalysis data from MERRA2 (Modern-Era Retrospective analysis for Research and Applications, Version 2)) and a full chemical transport model (CTM), GEOS-Chem. In this study, vertical profile products are evaluated with surface (0-2 kilometers) and tropospheric (0-10 kilometers) TOLNet (Tropospheric Ozone Lidar Network) observations and the theoretical impact of individual a priori profile sources on the accuracy of TEMPO O3

Computer codes for the evaluation of thermodynamic and transport properties for equilibrium air to 30000 K

NASA Technical Reports Server (NTRS)

Thompson, Richard A.; Lee, Kam-Pui; Gupta, Roop N.

1991-01-01

The computer codes developed here provide self-consistent thermodynamic and transport properties for equilibrium air for temperatures from 500 to 30000 K over a temperature range of 10 (exp -4) to 10 (exp -2) atm. These properties are computed through the use of temperature dependent curve fits for discrete values of pressure. Interpolation is employed for intermediate values of pressure. The curve fits are based on mixture values calculated from an 11-species air model. Individual species properties used in the mixture relations are obtained from a recent study by the present authors. A review and discussion of the sources and accuracy of the curve fitted data used herein are given in NASA RP 1260.

Influences of the Saharan Air Layer on the Formation and Intensification of Hurricane Isabel (2003): Analysis of AIRS data and Numerical Simulation

NASA Astrophysics Data System (ADS)

Wu, L.; Braun, S. A.

2006-12-01

Over the past two decades, little advance has been made in prediction of tropical cyclone intensity while substantial improvements have been made in forecasting hurricane tracks. One reason is that we don't well understand the physical processes that govern tropical cyclone intensity. Recent studies have suggested that the Saharan Air Layer (SAL) may be yet another piece of the puzzle in advancing our understanding of tropical cyclone intensity change in the Atlantic basin. The SAL is an elevated mixed layer, forming as air moves across the vast Sahara Desert, in particular during boreal summer months. The SAL contains warm, dry air as well as a substantial amount of mineral dust, which can affect radiative heating and modify cloud processes. Using the retrieved temperature and humidity profiles from the AIRS suite on the NASA Aqua satellite, the SAL and its influences on the formation and intensification of Hurricane Isabel (2003) are analyzed and simulated with MM5. When the warmth and dryness of the SAL (the thermodynamic effect) is considered by relaxing the model thermodynamic state to the AIRS profiles, MM5 can well simulate the large-scale flow patterns and the activity of Hurricane Isabel in terms of the timing and location of formation and the subsequent track. Compared with the experiment without nudging the AIRS data, it is suggested that the simulated SAL effect may delay the formation and intensification of Hurricane Isabel. This case study generally confirms the argument by Dunion and Velden (2004) that the SAL can suppress Atlantic tropical cyclone activity by increasing the vertical wind shear, reducing the mean relative humidity, and stabilizing the environment at lower levels.

Thermodynamics of organic compounds

NASA Astrophysics Data System (ADS)

Gammon, B. E.; Smith, N. K.

1982-11-01

This research program consisted of an integrated and interrelated effort of basic and applied research in chemical thermodynamics and thermochemistry. Knowledge of variation of physical and thermodynamic properties with molecular structure was used to select compounds for study that because of high ring strain or unusual steric effects may have good energy characteristics per unit volume or per unit mass and thus be useful in the synthesis of high energy fuels. These materials were synthesized, and their thermodynamic properties were evaluated. In cooperation with researcher at Wright-Patterson Air Force Base, ramjet fuels currently in use were subjected to careful thermodynamic evaluation by measurements of heat capacity, enthalpy of combustion and vapor pressure. During the last year of this effort, seven kerosene-type fuels produced by British Petroleum and seven jet fuels produced from shale oil were studied.

UAV Applications for Thermodynamic Profiling:Emphasis on Ice Fog Visibility

NASA Astrophysics Data System (ADS)

Gultepe, Ismail; Heymsfield, Andrew; Fernando, Joseph; hoch, sebastian; pardyjack, Eric; Boudala, faisal; Ware, Randolph

2017-04-01

Ice fog often occurs over the Arctic, in cold climates, and near mountainous regions about 30% of time when temperatures (T) drop to -10°C or below. Ice fog affects aviation operations, transportation, and local climate. Ice Nucleation (IN) and radiative cooling play an important role by controlling the intensity of ice fog conditions. Ice fog can also occur at T above -10°C, but close to 0°C it mainly occurs due to freezing of supercooled droplets that contain an IN. To better document ice fog conditions, observations from ice fog events of the Indirect and Semi-Direct Aerosol effects on Climate (ISDAC) project (Barrow, Alaska), Fog Remote Sensing And Modeling (FRAM) project (Yellowknife, Northwest Territories), and the Mountain Terrain Atmospheric Modeling and Observations (MATERHORN) project (Heber City, Utah), were analyzed. Difficulties in measuring small ice fog particles at low temperatures and low-level research aircraft flying restrictions prevent observations from aircraft within the atmospheric boundary layer. However, Unmanned Aerial Vehicles (UAVs) can be operated safely to measure IN number concentration, Relative Humidity with respect to ice (RHi), T, horizontal wind speed (Uh) and direction, visibility, and possibly even measuring ice crystal spectra below about 500 micron, to provide a method for future research of ice fog. In this study, thermodynamic profiling was conducted using a Radiometrics Microwave Radiometer (PMWR) and Vaisala CL51 ceilometer to describe vertical spatial and temporal development of ice fog conditions. Overall, ice fog characteristics and its thermodynamic environment will be presented using both ground-based and airborne platforms such as a UAV with new sensors. Some examples of measurements from the UAV and a DMT GCIP (Droplet Measurement Technologies Ground Cloud Imaging Probe), and challenges related to both ice fog measurements and visibility parameterization will also be presented.

Remote Sensing the Vertical Profile of Cloud Droplet Effective Radius, Thermodynamic Phase, and Temperature

NASA Technical Reports Server (NTRS)

Martins, J. V.; Marshak, A.; Remer, L. A.; Rosenfeld, D.; Kaufman, Y. J.; Fernandez-Borda, R.; Koren, I.; Correia, A. L.; Zubko, V.; Artaxo, P.

2011-01-01

Cloud-aerosol interaction is a key issue in the climate system, affecting the water cycle, the weather, and the total energy balance including the spatial and temporal distribution of latent heat release. Information on the vertical distribution of cloud droplet microphysics and thermodynamic phase as a function of temperature or height, can be correlated with details of the aerosol field to provide insight on how these particles are affecting cloud properties and their consequences to cloud lifetime, precipitation, water cycle, and general energy balance. Unfortunately, today's experimental methods still lack the observational tools that can characterize the true evolution of the cloud microphysical, spatial and temporal structure in the cloud droplet scale, and then link these characteristics to environmental factors and properties of the cloud condensation nuclei. Here we propose and demonstrate a new experimental approach (the cloud scanner instrument) that provides the microphysical information missed in current experiments and remote sensing options. Cloud scanner measurements can be performed from aircraft, ground, or satellite by scanning the side of the clouds from the base to the top, providing us with the unique opportunity of obtaining snapshots of the cloud droplet microphysical and thermodynamic states as a function of height and brightness temperature in clouds at several development stages. The brightness temperature profile of the cloud side can be directly associated with the thermodynamic phase of the droplets to provide information on the glaciation temperature as a function of different ambient conditions, aerosol concentration, and type. An aircraft prototype of the cloud scanner was built and flew in a field campaign in Brazil.

Influence of thermodynamic mechanism of inter- facial adsorption on purifying air-conditioning engineering under intensification of electric field

NASA Astrophysics Data System (ADS)

Chen, Yun-Yu

2016-12-01

As a kind of mass transfer process as well as the basis of separating and purifying mixtures, interfacial adsorption has been widely applied to fields like chemical industry, medical industry and purification engineering in recent years. Influencing factors of interfacial adsorption, in addition to the traditional temperature, intensity of pressure, amount of substance and concentration, also include external fields, such as magnetic field, electric field and electromagnetic field, etc. Starting from the point of thermodynamics and taking the Gibbs adsorption as the model, the combination of energy axiom and the first law of thermodynamics was applied to boundary phase, and thus the theoretical expression for the volume of interface absorption under electric field as well as the mathematical relationship between surface tension and electric field intensity was obtained. In addition, according to the obtained theoretical expression, the volume of interface absorption of ethanol solution under different electric field intensities and concentrations was calculated. Moreover, the mechanism of interfacial adsorption was described from the perspective of thermodynamics and the influence of electric field on interfacial adsorption was explained reasonably, aiming to further discuss the influence of thermodynamic mechanism of interfacial adsorption on purifying air-conditioning engineering under intensification of electric field.

3-D Surface Depression Profiling Using High Frequency Focused Air-Coupled Ultrasonic Pulses

NASA Technical Reports Server (NTRS)

Roth, Don J.; Kautz, Harold E.; Abel, Phillip B.; Whalen, Mike F.; Hendricks, J. Lynne; Bodis, James R.

1999-01-01

Surface topography is an important variable in the performance of many industrial components and is normally measured with diamond-tip profilometry over a small area or using optical scattering methods for larger area measurement. This article shows quantitative surface topography profiles as obtained using only high-frequency focused air-coupled ultrasonic pulses. The profiles were obtained using a profiling system developed by NASA Glenn Research Center and Sonix, Inc (via a formal cooperative agreement). (The air transducers are available as off-the-shelf items from several companies.) The method is simple and reproducible because it relies mainly on knowledge and constancy of the sound velocity through the air. The air transducer is scanned across the surface and sends pulses to the sample surface where they are reflected back from the surface along the same path as the incident wave. Time-of-flight images of the sample surface are acquired and converted to depth/surface profile images using the simple relation (d = V*t/2) between distance (d), time-of-flight (t), and the velocity of sound in air (V). The system has the ability to resolve surface depression variations as small as 25 microns, is useable over a 1.4 mm vertical depth range, and can profile large areas only limited by the scan limits of the particular ultrasonic system. (Best-case depth resolution is 0.25 microns which may be achievable with improved isolation from vibration and air currents.) The method using an optimized configuration is reasonably rapid and has all quantitative analysis facilities on-line including 2-D and 3-D visualization capability, extreme value filtering (for faulty data), and leveling capability. Air-coupled surface profilometry is applicable to plate-like and curved samples. In this article, results are shown for several proof-of-concept samples, plastic samples burned in microgravity on the STS-54 space shuttle mission, and a partially-coated cylindrical ceramic

Evaluation of the Impact of AIRS Radiance and Profile Data Assimilation in Partly Cloudy Regions

NASA Technical Reports Server (NTRS)

Zavodsky, Bradley; Srikishen, Jayanthi; Jedlovec, Gary

2013-01-01

Improvements to global and regional numerical weather prediction have been demonstrated through assimilation of data from NASA s Atmospheric Infrared Sounder (AIRS). Current operational data assimilation systems use AIRS radiances, but impact on regional forecasts has been much smaller than for global forecasts. Retrieved profiles from AIRS contain much of the information that is contained in the radiances and may be able to reveal reasons for this reduced impact. Assimilating AIRS retrieved profiles in an identical analysis configuration to the radiances, tracking the quantity and quality of the assimilated data in each technique, and examining analysis increments and forecast impact from each data type can yield clues as to the reasons for the reduced impact. By doing this with regional scale models individual synoptic features (and the impact of AIRS on these features) can be more easily tracked. This project examines the assimilation of hyperspectral sounder data used in operational numerical weather prediction by comparing operational techniques used for AIRS radiances and research techniques used for AIRS retrieved profiles. Parallel versions of a configuration of the Weather Research and Forecasting (WRF) model with Gridpoint Statistical Interpolation (GSI) are run to examine the impact AIRS radiances and retrieved profiles. Statistical evaluation of a long-term series of forecast runs will be compared along with preliminary results of in-depth investigations for select case comparing the analysis increments in partly cloudy regions and short-term forecast impacts.

Influence of ion chamber response on in-air profile measurements in megavoltage photon beams.

PubMed

Tonkopi, E; McEwen, M R; Walters, B R B; Kawrakow, I

2005-09-01

This article presents an investigation of the influence of the ion chamber response, including buildup caps, on the measurement of in-air off-axis ratio (OAR) profiles in megavoltage photon beams using Monte Carlo simulations with the EGSnrc system. Two new techniques for the calculation of OAR profiles are presented. Results of the Monte Carlo simulations are compared to measurements performed in 6, 10 and 25 MV photon beams produced by an Elekta Precise linac and shown to agree within the experimental and simulation uncertainties. Comparisons with calculated in-air kerma profiles demonstrate that using a plastic mini phantom gives more accurate air-kerma measurements than using high-Z material buildup caps and that the variation of chamber response with distance from the central axis must be taken into account.

Radiative and thermodynamic responses to aerosol extinction profiles during the pre-monsoon month over South Asia

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

Feng, Y.; Kotamarthi, V. R.; Coulter, R.

Aerosol radiative effects and thermodynamic responses over South Asia are examined with the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) for March 2012. Model results of aerosol optical depths (AODs) and extinction profiles are analyzed and compared to satellite retrievals and two ground-based lidars located in northern India. The WRF-Chem model is found to heavily underestimate the AOD during the simulated pre-monsoon month and about 83 % of the model's low bias is due to aerosol extinctions below ~2 km. Doubling the calculated aerosol extinctions below 850 hPa generates much better agreement with the observed AOD and extinction profilesmore » averaged over South Asia. To separate the effect of absorption and scattering properties, two runs were conducted: in one run (Case I), the calculated scattering and absorption coefficients were increased proportionally, while in the second run (Case II) only the calculated aerosol scattering coefficient was increased. With the same AOD and extinction profiles, the two runs produce significantly different radiative effects over land and oceans. On the regional mean basis, Case I generates 48% more heating in the atmosphere and 21% more dimming at the surface than Case II. Case I also produces stronger cooling responses over the land from the longwave radiation adjustment and boundary layer mixing. These rapid adjustments offset the stronger radiative heating in Case I and lead to an overall lower-troposphere cooling up to -0.7K day −1, which is smaller than that in Case II. Over the ocean, direct radiative effects dominate the heating rate changes in the lower atmosphere lacking such surface and lower atmosphere adjustments due to fixed sea surface temperature, and the strongest atmospheric warming is obtained in Case I. Consequently, atmospheric dynamics (boundary layer heights and meridional circulation) and thermodynamic processes (water vapor and cloudiness) are shown to respond

Radiative and thermodynamic responses to aerosol extinction profiles during the pre-monsoon month over South Asia

DOE PAGES

Feng, Y.; Kotamarthi, V. R.; Coulter, R.; ...

2016-01-18

Aerosol radiative effects and thermodynamic responses over South Asia are examined with the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) for March 2012. Model results of aerosol optical depths (AODs) and extinction profiles are analyzed and compared to satellite retrievals and two ground-based lidars located in northern India. The WRF-Chem model is found to heavily underestimate the AOD during the simulated pre-monsoon month and about 83 % of the model's low bias is due to aerosol extinctions below ~2 km. Doubling the calculated aerosol extinctions below 850 hPa generates much better agreement with the observed AOD and extinction profilesmore » averaged over South Asia. To separate the effect of absorption and scattering properties, two runs were conducted: in one run (Case I), the calculated scattering and absorption coefficients were increased proportionally, while in the second run (Case II) only the calculated aerosol scattering coefficient was increased. With the same AOD and extinction profiles, the two runs produce significantly different radiative effects over land and oceans. On the regional mean basis, Case I generates 48% more heating in the atmosphere and 21% more dimming at the surface than Case II. Case I also produces stronger cooling responses over the land from the longwave radiation adjustment and boundary layer mixing. These rapid adjustments offset the stronger radiative heating in Case I and lead to an overall lower-troposphere cooling up to -0.7K day −1, which is smaller than that in Case II. Over the ocean, direct radiative effects dominate the heating rate changes in the lower atmosphere lacking such surface and lower atmosphere adjustments due to fixed sea surface temperature, and the strongest atmospheric warming is obtained in Case I. Consequently, atmospheric dynamics (boundary layer heights and meridional circulation) and thermodynamic processes (water vapor and cloudiness) are shown to respond

The Thermodynamics of General and Local Anesthesia

PubMed Central

Græsbøll, Kaare; Sasse-Middelhoff, Henrike; Heimburg, Thomas

2014-01-01

General anesthetics are known to cause depression of the freezing point of transitions in biomembranes. This is a consequence of ideal mixing of the anesthetic drugs in the membrane fluid phase and exclusion from the solid phase. Such a generic law provides physical justification of the famous Meyer-Overton rule. We show here that general anesthetics, barbiturates, and local anesthetics all display the same effect on melting transitions. Their effect is reversed by hydrostatic pressure. Thus, the thermodynamic behavior of local anesthetics is very similar to that of general anesthetics. We present a detailed thermodynamic analysis of heat capacity profiles of membranes in the presence of anesthetics. Using this analysis, we are able to describe experimentally observed calorimetric profiles and predict the anesthetic features of arbitrary molecules. In addition, we discuss the thermodynamic origin of the cutoff effect of long-chain alcohols and the additivity of the effect of general and local anesthetics. PMID:24853743

The Thermodynamics of General and Local Anesthesia

NASA Astrophysics Data System (ADS)

Græsbøll, Kaare; Sasse-Middelhoff, Henrike; Heimburg, Thomas

2014-05-01

General anesthetics are known to cause depression of the freezing point of transitions in biomembranes. This is a consequence of ideal mixing of the anesthetic drugs in the membrane fluid phase and exclusion from the solid phase. Such a generic law provides physical justification of the famous Meyer-Overton rule. We show here that general anesthetics, barbiturates and local anesthetics all display the same effect on melting transitions. Their effect is reversed by hydrostatic pressure. Thus, the thermodynamic behavior of local anesthetics is very similar to that of general anesthetics. We present a detailed thermodynamic analysis of heat capacity profiles of membranes in the presence of anesthetics. This analysis is able to describe experimentally observed calorimetric profiles and permits prediction of the anesthetic features of arbitrary molecules. In addition, we discuss the thermodynamic origin of the cutoff-effect of long-chain alcohols and the additivity of the effect of general and local anesthetics.

Interfacial solvation thermodynamics

NASA Astrophysics Data System (ADS)

Ben-Amotz, Dor

2016-10-01

Previous studies have reached conflicting conclusions regarding the interplay of cavity formation, polarizability, desolvation, and surface capillary waves in driving the interfacial adsorptions of ions and molecules at air-water interfaces. Here we revisit these questions by combining exact potential distribution results with linear response theory and other physically motivated approximations. The results highlight both exact and approximate compensation relations pertaining to direct (solute-solvent) and indirect (solvent-solvent) contributions to adsorption thermodynamics, of relevance to solvation at air-water interfaces, as well as a broader class of processes linked to the mean force potential between ions, molecules, nanoparticles, proteins, and biological assemblies.

Data Assimilation Experiments Using Quality Controlled AIRS Version 5 Temperature Soundings

NASA Technical Reports Server (NTRS)

Susskind, Joel

2009-01-01

The AIRS Science Team Version 5 retrieval algorithm has been finalized and is now operational at the Goddard DAAC in the processing (and reprocessing) of all AIRS data. The AIRS Science Team Version 5 retrieval algorithm contains a number of significant improvements over Version 4. Two very significant improvements are described briefly below. 1) The AIRS Science Team Radiative Transfer Algorithm (RTA) has now been upgraded to accurately account for effects of non-local thermodynamic equilibrium on the AIRS observations. This allows for use of AIRS observations in the entire 4.3 micron CO2 absorption band in the retrieval algorithm during both day and night. Following theoretical considerations, tropospheric temperature profile information is obtained almost exclusively from clear column radiances in the 4.3 micron CO2 band in the AIRS Version 5 temperature profile retrieval step. These clear column radiances are a derived product that are indicative of radiances AIRS channels would have seen if the field of view were completely clear. Clear column radiances for all channels are determined using tropospheric sounding 15 micron CO2 observations. This approach allows for the generation of accurate values of clear column radiances and T(p) under most cloud conditions. 2) Another very significant improvement in Version 5 is the ability to generate accurate case-by-case, level-by-level error estimates for the atmospheric temperature profile, as well as for channel-by-channel clear column radiances. These error estimates are used for quality control of the retrieved products. Based on error estimate thresholds, each temperature profiles is assigned a characteristic pressure, pg, down to which the profile is characterized as good for use for data assimilation purposes. We have conducted forecast impact experiments assimilating AIRS quality controlled temperature profiles using the NASA GEOS-5 data assimilation system, consisting of the NCEP GSI analysis coupled with the

Building America Top Innovations 2014 Profile: HVAC Cabinet Air Leakage Test Method

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

none,

This 2014 Top Innovation profile describes Building America-funded research by teams and national laboratories that resulted in the development of an ASHRAE standard and a standardized testing method for testing the air leakage of HVAC air handlers and furnace cabinets and has spurred equipment manufacturers to tighten the cabinets they use for residential HVAC systems.

Heating, Ventilation, Air-conditioning, and Refrigeration. Ohio's Competency Analysis Profile.

ERIC Educational Resources Information Center

Ohio State Univ., Columbus. Vocational Instructional Materials Lab.

Developed through a modified DACUM (Developing a Curriculum) process involving business, industry, labor, and community agency representatives in Ohio, this document is a comprehensive and verified employer competency profile for heating, ventilation, air conditioning, and refrigeration occupations. The list contains units (with and without…

A review of the remote sensing of lower tropospheric thermodynamic profiles and its indispensable role for the understanding and the simulation of water and energy cycles: REMOTE SENSING OF THERMODYNAMIC PROFILES

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

Wulfmeyer, Volker; Hardesty, R. Michael; Turner, David D.

A review of remote sensing technology for lower tropospheric thermodynamic (TD) profiling is presented with focus on high accuracy and high temporal-vertical resolution. The contributions of these instruments to the understanding of the Earth system are assessed with respect to radiative transfer, land surface-atmosphere feedback, convection initiation, and data assimilation. We demonstrate that for progress in weather and climate research, TD profilers are essential. These observational systems must resolve gradients of humidity and temperature in the stable or unstable atmospheric surface layer close to the ground, in the mixed layer, in the interfacial layer—usually characterized by an inversion—and the lowermore » troposphere. A thorough analysis of the current observing systems is performed revealing significant gaps that must be addressed to fulfill existing needs. We analyze whether current and future passive and active remote sensing systems can close these gaps. A methodological analysis and demonstration of measurement capabilities with respect to bias and precision is executed both for passive and active remote sensing including passive infrared and microwave spectroscopy, the global navigation satellite system, as well as water vapor and temperature Raman lidar and water vapor differential absorption lidar. Whereas passive remote sensing systems are already mature with respect to operational applications, active remote sensing systems require further engineering to become operational in networks. However, active remote sensing systems provide a smaller bias as well as higher temporal and vertical resolutions. For a suitable mesoscale network design, TD profiler system developments should be intensified and dedicated observing system simulation experiments should be performed.« less

A new retrieval algorithm for tropospheric temperature, humidity and pressure profiling based on GNSS radio occultation data

NASA Astrophysics Data System (ADS)

Kirchengast, Gottfried; Li, Ying; Scherllin-Pirscher, Barbara; Schwärz, Marc; Schwarz, Jakob; Nielsen, Johannes K.

2017-04-01

The GNSS radio occultation (RO) technique is an important remote sensing technique for obtaining thermodynamic profiles of temperature, humidity, and pressure in the Earth's troposphere. However, due to refraction effects of both dry ambient air and water vapor in the troposphere, retrieval of accurate thermodynamic profiles at these lower altitudes is challenging and requires suitable background information in addition to the RO refractivity information. Here we introduce a new moist air retrieval algorithm aiming to improve the quality and robustness of retrieving temperature, humidity and pressure profiles in moist air tropospheric conditions. The new algorithm consists of four steps: (1) use of prescribed specific humidity and its uncertainty to retrieve temperature and its associated uncertainty; (2) use of prescribed temperature and its uncertainty to retrieve specific humidity and its associated uncertainty; (3) use of the previous results to estimate final temperature and specific humidity profiles through optimal estimation; (4) determination of air pressure and density profiles from the results obtained before. The new algorithm does not require elaborated matrix inversions which are otherwise widely used in 1D-Var retrieval algorithms, and it allows a transparent uncertainty propagation, whereby the uncertainties of prescribed variables are dynamically estimated accounting for their spatial and temporal variations. Estimated random uncertainties are calculated by constructing error covariance matrices from co-located ECMWF short-range forecast and corresponding analysis profiles. Systematic uncertainties are estimated by empirical modeling. The influence of regarding or disregarding vertical error correlations is quantified. The new scheme is implemented with static input uncertainty profiles in WEGC's current OPSv5.6 processing system and with full scope in WEGC's next-generation system, the Reference Occultation Processing System (rOPS). Results from

A review of reaction rates and thermodynamic and transport properties for the 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K

NASA Technical Reports Server (NTRS)

Gupta, Roop N.; Yos, Jerrold M.; Thompson, Richard A.

1989-01-01

Reaction rate coefficients and thermodynamic and transport properties are provided for the 11-species air model which can be used for analyzing flows in chemical and thermal nonequilibrium. Such flows will likely occur around currently planned and future hypersonic vehicles. Guidelines for determining the state of the surrounding environment are provided. Approximate and more exact formulas are provided for computing the properties of partially ionized air mixtures in such environments.

Improving 7-Day Forecast Skill by Assimilation of Retrieved AIRS Temperature Profiles

NASA Technical Reports Server (NTRS)

Susskind, Joel; Rosenberg, Bob

2016-01-01

We conducted a new set of Data Assimilation Experiments covering the period January 1 to February 29, 2016 using the GEOS-5 DAS. Our experiments assimilate all data used operationally by GMAO (Control) with some modifications. Significant improvement in Global and Southern Hemisphere Extra-tropical 7-day forecast skill was obtained when: We assimilated AIRS Quality Controlled temperature profiles in place of observed AIRS radiances, and also did not assimilate CrISATMS radiances, nor did we assimilate radiosonde temperature profiles or aircraft temperatures. This new methodology did not improve or degrade 7-day Northern Hemispheric Extra-tropical forecast skill. We are conducting experiments aimed at further improving of Northern Hemisphere Extra-tropical forecast skill.

Thermodynamic and Optical Response of Multiply Shocked Liquid Nitromethane

NASA Astrophysics Data System (ADS)

Flanders, B. M.; Winey, J. M.; Gupta, Y. M.

2015-06-01

To investigate the thermodynamic and optical response of multiply shocked liquids, particle velocity profiles were measured for liquid nitromethane (NM) subjected to stepwise loading to a peak pressure of 10 GPa. Using a multi-point velocity interferometer (VISAR), wave profiles were obtained at both the front and rear interfaces of the thin (200 μm) liquid sample to obtain data regarding the thermodynamic response and the refractive index at the intermediate stepwise loading states, in addition to the peak state. Changes in the apparent velocity at the front sample interface were well accounted for by using a Gladstone-Dale relationship to describe the NM index of refraction. The thermodynamic states of multiply shocked NM were examined by comparing the measured wave profiles to those calculated using a published NM equation of state. Although the calculated and measured particle velocity states are in good overall agreement, comparison of the calculated shock wave reverberation times at the front and rear sample interfaces with the measured values suggests that the published NM equation of state can be improved. Work supported by DOE/NNSA.

Retrieval of the Nitrous Oxide Profiles using the AIRS Data in China

NASA Astrophysics Data System (ADS)

Chen, L.; Ma, P.; Tao, J.; Li, X.; Zhang, Y.; Wang, Z.; Li, S.; Xiong, X.

2014-12-01

As an important greenhouse gas and ozone-depleting substance, the 100-year global warming potential of Nitrous Oxide (N2O) is almost 300 times higher than that of carbon dioxide. However, there are still large uncertainties about the quantitative N2O emission and its feedback to climate change due to the coarse ground-based network. This approach attempts to retrieve the N2O profiles from the Atmospheric InfraRed Sounder (AIRS) data. First, the sensitivity of atmospheric temperature and humidity profiles and surface parameters between two spectral absorption bands were simulated by using the radiative transfer model. Second, the eigenvector regression algorithm is used to construct a priori state. Third, an optimal estimate method was developed based on the band selection of N2O. Finally, we compared our retrieved AIRS profiles with HIPPO data, and analyzed the seasonal and annual N2O distribution in China from 2004 to 2013.

Controlling a rabbet load and air/oil seal temperatures in a turbine

DOEpatents

Schmidt, Mark Christopher

2002-01-01

During a standard fired shutdown of a turbine, a loaded rabbet joint between the fourth stage wheel and the aft shaft of the machine can become unloaded causing a gap to occur due to a thermal mismatch at the rabbet joint with the bearing blower turned on. An open or unloaded rabbet could cause the parts to move relative to each other and therefore cause the rotor to lose balance. If the bearing blower is turned off during a shutdown, the forward air/oil seal temperature may exceed maximum design practice criterion due to "soak-back." An air/oil seal temperature above the established maximum design limits could cause a bearing fire to occur, with catastrophic consequences to the machine. By controlling the bearing blower according to an optimized blower profile, the rabbet load can be maintained, and the air/oil seal temperature can be maintained below the established limits. A blower profile is determined according to a thermodynamic model of the system.

Thermodynamic and kinetic aspects of UO 2 fuel oxidation in air at 400-2000 K

NASA Astrophysics Data System (ADS)

Taylor, Peter

2005-09-01

Most nuclear fuel oxidation research has addressed either low-temperature (<700 K) air oxidation related to fuel storage or high-temperature (>1500 K) steam oxidation linked to reactor safety. This paper attempts to unify modelling for air oxidation of UO 2 fuel over a wide range of temperature, and thus to assist future improvement of the ASTEC code, co-developed by IRSN and GRS. Phenomenological correlations for different temperature ranges distinguish between oxidation on the scale of individual grains to U 3O 7 and U 3O 8 below ˜700 K and individual fragments to U 3O 8 via UO 2+ x and/or U 4O 9 above ˜1200 K. Between about 700 and 1200 K, empirical oxidation rates slowly decline as the U 3O 8 product becomes coarser-grained and more coherent, and fragment-scale processes become important. A more mechanistic approach to high-temperature oxidation addresses questions of oxygen supply, surface reaction kinetics, thermodynamic properties, and solid-state oxygen diffusion. Experimental data are scarce, however, especially at low oxygen partial pressures and high temperatures.

Vertical profile of tritium concentration in air during a chronic atmospheric HT release.

PubMed

Noguchi, Hiroshi; Yokoyama, Sumi

2003-03-01

The vertical profiles of tritium gas and tritiated water concentrations in air, which would have an influence on the assessment of tritium doses as well as on the environmental monitoring of tritium, were measured in a chronic tritium gas release experiment performed in Canada in 1994. While both of the profiles were rather uniform during the day because of atmospheric mixing, large gradients of the profiles were observed at night. The gradient coefficients of the profiles were derived from the measurements. Correlations were analyzed between the gradient coefficients and meteorological conditions: solar radiation, wind speed, and turbulent diffusivity. It was found that the solar radiation was highly correlated with the gradient coefficients of tritium gas and tritiated water profiles and that the wind speed and turbulent diffusivity showed weaker correlations with those of tritiated water profiles. A one-dimensional tritium transport model was developed to analyze the vertical diffusion of tritiated water re-emitted from the ground into the atmosphere. The model consists of processes of tritium gas deposition to soil including oxidation into tritiated water, reemission of tritiated water, dilution of tritiated water in soil by rain, and vertical diffusion of tritiated water in the atmosphere. The model accurately represents the accumulation of tritiated water in soil water and the time variations and vertical profiles of tritiated water concentrations in air.

SPECIES - EVALUATING THERMODYNAMIC PROPERTIES, TRANSPORT PROPERTIES & EQUILIBRIUM CONSTANTS OF AN 11-SPECIES AIR MODEL

NASA Technical Reports Server (NTRS)

Thompson, R. A.

1994-01-01

Accurate numerical prediction of high-temperature, chemically reacting flowfields requires a knowledge of the physical properties and reaction kinetics for the species involved in the reacting gas mixture. Assuming an 11-species air model at temperatures below 30,000 degrees Kelvin, SPECIES (Computer Codes for the Evaluation of Thermodynamic Properties, Transport Properties, and Equilibrium Constants of an 11-Species Air Model) computes values for the species thermodynamic and transport properties, diffusion coefficients and collision cross sections for any combination of the eleven species, and reaction rates for the twenty reactions normally occurring. The species represented in the model are diatomic nitrogen, diatomic oxygen, atomic nitrogen, atomic oxygen, nitric oxide, ionized nitric oxide, the free electron, ionized atomic nitrogen, ionized atomic oxygen, ionized diatomic nitrogen, and ionized diatomic oxygen. Sixteen subroutines compute the following properties for both a single species, interaction pair, or reaction, and an array of all species, pairs, or reactions: species specific heat and static enthalpy, species viscosity, species frozen thermal conductivity, diffusion coefficient, collision cross section (OMEGA 1,1), collision cross section (OMEGA 2,2), collision cross section ratio, and equilibrium constant. The program uses least squares polynomial curve-fits of the most accurate data believed available to provide the requested values more quickly than is possible with table look-up methods. The subroutines for computing transport coefficients and collision cross sections use additional code to correct for any electron pressure when working with ionic species. SPECIES was developed on a SUN 3/280 computer running the SunOS 3.5 operating system. It is written in standard FORTRAN 77 for use on any machine, and requires roughly 92K memory. The standard distribution medium for SPECIES is a 5.25 inch 360K MS-DOS format diskette. The contents of the

Constraints on the Profiles of Total Water PDF in AGCMs from AIRS and a High-Resolution Model

NASA Technical Reports Server (NTRS)

Molod, Andrea

2012-01-01

Atmospheric general circulation model (AGCM) cloud parameterizations generally include an assumption about the subgrid-scale probability distribution function (PDF) of total water and its vertical profile. In the present study, the Atmospheric Infrared Sounder (AIRS) monthly-mean cloud amount and relative humidity fields are used to compute a proxy for the second moment of an AGCM total water PDF called the RH01 diagnostic, which is the AIRS mean relative humidity for cloud fractions of 0.1 or less. The dependence of the second moment on horizontal grid resolution is analyzed using results from a high-resolution global model simulation.The AIRS-derived RH01 diagnostic is generally larger near the surface than aloft, indicating a narrower PDF near the surface, and varies with the type of underlying surface. High-resolution model results show that the vertical structure of profiles of the AGCM PDF second moment is unchanged as the grid resolution changes from 200 to 100 to 50 km, and that the second-moment profiles shift toward higher values with decreasing grid spacing.Several Goddard Earth Observing System, version 5 (GEOS-5), AGCM simulations were performed with several choices for the profile of the PDF second moment. The resulting cloud and relative humidity fields were shown to be quite sensitive to the prescribed profile, and the use of a profile based on the AIRS-derived proxy results in improvements relative to observational estimates. The AIRS-guided total water PDF profiles, including their dependence on underlying surface type and on horizontal resolution, have been implemented in the version of the GEOS-5 AGCM used for publicly released simulations.

Functional Dependence of Thermodynamic and Thermokinetic Parameters of Refrigerants Used in Mine Air Refrigerators. Part 1 - Refrigerant R407C

NASA Astrophysics Data System (ADS)

Nowak, Bernard; Życzkowski, Piotr; Łuczak, Rafał

2017-03-01

The authors of this article dealt with the issue of modeling the thermodynamic and thermokinetic properties (parameters) of refrigerants. The knowledge of these parameters is essential to design refrigeration equipment, to perform their energy efficiency analysis, or to compare the efficiency of air refrigerators using different refrigerants. One of the refrigerants used in mine air compression refrigerators is R407C. For this refrigerant, 23 dependencies were developed, determining its thermodynamic and thermokinetic parameters in the states of saturated liquid, dry saturated vapour, superheated vapor, subcooled liquid, and in the two-phase region. The created formulas have been presented in Tables 2, 5, 8, 10 and 12, respectively. It should be noted that the scope of application of these formulas is wider than the range of changes of that refrigerant during the normal operation of mine refrigeration equipment. The article ends with the statistical verification of the developed dependencies. For this purpose, for each model correlation coefficients and coefficients of determination were calculated, as well as absolute and relative deviations between the given values from the program REFPROP 7 (Lemmon et al., 2002) and the calculated ones. The results of these calculations have been contained in Tables 14 and 15.

Thermodynamic and transport combustion properties of hydrocarbons with air. Part 2: Compositions corresponding to Kelvin temperature schedules in part 1

NASA Technical Reports Server (NTRS)

Gordon, S.

1982-01-01

The equilibrium compositions that correspond to the thermodynamic and transport combustion properties for a wide range of conditions for the reaction of hydrocarbons with air are presented. Initially 55 gaseous species and 3 coin condensed species were considered in the calculations. Only 17 of these 55 gaseous species had equilibrium mole fractions greater than 0.000005 for any of the conditions studied and therefore these were the only ones retained in the final tables.

Radiative and thermodynamic responses to aerosol extinction profiles during the pre-monsoon month over South Asia

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

Feng, Y.; Kotamarthi, V. R.; Coulter, R.

Aerosol radiative effects and thermodynamic responses over South Asia are examined with the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) for March 2012. Model results of aerosol optical depths (AODs) and extinction profiles are analyzed and compared to satellite retrievals and two ground-based lidars located in northern India. The WRF-Chem model is found to heavily underestimate the AOD during the simulated pre-monsoon month and about 83 % of the model's low bias is due to aerosol extinctions below ~2 km. Doubling the calculated aerosol extinctions below 850 hPa generates much better agreement with the observed AOD and extinction profilesmore » averaged over South Asia. To separate the effect of absorption and scattering properties, two runs were conducted: in one run (Case I), the calculated scattering and absorption coefficients were increased proportionally, while in the second run (Case II) only the calculated aerosol scattering coefficient was increased. With the same AOD and extinction profiles, the two runs produce significantly different radiative effects over land and oceans. On the regional mean basis, Case I generates 48 % more heating in the atmosphere and 21 % more dimming at the surface than Case II. Case I also produces stronger cooling responses over the land from the longwave radiation adjustment and boundary layer mixing. These rapid adjustments offset the stronger radiative heating in Case I and lead to an overall lower-troposphere cooling up to -0.7 K day −1, which is smaller than that in Case II. Over the ocean, direct radiative effects dominate the heating rate changes in the lower atmosphere lacking such surface and lower atmosphere adjustments due to fixed sea surface temperature, and the strongest atmospheric warming is obtained in Case I. Consequently, atmospheric dynamics (boundary layer heights and meridional circulation) and thermodynamic processes (water vapor and cloudiness) are shown to respond

Numerical implementation and oceanographic application of the thermodynamic potentials of water, vapour, ice, seawater and air - Part 2: The library routines

NASA Astrophysics Data System (ADS)

Wright, D. G.; Feistel, R.; Reissmann, J. H.; Miyagawa, K.; Jackett, D. R.; Wagner, W.; Overhoff, U.; Guder, C.; Feistel, A.; Marion, G. M.

2010-03-01

The SCOR/IAPSO1 Working Group 127 on Thermodynamics and Equation of State of Seawater has prepared recommendations for new methods and algorithms for numerical estimation of the thermophysical properties of seawater. As an outcome of this work, a new International Thermodynamic Equation of Seawater (TEOS-10) was endorsed by IOC/UNESCO2 in June 2009 as the official replacement and extension of the 1980 International Equation of State, EOS-80. As part of this new standard a source code package has been prepared that is now made freely available to users via the World Wide Web. This package includes two libraries referred to as the SIA (Sea-Ice-Air) library and the GSW (Gibbs SeaWater) library. Information on the GSW library may be found on the TEOS-10 web site (http://www.TEOS-10.org). This publication provides an introduction to the SIA library which contains routines to calculate various thermodynamic properties as discussed in the companion paper. The SIA library is very comprehensive, including routines to deal with fluid water, ice, seawater and humid air as well as equilibrium states involving various combinations of these, with equivalent code developed in different languages. The code is hierachically structured in modules that support (i) almost unlimited extension with respect to additional properties or relations, (ii) an extraction of self-contained sub-libraries, (iii) separate updating of the empirical thermodynamic potentials, and (iv) code verification on different platforms and between different languages. Error trapping is implemented to identify when one or more of the primary routines are accessed significantly beyond their established range of validity. The initial version of the SIA library is available in Visual Basic and FORTRAN as a supplement to this publication and updates will be maintained on the TEOS-10 web site. 1 SCOR/IAPSO: Scientific Committee on Oceanic Research

Nonequilibrium air radiation (Nequair) program: User's manual

NASA Technical Reports Server (NTRS)

Park, C.

1985-01-01

A supplement to the data relating to the calculation of nonequilibrium radiation in flight regimes of aeroassisted orbital transfer vehicles contains the listings of the computer code NEQAIR (Nonequilibrium Air Radiation), its primary input data, and explanation of the user-supplied input variables. The user-supplied input variables are the thermodynamic variables of air at a given point, i.e., number densities of various chemical species, translational temperatures of heavy particles and electrons, and vibrational temperature. These thermodynamic variables do not necessarily have to be in thermodynamic equilibrium. The code calculates emission and absorption characteristics of air under these given conditions.

Assimilation of Thermodynamic and Dynamic Boundary Layer Profiler Data

NASA Astrophysics Data System (ADS)

Crowell, S.; Turner, D. D.; Otkin, J.

2012-12-01

In 2009, the National Research Council issued a report stating that a fundamental limitation to our understanding of mesoscale meteorological phenomena is the absence of adequate observations in the atmospheric boundary layer. In Otkin et al (2011) and Hartung et al (2011), an Observing Systems Simulation Experiment was described that concluded that the inclusion of thermodynamic retrievals from instruments like the Atmospheric Emitted Radiance Interferometer, together with wind observations from a Doppler lidar, could improve precipitation forecast skill scores using an ensemble Kalman filter (DART) together with the Weather Research and Forecasting Model (WRF). Here we discuss a second set of experiments in which the density of the proposed profiler network was doubled. Surprisingly, the results were only marginally better, and in some cases were degraded. This can be seen to be an effect of decreasing spread in the location of the strongest atmospheric gradients. An alternate set of experiments was performed with the 3D Variational framework, with the background error correlation length scales being tuned to match the EnKF localization as closely as possible. Interestingly, the 3DVar solutions exhibit qualitatively different responses to the assimilation of the observations than the EnKF solutions, with the placement and magnitude of the precipitation being improved, as determined by examining model precipitation on transects passing orthogonal to the front. A second case study will also be presented, in which we explore the relative importance of model error and observations for a springtime convective cased modeled on the May 24, 2011 tornado outbreak that passed through Texas, Oklahoma and Kansas. The sensitivity of convective processes to subgrid physics parameterizations can be seen to be a challenging problem for a data assimilation system, regardless of the quality of the observations being assimilated. Rather than using precipitation as the metric for

Thermodynamic Studies for Drug Design and Screening

PubMed Central

Garbett, Nichola C.; Chaires, Jonathan B.

2012-01-01

Introduction A key part of drug design and development is the optimization of molecular interactions between an engineered drug candidate and its binding target. Thermodynamic characterization provides information about the balance of energetic forces driving binding interactions and is essential for understanding and optimizing molecular interactions. Areas covered This review discusses the information that can be obtained from thermodynamic measurements and how this can be applied to the drug development process. Current approaches for the measurement and optimization of thermodynamic parameters are presented, specifically higher throughput and calorimetric methods. Relevant literature for this review was identified in part by bibliographic searches for the period 2004 – 2011 using the Science Citation Index and PUBMED and the keywords listed below. Expert opinion The most effective drug design and development platform comes from an integrated process utilizing all available information from structural, thermodynamic and biological studies. Continuing evolution in our understanding of the energetic basis of molecular interactions and advances in thermodynamic methods for widespread application are essential to realize the goal of thermodynamically-driven drug design. Comprehensive thermodynamic evaluation is vital early in the drug development process to speed drug development towards an optimal energetic interaction profile while retaining good pharmacological properties. Practical thermodynamic approaches, such as enthalpic optimization, thermodynamic optimization plots and the enthalpic efficiency index, have now matured to provide proven utility in design process. Improved throughput in calorimetric methods remains essential for even greater integration of thermodynamics into drug design. PMID:22458502

Evaluation of the Impact of Atmospheric Infrared Sounder (AIRS) Radiance and Profile Data Assimilation in Partly Cloudy Regions

NASA Technical Reports Server (NTRS)

Zavodsky, Bradley; Srikishen, Jayanthi; Jedlovec, Gary

2013-01-01

Improvements to global and regional numerical weather prediction have been demonstrated through assimilation of data from NASA s Atmospheric Infrared Sounder (AIRS). Current operational data assimilation systems use AIRS radiances, but impact on regional forecasts has been much smaller than for global forecasts. Retrieved profiles from AIRS contain much of the information that is contained in the radiances and may be able to reveal reasons for this reduced impact. Assimilating AIRS retrieved profiles in an identical analysis configuration to the radiances, tracking the quantity and quality of the assimilated data in each technique, and examining analysis increments and forecast impact from each data type can yield clues as to the reasons for the reduced impact. By doing this with regional scale models individual synoptic features (and the impact of AIRS on these features) can be more easily tracked. This project examines the assimilation of hyperspectral sounder data used in operational numerical weather prediction by comparing operational techniques used for AIRS radiances and research techniques used for AIRS retrieved profiles. Parallel versions of a configuration of the Weather Research and Forecasting (WRF) model with Gridpoint Statistical Interpolation (GSI) are run to examine the impact AIRS radiances and retrieved profiles. Statistical evaluation of 6 weeks of forecast runs will be compared along with preliminary results of in-depth investigations for select case comparing the analysis increments in partly cloudy regions and short-term forecast impacts.

Study on the impact of industrial flue gases on the PCDD/Fs congener profile in ambient air.

PubMed

Węgiel, Małgorzata; Chrząszcz, Ryszard; Maślanka, Anna; Grochowalski, Adam

2014-11-01

The aim of this study was to examine the impact of emissions from combustion processes from sinter, medical, waste and sewage waste incineration plants on the PCDD and PCDF congener profile in ambient air in Krakow (city in Poland). The subject matter of the study were air samples from the outskirts and the city center. It was found that in flue gases from industrial sources and in ambient air the share of PCDF congeners in relation to the total content of PCDD/Fs was higher than the share of PCDDs. However, in air samples collected in the city center, this relationship was reversed. The PCDD congener profiles in flue gases and in air samples are comparable. However, in the samples from the city centre, the share of OCDD is significantly higher and amounts to about 80%. The PCDF congener shares show higher spatial diversity, although in all the analyzed air samples, ODCF and 1,2,3,4,6,7,8 HpCDF dominated. Analyzing the share of congeners in regard to the sum of PCDDs/Fs a mutual resemblance of air from the suburbs, exhaust gases from the sinter ore and sewage sludge incinerator plant was observed. The study showed a similarity between the profile of congeners in air from the city centre and exhaust gases from the medical waste incinerator. Copyright © 2014 Elsevier Ltd. All rights reserved.

Thermodynamics in the Suppressed Phase of the Madden-Julian Oscillation Using a Multiplatform Strategy

NASA Technical Reports Server (NTRS)

Roberts, J. Brent; Robertson, Franklin R.; Clayson, Carol Anne; Taylor, Patrick

2014-01-01

The Madden-Julian Oscillation (MJO) represents a prominent mode of intraseasonal tropical variability. It is manifest by coherent large-scale changes in atmospheric circulation, convection, and thermodynamic processes. Preconditioning of the environment prior to the active phase of the MJO has been noted, but the balance of theorized mechanisms to accomplish this process remains unresolved. Further, there is a lack of consensus on the means by which primary initiation of an MJO event occurs. Observational and modeling efforts have recently been undertaken to advance our understanding of the physical underpinnings governing MJO development. However these intensive studies are often limited in space and/or time and are potentially subject to model deficiencies. Satellite observations, especially those providing vertical resolution of temperature and moisture, provide an opportunity to expand our knowledge of processes critical to MJO initiation and preconditioning. This work will provide an analysis of suppressed phase thermodynamics with an emphasis on the use of a complementary suite of satellite observations including AIRS/AMSU-A profiles, CERES radiative fluxes, and cloud properties observed by MODIS. Emphasis of this work will regard the distribution of cloud regimes, their radiative-convective effects, and their relationship to moist static energy during the recharge and suppressed stages of MJO initiation and eastward propagation. The analyses will make use of cloud regimes from MODIS observations to provide a compositing technique that enables the identification of systematic connections between different cloud regimes and the larger scale environment. Within these cloud regimes, the relationship between the associated cloud-radiative effects observed by CERES, vertically-resolved and vertically-integrated thermodynamics using AIRS/AMSU-A observations, and atmospheric boundary layer fluxes will be demonstrated.

Thermodynamic Model of Afterburning in Explosions

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

Kuhl, A L; Howard, M; Fried, L

2003-04-23

Thermodynamic states encountered during afterburning of explosion products gases in air were analyzed with the Cheetah code. Results are displayed in the form of Le Chatelier diagrams: the locus of states of specific internal energy versus temperature, for six different condensed explosives charges. Accuracy of the results was confirmed by comparing the fuel and products curves with the heats of detonation and combustion, and species composition as measured in bomb calorimeter experiments. Results were fit with analytic functions u = f ( T ) suitable for specifying the thermodynamic properties required for gas-dynamic models of afterburning in explosions.

He I lines in B stars - Comparison of non-local thermodynamic equilibrium models with observations

NASA Technical Reports Server (NTRS)

Heasley, J. N.; Timothy, J. G.; Wolff, S. C.

1982-01-01

Profiles of He gamma-gamma 4026, 4387, 4471, 4713, 5876, and 6678 have been obtained in 17 stars of spectral type B0-B5. Parameters of the nonlocal thermodynamic equilibrium models appropriate to each star are determined from the Stromgren index and fits to H-alpha line profiles. These parameters yield generally good fits to the observed He I line profiles, with the best fits being found for the blue He I lines where departures from local thermodynamic equilibrium are relatively small. For the two red lines it is found that, in the early B stars and in stars with log g less than 3.5, both lines are systematically stronger than predicted by the nonlocal thermodynamic equilibrium models.

Temperature lapse rates at restricted thermodynamic equilibrium. Part II: Saturated air and further discussions

NASA Astrophysics Data System (ADS)

Björnbom, Pehr

2016-03-01

In the first part of this work equilibrium temperature profiles in fluid columns with ideal gas or ideal liquid were obtained by numerically minimizing the column energy at constant entropy, equivalent to maximizing column entropy at constant energy. A minimum in internal plus potential energy for an isothermal temperature profile was obtained in line with Gibbs' classical equilibrium criterion. However, a minimum in internal energy alone for adiabatic temperature profiles was also obtained. This led to a hypothesis that the adiabatic lapse rate corresponds to a restricted equilibrium state, a type of state in fact discussed already by Gibbs. In this paper similar numerical results for a fluid column with saturated air suggest that also the saturated adiabatic lapse rate corresponds to a restricted equilibrium state. The proposed hypothesis is further discussed and amended based on the previous and the present numerical results and a theoretical analysis based on Gibbs' equilibrium theory.

Cloud and Thermodynamic Parameters Retrieved from Satellite Ultraspectral Infrared Measurements

NASA Technical Reports Server (NTRS)

Zhou, Daniel K.; Smith, William L.; Larar, Allen M.; Liu, Xu; Taylor, Jonathan P.; Schluessel, Peter; Strow, L. Larrabee; Mango, Stephen A.

2008-01-01

Atmospheric-thermodynamic parameters and surface properties are basic meteorological parameters for weather forecasting. A physical geophysical parameter retrieval scheme dealing with cloudy and cloud-free radiance observed with satellite ultraspectral infrared sounders has been developed and applied to the Infrared Atmospheric Sounding Interferometer (IASI) and the Atmospheric InfraRed Sounder (AIRS). The retrieved parameters presented herein are from radiance data gathered during the Joint Airborne IASI Validation Experiment (JAIVEx). JAIVEx provided intensive aircraft observations obtained from airborne Fourier Transform Spectrometer (FTS) systems, in-situ measurements, and dedicated dropsonde and radiosonde measurements for the validation of the IASI products. Here, IASI atmospheric profile retrievals are compared with those obtained from dedicated dropsondes, radiosondes, and the airborne FTS system. The IASI examples presented here demonstrate the ability to retrieve fine-scale horizontal features with high vertical resolution from satellite ultraspectral sounder radiance spectra.

Measuring centimeter-resolution air temperature profiles above land and water using fiber-optic Distributed Temperature Sensing

NASA Astrophysics Data System (ADS)

Sigmund, Armin; Pfister, Lena; Olesch, Johannes; Thomas, Christoph K.

2016-04-01

The precise determination of near-surface air temperature profiles is of special importance for the characterization of airflows (e.g. cold air) and the quantification of sensible heat fluxes according to the flux-gradient similarity approach. In contrast to conventional multi-sensor techniques, measuring temperature profiles using fiber-optic Distributed Temperature Sensing (DTS) provides thousands of measurements referenced to a single calibration standard at much reduced costs. The aim of this work was to enhance the vertical resolution of Raman scatter DTS measurements up to the centimeter-scale using a novel approach for atmospheric applications: the optical fiber was helically coiled around a meshed fabric. In addition to testing the new fiber geometry, we quantified the measurement uncertainty and demonstrated the benefits of the enhanced-resolution profiles. The fiber-optic cable was coiled around a hollow column consisting of white reinforcing fabric supported by plexiglass rings every meter. Data from two columns of this type were collected for 47 days to measure air temperature vertically over 3.0 and 5.1 m over a gently inclined meadow and over and in a small lake, respectively. Both profiles had a vertical resolution of 1 cm in the lower section near the surface and 5 cm in the upper section with an along-fiber instrument-specific averaging of 1.0 m and a temporal resolution of 30 s. Measurement uncertainties, especially from conduction between reinforcing fabric and fiber-optic cable, were estimated by modeling the fiber temperature via a detailed energy balance approach. Air temperature, wind velocity and radiation components were needed as input data and measured separately. The temperature profiles revealed valuable details, especially in the lowest 1 m above surface. This was best demonstrated for nighttime observations when artefacts due to solar heating did not occur. For example, the dynamics of a cold air layer was detected in a clear night

Air-Induced Drag Reduction at High Reynolds Numbers: Velocity and Void Fraction Profiles

NASA Astrophysics Data System (ADS)

Elbing, Brian; Mäkiharju, Simo; Wiggins, Andrew; Dowling, David; Perlin, Marc; Ceccio, Steven

2010-11-01

The injection of air into a turbulent boundary layer forming over a flat plate can reduce the skin friction. With sufficient volumetric fluxes an air layer can separate the solid surface from the flowing liquid, which can produce drag reduction in excess of 80%. Several large scale experiments have been conducted at the US Navy's Large Cavitation Channel on a 12.9 m long flat plate model investigating bubble drag reduction (BDR), air layer drag reduction (ALDR) and the transition between BDR and ALDR. The most recent experiment acquired phase velocities and void fraction profiles at three downstream locations (3.6, 5.9 and 10.6 m downstream from the model leading edge) for a single flow speed (˜6.4 m/s). The profiles were acquired with a combination of electrode point probes, time-of-flight sensors, Pitot tubes and an LDV system. Additional diagnostics included skin-friction sensors and flow-field image visualization. During this experiment the inlet flow was perturbed with vortex generators immediately upstream of the injection location to assess the robustness of the air layer. From these, and prior measurements, computational models can be refined to help assess the viability of ALDR for full-scale ship applications.

Description of saturation curves and boiling process of dry air

NASA Astrophysics Data System (ADS)

Vestfálová, Magda; Petříková, Markéta; Šimko, Martin

2018-06-01

Air is a mixture of gases forming the gas wrap of Earth. It is formed by dry air, moisture and other pollutants. Dry air is a substance whose thermodynamic properties in gaseous state, as well as the thermodynamic properties of its main constituents in gaseous state, are generally known and described in detail in the literature. The liquid air is a bluish liquid and is industrially used to produce oxygen, nitrogen, argon and helium by distillation. The transition between the gaseous and liquid state (the condensation process, resp. boiling process), is usually displayed in the basic thermodynamic diagrams using the saturation curves. The saturation curves of all pure substances are of a similar shape. However, since the dry air is a mixture, the shapes of its saturation curves are modified relative to the shapes corresponding to the pure substances. This paper deals with the description of the dry air saturation curves as a mixture, i.e. with a description of the process of phase change of dry air (boiling process). The dry air saturation curves are constructed in the basic thermodynamic charts based on the values obtained from the literature. On the basis of diagrams, data appearing in various publications are interpreted and put into context with boiling process of dry air.

Thermodynamic DFT analysis of natural gas.

PubMed

Neto, Abel F G; Huda, Muhammad N; Marques, Francisco C; Borges, Rosivaldo S; Neto, Antonio M J C

2017-08-01

Density functional theory was performed for thermodynamic predictions on natural gas, whose B3LYP/6-311++G(d,p), B3LYP/6-31+G(d), CBS-QB3, G3, and G4 methods were applied. Additionally, we carried out thermodynamic predictions using G3/G4 averaged. The calculations were performed for each major component of seven kinds of natural gas and to their respective air + natural gas mixtures at a thermal equilibrium between room temperature and the initial temperature of a combustion chamber during the injection stage. The following thermodynamic properties were obtained: internal energy, enthalpy, Gibbs free energy and entropy, which enabled us to investigate the thermal resistance of fuels. Also, we estimated an important parameter, namely, the specific heat ratio of each natural gas; this allowed us to compare the results with the empirical functions of these parameters, where the B3LYP/6-311++G(d,p) and G3/G4 methods showed better agreements. In addition, relevant information on the thermal and mechanic resistance of natural gases were investigated, as well as the standard thermodynamic properties for the combustion of natural gas. Thus, we show that density functional theory can be useful for predicting the thermodynamic properties of natural gas, enabling the production of more efficient compositions for the investigated fuels. Graphical abstract Investigation of the thermodynamic properties of natural gas through the canonical ensemble model and the density functional theory.

Thermodynamic and transport combustion properties of hydrocarbons with air. Part 1: Properties in SI units

NASA Technical Reports Server (NTRS)

Gordon, S.

1982-01-01

Thermodynamic and transport combustion properties were calculated for a wide range of conditions for the reaction of hydrocarbons with air. Three hydrogen-carbon atom ratios (H/C = 1.7, 2.0, 2.1) were selected to represent the range of aircraft fuels. For each of these H/C ratios, combustion properties were calculated for the following conditions: Equivalence ratio: 0, 0.25, 0.5, 0.75, 1.0, 1.25 Water - dry air mass ratio: 0, 0.03 Pressure, kPa: 1.01325, 10.1325, 101.325, 1013.25, 5066.25 (or in atm: 0.01, 0.1, 1, 10, 50) Temperature, K: every 10 degrees from 200 to 900 K; every 50 degrees from 900 to 3000 K Temperature, R: every 20 degrees from 360 to 1600 R; very 100 degrees from 1600 to 5400 R. The properties presented are composition, density, molecular weight, enthalphy, entropy, specific heat at constant pressure, volume derivatives, isentropic exponent, velocity of sound, viscosity, thermal conductivity, and Prandtl number. Property tables are based on composites that were calculated by assuming both: (1) chemical equilibrium (for both homogeneous and heterogeneous phases) and (2) constant compositions for all temperatures. Properties in SI units are presented in this report for the Kelvin temperature schedules.

Air-Sea Interaction

NASA Astrophysics Data System (ADS)

Csanady, G. T.

2001-03-01

In recent years air-sea interaction has emerged as a subject in its own right, encompassing small-scale and large-scale processes in both air and sea. Air-Sea Interaction: Laws and Mechanisms is a comprehensive account of how the atmosphere and the ocean interact to control the global climate, what physical laws govern this interaction, and its prominent mechanisms. The topics covered range from evaporation in the oceans, to hurricanes, and on to poleward heat transport by the oceans. By developing the subject from basic physical (thermodynamic) principles, the book is accessible to graduate students and research scientists in meteorology, oceanography, and environmental engineering. It will also be of interest to the broader physics community involved in the treatment of transfer laws, and thermodynamics of the atmosphere and ocean.

The Thermodynamic Structure of Arctic Coastal Fog Occurring During the Melt Season over East Greenland

NASA Astrophysics Data System (ADS)

Gilson, Gaëlle F.; Jiskoot, Hester; Cassano, John J.; Gultepe, Ismail; James, Timothy D.

2018-05-01

An automated method to classify Arctic fog into distinct thermodynamic profiles using historic in-situ surface and upper-air observations is presented. This classification is applied to low-resolution Integrated Global Radiosonde Archive (IGRA) soundings and high-resolution Arctic Summer Cloud Ocean Study (ASCOS) soundings in low- and high-Arctic coastal and pack-ice environments. Results allow investigation of fog macrophysical properties and processes in coastal East Greenland during melt seasons 1980-2012. Integrated with fog observations from three synoptic weather stations, 422 IGRA soundings are classified into six fog thermodynamic types based on surface saturation ratio, type of temperature inversion, fog-top height relative to inversion-base height and stability using the virtual potential temperature gradient. Between 65-80% of fog observations occur with a low-level inversion, and statically neutral or unstable surface layers occur frequently. Thermodynamic classification is sensitive to the assigned dew-point depression threshold, but categorization is robust. Despite differences in the vertical resolution of radiosonde observations, IGRA and ASCOS soundings yield the same six fog classes, with fog-class distribution varying with latitude and environmental conditions. High-Arctic fog frequently resides within an elevated inversion layer, whereas low-Arctic fog is more often restricted to the mixed layer. Using supplementary time-lapse images, ASCOS microwave radiometer retrievals and airmass back-trajectories, we hypothesize that the thermodynamic classes represent different stages of advection fog formation, development, and dissipation, including stratus-base lowering and fog lifting. This automated extraction of thermodynamic boundary-layer and inversion structure can be applied to radiosonde observations worldwide to better evaluate fog conditions that affect transportation and lead to improvements in numerical models.

A two-dimensional statistical framework connecting thermodynamic profiles with filaments in the scrape off layer and application to experiments

NASA Astrophysics Data System (ADS)

Militello, F.; Farley, T.; Mukhi, K.; Walkden, N.; Omotani, J. T.

2018-05-01

A statistical framework was introduced in Militello and Omotani [Nucl. Fusion 56, 104004 (2016)] to correlate the dynamics and statistics of L-mode and inter-ELM plasma filaments with the radial profiles of thermodynamic quantities they generate in the Scrape Off Layer. This paper extends the framework to cases in which the filaments are emitted from the separatrix at different toroidal positions and with a finite toroidal velocity. It is found that the toroidal velocity does not affect the profiles, while the toroidal distribution of filament emission renormalises the waiting time between two events. Experimental data collected by visual camera imaging are used to evaluate the statistics of the fluctuations, to inform the choice of the probability distribution functions used in the application of the framework. It is found that the toroidal separation of the filaments is exponentially distributed, thus suggesting the lack of a toroidal modal structure. Finally, using these measurements, the framework is applied to an experimental case and good agreement is found.

Thermodynamic States in Explosion Fields

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

Kuhl, A L

2009-10-16

Here we investigate the thermodynamic states occurring in explosion fields from the detonation of condensed explosives in air. In typical applications, the pressure of expanded detonation products gases is modeled by a Jones-Wilkins-Lee (JWL) function: P{sub JWL} = f(v,s{sub CJ}); constants in that function are fit to cylinder test data. This function provides a specification of pressure as a function of specific volume, v, along the expansion isentrope (s = constant = s{sub CJ}) starting at the Chapman-Jouguet (CJ) state. However, the JWL function is not a fundamental equation of thermodynamics, and therefore gives an incomplete specification of states. Formore » example, explosions inherently involve shock reflections from surfaces; this changes the entropy of the products, and in such situations the JWL function provides no information on the products states. In addition, most explosives are not oxygen balanced, so if hot detonation products mix with air, they after-burn, releasing the heat of reaction via a turbulent combustion process. This raises the temperature of explosion products cloud to the adiabatic flame temperature ({approx}3,000K). Again, the JWL function provides no information on the combustion products states.« less

Sensitivity of Short-Term Weather Forecasts to Assimilated AIRS Data: Implications for NPOESS Applications

NASA Technical Reports Server (NTRS)

Zavodsky, Bradley; McCarty, Will; Chou, Shih-Hung; Jedlovec, Gary

2009-01-01

The Atmospheric Infrared Sounder (AIRS) is acting as a heritage and risk reduction instrument for the Cross-track lnfrared Sounder (CrIS) to be flown aboard the NPP and NPOESS satellites. The hyperspectral nature of AIRS and CrIS provides high-quality soundings that, along with their asynoptic observation time over North America, make them attractive sources to fill the spatial and temporal data voids in upper air temperature and moisture measurements for use in data assimilation and numerical weather prediction. Observations from AlRS can be assimilated either as direct radiances or retrieved thermodynamic profiles, and the Short-Term Prediction Research and Transition (SPORT) Center at NASA's Marshall Space Flight Center has used both data types to improve short-term (0-48h), regional forecasts. The purpose of this paper is to share SPORT'S experiences using AlRS radiances and retrieved profiles in regional data assimilation activities by showing that proper handling of issues-including cloud contamination and land emissivity characterization-are necessary to produce optimal analyses and forecasts.

Investigation of thermodynamic equilibrium in laser-induced aluminum plasma using the H{sub α} line profiles and Thomson scattering spectra

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

Cvejić, M., E-mail: marko.cvejic@ipb.ac.rs, E-mail: krzysztof.dzierzega@uj.edu.pl; Faculty of Physics, Weizmann Institute of Science, Rehovot 7610001; Dzierżęga, K., E-mail: marko.cvejic@ipb.ac.rs, E-mail: krzysztof.dzierzega@uj.edu.pl

2015-07-13

We have studied isothermal equilibrium in the laser-induced plasma from aluminum pellets in argon at pressure of 200 mbar by using a method which combines the standard laser Thomson scattering and analysis of the H{sub α}, Stark-broadened, line profiles. Plasma was created using 4.5 ns, 4 mJ pulses from a Nd:YAG laser at 1064 nm. While electron density and temperature were determined from the electron feature of Thomson scattering spectra, the heavy particle temperature was obtained from the H{sub α} full profile applying computer simulation including ion-dynamical effects. We have found strong imbalance between these two temperatures during entire plasma evolution whichmore » indicates its non-isothermal character. At the same time, according to the McWhirter criterion, the electron density was high enough to establish plasma in local thermodynamic equilibrium.« less

Numerical implementation and oceanographic application of the thermodynamic potentials of liquid water, water vapour, ice, seawater and humid air - Part 2: The library routines

NASA Astrophysics Data System (ADS)

Wright, D. G.; Feistel, R.; Reissmann, J. H.; Miyagawa, K.; Jackett, D. R.; Wagner, W.; Overhoff, U.; Guder, C.; Feistel, A.; Marion, G. M.

2010-07-01

The SCOR/IAPSO1 Working Group 127 on Thermodynamics and Equation of State of Seawater has prepared recommendations for new methods and algorithms for numerical estimation of the the thermophysical properties of seawater. As an outcome of this work, a new International Thermodynamic Equation of Seawater (TEOS-10) was endorsed by IOC/UNESCO2 in June 2009 as the official replacement and extension of the 1980 International Equation of State, EOS-80. As part of this new standard a source code package has been prepared that is now made freely available to users via the World Wide Web. This package includes two libraries referred to as the SIA (Sea-Ice-Air) library and the GSW (Gibbs SeaWater) library. Information on the GSW library may be found on the TEOS-10 web site (http://www.TEOS-10.org). This publication provides an introduction to the SIA library which contains routines to calculate various thermodynamic properties as discussed in the companion paper. The SIA library is very comprehensive, including routines to deal with fluid water, ice, seawater and humid air as well as equilibrium states involving various combinations of these, with equivalent code developed in different languages. The code is hierachically structured in modules that support (i) almost unlimited extension with respect to additional properties or relations, (ii) an extraction of self-contained sub-libraries, (iii) separate updating of the empirical thermodynamic potentials, and (iv) code verification on different platforms and between different languages. Error trapping is implemented to identify when one or more of the primary routines are accessed significantly beyond their established range of validity. The initial version of the SIA library is available in Visual Basic and FORTRAN as a supplement to this publication and updates will be maintained on the TEOS-10 web site. 1SCOR/IAPSO: Scientific Committee on Oceanic Research

Interfacial thermodynamics of water and six other liquid solvents.

PubMed

Pascal, Tod A; Goddard, William A

2014-06-05

We examine the thermodynamics of the liquid-vapor interface by direct calculation of the surface entropy, enthalpy, and free energy from extensive molecular dynamics simulations using the two-phase thermodynamics (2PT) method. Results for water, acetonitrile, cyclohexane, dimethyl sulfoxide, hexanol, N-methyl acetamide, and toluene are presented. We validate our approach by predicting the interfacial surface tensions (IFT--excess surface free energy per unit area) in excellent agreement with the mechanical calculations using Kirkwood-Buff theory. Additionally, we evaluate the temperature dependence of the IFT of water as described by the TIP4P/2005, SPC/Ew, TIP3P, and mW classical water models. We find that the TIP4P/2005 and SPC/Ew water models do a reasonable job of describing the interfacial thermodynamics; however, the TIP3P and mW are quite poor. We find that the underprediction of the experimental IFT at 298 K by these water models results from understructured surface molecules whose binding energies are too weak. Finally, we performed depth profiles of the interfacial thermodynamics which revealed long tails that extend far into what would be considered bulk from standard Gibbs theory. In fact, we find a nonmonotonic interfacial free energy profile for water, a unique feature that could have important consequences for the absorption of ions and other small molecules.

Entropy in self-similar shock profiles

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

Margolin, Len G.; Reisner, Jon Michael; Jordan, Pedro M.

In this paper, we study the structure of a gaseous shock, and in particular the distribution of entropy within, in both a thermodynamics and a statistical mechanics context. The problem of shock structure has a long and distinguished history that we review. We employ the Navier–Stokes equations to construct a self–similar version of Becker’s solution for a shock assuming a particular (physically plausible) Prandtl number; that solution reproduces the well–known result of Morduchow & Libby that features a maximum of the equilibrium entropy inside the shock profile. We then construct an entropy profile, based on gas kinetic theory, that ismore » smooth and monotonically increasing. The extension of equilibrium thermodynamics to irreversible processes is based in part on the assumption of local thermodynamic equilibrium. We show that this assumption is not valid except for the weakest shocks. Finally, we conclude by hypothesizing a thermodynamic nonequilibrium entropy and demonstrating that it closely estimates the gas kinetic nonequilibrium entropy within a shock.« less

Entropy in self-similar shock profiles

DOE PAGES

Margolin, Len G.; Reisner, Jon Michael; Jordan, Pedro M.

2017-07-16

In this paper, we study the structure of a gaseous shock, and in particular the distribution of entropy within, in both a thermodynamics and a statistical mechanics context. The problem of shock structure has a long and distinguished history that we review. We employ the Navier–Stokes equations to construct a self–similar version of Becker’s solution for a shock assuming a particular (physically plausible) Prandtl number; that solution reproduces the well–known result of Morduchow & Libby that features a maximum of the equilibrium entropy inside the shock profile. We then construct an entropy profile, based on gas kinetic theory, that ismore » smooth and monotonically increasing. The extension of equilibrium thermodynamics to irreversible processes is based in part on the assumption of local thermodynamic equilibrium. We show that this assumption is not valid except for the weakest shocks. Finally, we conclude by hypothesizing a thermodynamic nonequilibrium entropy and demonstrating that it closely estimates the gas kinetic nonequilibrium entropy within a shock.« less

Thermodynamic Performance and Cost Optimization of a Novel Hybrid Thermal-Compressed Air Energy Storage System Design

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

Houssainy, Sammy; Janbozorgi, Mohammad; Kavehpour, Pirouz

Compressed Air Energy Storage (CAES) can potentially allow renewable energy sources to meet electricity demands as reliably as coal-fired power plants. However, conventional CAES systems rely on the combustion of natural gas, require large storage volumes, and operate at high pressures, which possess inherent problems such as high costs, strict geological locations, and the production of greenhouse gas emissions. A novel and patented hybrid thermal-compressed air energy storage (HT-CAES) design is presented which allows a portion of the available energy, from the grid or renewable sources, to operate a compressor and the remainder to be converted and stored in themore » form of heat, through joule heating in a sensible thermal storage medium. The HT-CAES design incudes a turbocharger unit that provides supplementary mass flow rate alongside the air storage. The hybrid design and the addition of a turbocharger have the beneficial effect of mitigating the shortcomings of conventional CAES systems and its derivatives by eliminating combustion emissions and reducing storage volumes, operating pressures, and costs. Storage efficiency and cost are the two key factors, which upon integration with renewable energies would allow the sources to operate as independent forms of sustainable energy. The potential of the HT-CAES design is illustrated through a thermodynamic optimization study, which outlines key variables that have a major impact on the performance and economics of the storage system. The optimization analysis quantifies the required distribution of energy between thermal and compressed air energy storage, for maximum efficiency, and for minimum cost. This study provides a roundtrip energy and exergy efficiency map of the storage system and illustrates a trade off that exists between its capital cost and performance.« less

Cloudiness over the Amazon rainforest: Meteorology and thermodynamics

NASA Astrophysics Data System (ADS)

Collow, Allison B. Marquardt; Miller, Mark A.; Trabachino, Lynne C.

2016-07-01

Comprehensive meteorological observations collected during GOAmazon2014/15 using the Atmospheric Radiation Measurement Mobile Facility no. 1 and assimilated observations from the Modern-Era Retrospective Analysis for Research and Applications, Version 2 are used to document the seasonal cycle of cloudiness, thermodynamics, and precipitation above the Amazon rainforest. The reversal of synoptic-scale vertical motions modulates the transition between the wet and dry seasons. Ascending moist air during the wet season originates near the surface of the Atlantic Ocean and is advected into the Amazon rainforest, where it experiences convergence and, ultimately, precipitates. The dry season is characterized by weaker winds and synoptic-scale subsidence with little or no moisture convergence accompanying moisture advection. This combination results in the drying of the midtroposphere during June through October as indicated by a decrease in liquid water path, integrated water, and the vertical profile of water vapor mixing ratio. The vertical profile of cloud fraction exhibits a relatively consistent decline in cloud fraction from the lifting condensation level (LCL) to the freezing level where a minimum is observed, unlike many other tropical regions. Coefficients of determination between the LCL and cloud fractional coverage suggest a relatively robust relationship between the LCL and cloudiness beneath 5 km during the dry season (R2 = 0.42) but a weak relationship during the wet season (0.12).

AirMOSS P-Band Radar Retrieval of Subcanopy Soil Moisture Profile

NASA Astrophysics Data System (ADS)

Tabatabaeenejad, A.; Burgin, M. S.; Duan, X.; Moghaddam, M.

2013-12-01

Knowledge of soil moisture, as a key variable of the Earth system, plays an important role in our under-standing of the global water, energy, and carbon cycles. The importance of such knowledge has led NASA to fund missions such as Soil Moisture Active and Passive (SMAP) and Airborne Microwave Observatory of Subcanopy and Subsurface (AirMOSS). The AirMOSS mission seeks to improve the estimates of the North American Net Ecosystem Exchange (NEE) by providing high-resolution observations of the root zone soil moisture (RZSM) over regions representative of the major North American biomes. AirMOSS flies a P-band SAR to penetrate vegetation and into the root zone to provide estimates of RZSM. The flights cover areas containing flux tower sites in regions from the boreal forests in Saskatchewan, Canada, to the tropical forests in La Selva, Costa Rica. The radar snapshots are used to generate estimates of RZSM via inversion of a scattering model of vegetation overlying soils with variable moisture profiles. These retrievals will be used to generate a time record of RZSM, which will be integrated with an ecosystem demography model in order to estimate the respiration and photosynthesis carbon fluxes. The aim of this work is the retrieval of the moisture profile over AirMOSS sites using the collected P-band radar data. We have integrated layered-soil scattering models into a forest scattering model; for the backscattering from ground and for the trunk-ground double-bounce mechanism, we have used a layered small perturbation method and a coherent scattering model of layered soil, respectively. To estimate the soil moisture profile, we represent it as a second-order polynomial in the form of az2 + bz + c, where z is the depth and a, b, and c are the coefficients to be retrieved from radar measurements. When retrieved, these coefficients give us the soil moisture up to a prescribed depth of validity. To estimate the unknown coefficients of the polynomial, we use simulated

Thermodynamic and transport properties of air/water mixtures

NASA Technical Reports Server (NTRS)

Fessler, T. E.

1981-01-01

Subroutine WETAIR calculates properties at nearly 1,500 K and 4,500 atmospheres. Necessary inputs are assigned values of combinations of density, pressure, temperature, and entropy. Interpolation of property tables obtains dry air and water (steam) properties, and simple mixing laws calculate properties of air/water mixture. WETAIR is used to test gas turbine engines and components operating in relatively humid air. Program is written in SFTRAN and FORTRAN.

The 2006 Cape Canaveral Air Force Station Range Reference Atmosphere Model Validation Study and Sensitivity Analysis to the National Aeronautics and Space Administration's Space Shuttle

NASA Technical Reports Server (NTRS)

Decker, Ryan; Burns, Lee; Merry, Carl; Harrington, Brian

2008-01-01

NASA's Space Shuttle utilizes atmospheric thermodynamic properties to evaluate structural dynamics and vehicle flight performance impacts by the atmosphere during ascent. Statistical characteristics of atmospheric thermodynamic properties at Kennedy Space Center (KSC) used in Space. Shuttle Vehicle assessments are contained in the Cape Canaveral Air Force Station (CCAFS) Range Reference Atmosphere (RRA) Database. Database contains tabulations for monthly and annual means (mu), standard deviations (sigma) and skewness of wind and thermodynamic variables. Wind, Thermodynamic, Humidity and Hydrostatic parameters 1 km resolution interval from 0-30 km 2 km resolution interval 30-70 km Multiple revisions of the CCAFS RRA database have been developed since initial RRA published in 1963. 1971, 1983, 2006 Space Shuttle program utilized 1983 version for use in deriving "hot" and "cold" atmospheres, atmospheric density dispersions for use in vehicle certification analyses and selection of atmospheric thermodynamic profiles for use in vehicle ascent design and certification analyses. During STS-114 launch preparations in July 2005 atmospheric density observations between 50-80 kft exceeded density limits used for aerodynamic ascent heating constraints in vehicle certification analyses. Mission specific analyses were conducted and concluded that the density bias resulted in small changes to heating rates and integrated heat loading on the vehicle. In 2001, the Air Force Combat Climatology Center began developing an updated RRA for CCAFS.

A passive air sampler for characterizing the vertical concentration profile of gaseous phase polycyclic aromatic hydrocarbons in near soil surface air.

PubMed

Zhang, Yuzhong; Deng, Shuxing; Liu, Yanan; Shen, Guofeng; Li, Xiqing; Cao, Jun; Wang, Xilong; Reid, Brian; Tao, Shu

2011-03-01

Air-soil exchange is an important process governing the fate of polycyclic aromatic hydrocarbons (PAHs). A novel passive air sampler was designed and tested for measuring the vertical concentration profile of 4 low molecular weight PAHs in gaseous phase (PAH(LMW4)) in near soil surface air. Air at various heights from 5 to 520 mm above the ground was sampled by polyurethane foam disks held in down-faced cartridges. The samplers were tested at three sites: A: an extremely contaminated site, B: a site near A, and C: a background site on a university campus. Vertical concentration gradients were revealed for PAH(LMW4) within a thin layer close to soil surface at the three sites. PAH concentrations either decreased (Site A) or increased (Sites B and C) with height, suggesting either deposition to or evaporation from soils. The sampler is a useful tool for investigating air-soil exchange of gaseous phase semi-volatile organic chemicals. Copyright © 2010 Elsevier Ltd. All rights reserved.

An EQT-cDFT approach to determine thermodynamic properties of confined fluids.

PubMed

Mashayak, S Y; Motevaselian, M H; Aluru, N R

2015-06-28

We present a continuum-based approach to predict the structure and thermodynamic properties of confined fluids at multiple length-scales, ranging from a few angstroms to macro-meters. The continuum approach is based on the empirical potential-based quasi-continuum theory (EQT) and classical density functional theory (cDFT). EQT is a simple and fast approach to predict inhomogeneous density and potential profiles of confined fluids. We use EQT potentials to construct a grand potential functional for cDFT. The EQT-cDFT-based grand potential can be used to predict various thermodynamic properties of confined fluids. In this work, we demonstrate the EQT-cDFT approach by simulating Lennard-Jones fluids, namely, methane and argon, confined inside slit-like channels of graphene. We show that the EQT-cDFT can accurately predict the structure and thermodynamic properties, such as density profiles, adsorption, local pressure tensor, surface tension, and solvation force, of confined fluids as compared to the molecular dynamics simulation results.

Differential thermodynamic signature of carbon nanomaterials using amphiphilic micellar probe

NASA Astrophysics Data System (ADS)

Bhattacharyya, Tamoghna; Dasgupta, Anjan Kr

2018-04-01

The thermodynamic signature of single-wall carbon nanotubes (SWCNTs), multi-walled carbon nanotubes (MWCNTs) and reduced graphene oxide (rG-O) using amphiphilic micellar probe has been explored. The study reveals an intricate correlation between nano-surface topology and calorimetric profile of SWCNTs, MWCNTs and rG-O. The critical micelle concentration (CMC) is found to be sensitive to the topological diversity of nanomaterials. The study explores a thermodynamic approach to characterize the nano-surface topology of SWCNTs, MWCNTs and graphene surface.

Bias Correction for Assimilation of Retrieved AIRS Profiles of Temperature and Humidity

NASA Technical Reports Server (NTRS)

Blakenship, Clay; Zavodsky, Bradley; Blackwell, William

2014-01-01

The Atmospheric Infrared Sounder (AIRS) is a hyperspectral radiometer aboard NASA's Aqua satellite designed to measure atmospheric profiles of temperature and humidity. AIRS retrievals are assimilated into the Weather Research and Forecasting (WRF) model over the North Pacific for some cases involving "atmospheric rivers". These events bring a large flux of water vapor to the west coast of North America and often lead to extreme precipitation in the coastal mountain ranges. An advantage of assimilating retrievals rather than radiances is that information in partly cloudy fields of view can be used. Two different Level 2 AIRS retrieval products are compared: the Version 6 AIRS Science Team standard retrievals and a neural net retrieval from MIT. Before assimilation, a bias correction is applied to adjust each layer of retrieved temperature and humidity so the layer mean values agree with a short-term model climatology. WRF runs assimilating each of the products are compared against each other and against a control run with no assimilation. Forecasts are against ERA reanalyses.

Synthetic temperature profiles derived from Geosat altimetry: Comparison with air-dropped expendable bathythermograph profiles

NASA Astrophysics Data System (ADS)

Carnes, Michael R.; Mitchell, Jim L.; de Witt, P. Webb

1990-10-01

Synthetic temperature profiles are computed from altimeter-derived sea surface heights in the Gulf Stream region. The required relationships between surface height (dynamic height at the surface relative to 1000 dbar) and subsurface temperature are provided from regression relationships between dynamic height and amplitudes of empirical orthogonal functions (EOFs) of the vertical structure of temperature derived by de Witt (1987). Relationships were derived for each month of the year from historical temperature and salinity profiles from the region surrounding the Gulf Stream northeast of Cape Hatteras. Sea surface heights are derived using two different geoid estimates, the feature-modeled geoid and the air-dropped expendable bathythermograph (AXBT) geoid, both described by Carnes et al. (1990). The accuracy of the synthetic profiles is assessed by comparison to 21 AXBT profile sections which were taken during three surveys along 12 Geosat ERM ground tracks nearly contemporaneously with Geosat overflights. The primary error statistic considered is the root-mean-square (rms) difference between AXBT and synthetic isotherm depths. The two sources of error are the EOF relationship and the altimeter-derived surface heights. EOF-related and surface height-related errors in synthetic temperature isotherm depth are of comparable magnitude; each translates into about a 60-m rms isotherm depth error, or a combined 80 m to 90 m error for isotherms in the permanent thermocline. EOF-related errors are responsible for the absence of the near-surface warm core of the Gulf Stream and for the reduced volume of Eighteen Degree Water in the upper few hundred meters of (apparently older) cold-core rings in the synthetic profiles. The overall rms difference between surface heights derived from the altimeter and those computed from AXBT profiles is 0.15 dyn m when the feature-modeled geoid is used and 0.19 dyn m when the AXBT geoid is used; the portion attributable to altimeter

Interrelated structure of high altitude atmospheric profiles

NASA Technical Reports Server (NTRS)

Engler, N. A.; Goldschmidt, M. A.

1972-01-01

A preliminary development of a mathematical model to compute probabilities of thermodynamic profiles is presented. The model assumes an exponential expression for pressure and utilizes the hydrostatic law and equation of state in the determination of density and temperature. It is shown that each thermodynamic variable can be factored into the produce of steady state and perturbation functions. The steady state functions have profiles similar to those of the 1962 standard atmosphere while the perturbation functions oscillate about 1. Limitations of the model and recommendations for future work are presented.

Thermodynamics of the clusterization process of cis isomers of unsaturated fatty acids at the air/water interface.

PubMed

Vysotsky, Yu B; Belyaeva, E A; Fainerman, V B; Vollhardt, D; Aksenenko, E V; Miller, R

2009-04-02

In the framework of the semiempirical PM3 method, the thermodynamic parameters of cis isomers of unsaturated carboxylic acids at the air/water interface are studied. The model systems used are unsaturated cis fatty acid of the composition Delta = 12-15 and omega = 6-11, where Delta and omega refer to the number of carbon atoms between the functional group and double bond, and that between the double bond and methyl group, respectively. For dimers, trimers, and tetramers of the four acid series, the thermodynamic parameters of clusterization are calculated. It is shown that the position of the double bond does not significantly affect the values of thermodynamic parameters of formation and clusterization of carboxylic acids for equal chain lengths (n = Delta + omega). The calculated results show that for cis unsaturated fatty acid with odd Delta values the spontaneous clusterization threshold corresponds to n = 17-18 carbon atoms in the alkyl chain, while for monounsaturated acids with even Delta values this threshold corresponds to n = 18-19 carbon atoms in the alkyl chain. These differences in the clusterization threshold between the acids with even and odd Delta values are attributed to the formation of additional intermolecular hydrogen bonds between the ketonic oxygen atom of one monomer and the hydrogen atom linked to the alpha-carbon atom of the second monomer for the acids with odd Delta values or between the hydroxyl oxygen atom of one monomer and hydrogen atom linked to the alpha-carbon atom of the second monomer for the acids with even Delta values. The results obtained in the study agree satisfactorily with our experimental data for cis unsaturated nervonic (Delta15, omega9) and erucic acids (Delta13, omega9), and published data for some fatty acids, namely cis-16-heptadecenoic (Delta16, omega1), cis-9-hexadecenoic (Delta7, omega9), cis-11-eicosenoic (Delta11, omega9) and cis-9-octadecenoic acid (Delta9, omega9).

Demonstrating the Operational Value of Atmospheric Infrared Sounder (AIRS) Profiles in the Pre-Convective Environment

NASA Technical Reports Server (NTRS)

Kozlowski, Danielle; Zavodsky, Bradley; Stano, Geoffrey; Jedlovec, Gary

2011-01-01

The Short-term Prediction Research and Transition (SPoRT) is a project to transition those NASA observations and research capabilities to the weather forecasting community to improve the short-term regional forecasts. This poster reviews the work to demonstrate the value to these forecasts of profiles from the Atmospheric Infrared Sounder (AIRS) instrument on board the Aqua satellite with particular assistance in predicting thunderstorm forecasts by the profiles of the pre-convective environment.

Surface Emissivity Effects on Thermodynamic Retrieval of IR Spectral Radiance

NASA Technical Reports Server (NTRS)

Zhou, Daniel K.; Larar, Allen M.; Smith, William L.; Liu, Xu

2006-01-01

The surface emissivity effect on the thermodynamic parameters (e.g., the surface skin temperature, atmospheric temperature, and moisture) retrieved from satellite infrared (IR) spectral radiance is studied. Simulation analysis demonstrates that surface emissivity plays an important role in retrieval of surface skin temperature and terrestrial boundary layer (TBL) moisture. NAST-I ultraspectral data collected during the CLAMS field campaign are used to retrieve thermodynamic properties of the atmosphere and surface. The retrievals are then validated by coincident in-situ measurements, such as sea surface temperature, radiosonde temperature and moisture profiles. Retrieved surface emissivity is also validated by that computed from the observed radiance and calculated emissions based on the retrievals of surface temperature and atmospheric profiles. In addition, retrieved surface skin temperature and emissivity are validated together by radiance comparison between the observation and retrieval-based calculation in the window region where atmospheric contribution is minimized. Both simulation and validation results have lead to the conclusion that variable surface emissivity in the inversion process is needed to obtain accurate retrievals from satellite IR spectral radiance measurements. Retrieval examples are presented to reveal that surface emissivity plays a significant role in retrieving accurate surface skin temperature and TBL thermodynamic parameters.

A look at ligand binding thermodynamics in drug discovery.

PubMed

Claveria-Gimeno, Rafael; Vega, Sonia; Abian, Olga; Velazquez-Campoy, Adrian

2017-04-01

Drug discovery is a challenging endeavor requiring the interplay of many different research areas. Gathering information on ligand binding thermodynamics may help considerably in reducing the risk within a high uncertainty scenario, allowing early rejection of flawed compounds and pushing forward optimal candidates. In particular, the free energy, the enthalpy, and the entropy of binding provide fundamental information on the intermolecular forces driving such interaction. Areas covered: The authors review the current status and recent developments in the application of ligand binding thermodynamics in drug discovery. The thermodynamic binding profile (Gibbs energy, enthalpy, and entropy of binding) can be used for lead selection and optimization (binding enthalpy, selectivity, and adaptability). Expert opinion: Binding thermodynamics provides fundamental information on the forces driving the formation of the drug-target complex. It has been widely accepted that binding thermodynamics may be used as a decision criterion along the ligand optimization process in drug discovery and development. In particular, the binding enthalpy may be used as a guide when selecting and optimizing compounds over a set of potential candidates. However, this has been recently called into question by arguing certain difficulties and in the light of certain experimental examples.

Heat Exchange with Air and Temperature Profile of a Moving Oversize Tire

NASA Astrophysics Data System (ADS)

Grinchuk, P. S.; Fisenko, S. P.

2016-11-01

A one-dimensional mathematical model of heat transfer in a tire with account for the deformation energy dissipation and heat exchange of a moving tire with air has been developed. The mean temperature profiles are calculated and transition to a stationary thermal regime is considered. The influence of the rate of energy dissipation and of effective thermal conductivity of rubber on the temperature field is investigated quantitatively.

Thermodynamics and kinetics of the sulfation of porous calcium silicate

NASA Technical Reports Server (NTRS)

Miller, R. A.; Kohl, F. J.

1981-01-01

The sulfation of plasma sprayed calcium silicate in flowing SO2/air mixtures at 900 and 1000 C was investigated thermogravimetrically. Reaction products were analyzed using electron microprobe and X-ray diffraction analysis techniques, and results were compared with thermodynamic predictions. The percentage, by volume, of SO2 in air was varied between 0.036 and 10 percent. At 10 percent SO2 the weight gain curve displays a concave downward shoulder early in the sulfation process. An analytical model was developed which treats the initial process as one which decays exponentially with increasing time and the subsequent process as one which decays exponentially with increasing weight gain. At lower SO2 levels the initial rate is controlled by the reactant flow rate. At 1100 C and 0.036 percent SO2 there is no reaction, in agreement with thermodynamic predictions.

An Experimental Investigation Into the Temperature Profile of a Compliant Foil Air Bearing

NASA Technical Reports Server (NTRS)

Radil, Kevin; Zeszotek, Michelle

2004-01-01

A series of tests was performed to determine the internal temperature profile in a compliant bump-type foil journal air bearing operating at room temperature under various speeds and load conditions. The temperature profile was collected by instrumenting a foil bearing with nine, type K thermocouples arranged in the center and along the bearing s edges in order to measure local temperatures and estimate thermal gradients in the axial and circumferential directions. To facilitate the measurement of maximum temperatures from viscous shearing in the air film, the thermocouples were tack welded to the backside of the bumps that were in direct contact with the top foil. The mating journal was coated with a high temperature solid lubricant that, together with the bearing, underwent high temperature start-stop cycles to produce a smooth, steady-state run-in surface. Tests were conducted at speeds from 20 to 50 krpm and loads ranging from 9 to 222 N. The results indicate that, over the conditions tested, both journal rotational speed and radial load are responsible for heat generation with speed playing a more significant role in the magnitude of the temperatures. The temperature distribution was nearly symmetric about the bearing center at 20 and 30 krpm but became slightly skewed toward one side at 40 and 50 krpm. Surprisingly, the maximum temperatures did not occur at the bearing edge where the minimum film thickness is expected but rather in the middle of the bearing where analytical investigations have predicted the air film to be much thicker. Thermal gradients were common during testing and were strongest in the axial direction from the middle of the bearing to its edges, reaching 3.78 8C/mm. The temperature profile indicated the circumferential thermal gradients were negligible.

Temperature and Humidity Profiles in the TqJoint Data Group of AIRS Version 6 Product for the Climate Model Evaluation

NASA Technical Reports Server (NTRS)

Ding, Feng; Fang, Fan; Hearty, Thomas J.; Theobald, Michael; Vollmer, Bruce; Lynnes, Christopher

2014-01-01

The Atmospheric Infrared Sounder (AIRS) mission is entering its 13th year of global observations of the atmospheric state, including temperature and humidity profiles, outgoing long-wave radiation, cloud properties, and trace gases. Thus AIRS data have been widely used, among other things, for short-term climate research and observational component for model evaluation. One instance is the fifth phase of the Coupled Model Intercomparison Project (CMIP5) which uses AIRS version 5 data in the climate model evaluation. The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) is the home of processing, archiving, and distribution services for data from the AIRS mission. The GES DISC, in collaboration with the AIRS Project, released data from the version 6 algorithm in early 2013. The new algorithm represents a significant improvement over previous versions in terms of greater stability, yield, and quality of products. The ongoing Earth System Grid for next generation climate model research project, a collaborative effort of GES DISC and NASA JPL, will bring temperature and humidity profiles from AIRS version 6. The AIRS version 6 product adds a new "TqJoint" data group, which contains data for a common set of observations across water vapor and temperature at all atmospheric levels and is suitable for climate process studies. How different may the monthly temperature and humidity profiles in "TqJoint" group be from the "Standard" group where temperature and water vapor are not always valid at the same time? This study aims to answer the question by comprehensively comparing the temperature and humidity profiles from the "TqJoint" group and the "Standard" group. The comparison includes mean differences at different levels globally and over land and ocean. We are also working on examining the sampling differences between the "TqJoint" and "Standard" group using MERRA data.

Thermodynamics-Based Metabolic Flux Analysis

PubMed Central

Henry, Christopher S.; Broadbelt, Linda J.; Hatzimanikatis, Vassily

2007-01-01

A new form of metabolic flux analysis (MFA) called thermodynamics-based metabolic flux analysis (TMFA) is introduced with the capability of generating thermodynamically feasible flux and metabolite activity profiles on a genome scale. TMFA involves the use of a set of linear thermodynamic constraints in addition to the mass balance constraints typically used in MFA. TMFA produces flux distributions that do not contain any thermodynamically infeasible reactions or pathways, and it provides information about the free energy change of reactions and the range of metabolite activities in addition to reaction fluxes. TMFA is applied to study the thermodynamically feasible ranges for the fluxes and the Gibbs free energy change, ΔrG′, of the reactions and the activities of the metabolites in the genome-scale metabolic model of Escherichia coli developed by Palsson and co-workers. In the TMFA of the genome scale model, the metabolite activities and reaction ΔrG′ are able to achieve a wide range of values at optimal growth. The reaction dihydroorotase is identified as a possible thermodynamic bottleneck in E. coli metabolism with a ΔrG′ constrained close to zero while numerous reactions are identified throughout metabolism for which ΔrG′ is always highly negative regardless of metabolite concentrations. As it has been proposed previously, these reactions with exclusively negative ΔrG′ might be candidates for cell regulation, and we find that a significant number of these reactions appear to be the first steps in the linear portion of numerous biosynthesis pathways. The thermodynamically feasible ranges for the concentration ratios ATP/ADP, NAD(P)/NAD(P)H, and \\documentclass[10pt]{article} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{pmc} \\pagestyle{empty} \\oddsidemargin -1.0in \\begin{document} \\begin

Thermodynamic Solubility Profile of Carbamazepine-Cinnamic Acid Cocrystal at Different pH.

PubMed

Keramatnia, Fatemeh; Shayanfar, Ali; Jouyban, Abolghasem

2015-08-01

Pharmaceutical cocrystal formation is a direct way to dramatically influence physicochemical properties of drug substances, especially their solubility and dissolution rate. Because of their instability in the solution, thermodynamic solubility of cocrystals could not be determined in the common way like other compounds; therefore, the thermodynamic solubility is calculated through concentration of their components in the eutectic point. The objective of this study is to investigate the effect of an ionizable coformer in cocrystal with a nonionizable drug at different pH. Carbamazepine (CBZ), a nonionizable drug with cinnamic acid (CIN), which is an acidic coformer, was selected to prepare CBZ-CIN cocrystal and its thermodynamic solubility was studied in pH range 2-7. Instead of HPLC that is a costly and time-consuming method, a chemometric-based approach, net analyte signal standard addition method, was selected for simultaneous determination of CBZ and CIN in solution. The result showed that, as pH increases, CIN ionization leads to change in CBZ-CIN cocrystal solubility and stability in solution. In addition, the results of this study indicated that there is no significant difference between intrinsic solubility of CBZ and cocrystal despite the higher ideal solubility of cocrystal. This verifies that ideal solubility is not good parameter to predict cocrystal solubility. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

Development and evaluation of a profile negotiation process for integrating aircraft and air traffic control automation

NASA Technical Reports Server (NTRS)

Green, Steven M.; Denbraven, Wim; Williams, David H.

1993-01-01

The development and evaluation of the profile negotiation process (PNP), an interactive process between an aircraft and air traffic control (ATC) that integrates airborne and ground-based automation capabilities to determine conflict-free trajectories that are as close to an aircraft's preference as possible, are described. The PNP was evaluated in a real-time simulation experiment conducted jointly by NASA's Ames and Langley Research Centers. The Ames Center/TRACON Automation System (CTAS) was used to support the ATC environment, and the Langley Transport Systems Research Vehicle (TSRV) piloted cab was used to simulate a 4D Flight Management System (FMS) capable aircraft. Both systems were connected in real time by way of voice and data lines; digital datalink communications capability was developed and evaluated as a means of supporting the air/ground exchange of trajectory data. The controllers were able to consistently and effectively negotiate nominally conflict-free vertical profiles with the 4D-equipped aircraft. The actual profiles flown were substantially closer to the aircraft's preference than would have been possible without the PNP. However, there was a strong consensus among the pilots and controllers that the level of automation of the PNP should be increased to make the process more transparent. The experiment demonstrated the importance of an aircraft's ability to accurately execute a negotiated profile as well as the need for digital datalink to support advanced air/ground data communications. The concept of trajectory space is proposed as a comprehensive approach for coupling the processes of trajectory planning and tracking to allow maximum pilot discretion in meeting ATC constraints.

Velocity and temperature profiles in near-critical nitrogen flowing past a horizontal flat plate

NASA Technical Reports Server (NTRS)

Simoneau, R. J.

1977-01-01

Boundary layer velocity and temperature profiles were measured for nitrogen near its thermodynamic critical point flowing past a horizontal flat plate. The results were compared measurements made for vertically upward flow. The boundary layer temperatures ranged from below to above the thermodynamic critical temperature. For wall temperatures below the thermodynamic critical temperature there was little variation between the velocity and temperature profiles in three orientations. In all three orientations the point of crossing into the critical temperature region is marked by a significant flattening of the velocity and temperature profiles and also a decrease in heat transfer coefficient.

Thermodynamic States in Explosion Fields

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

Kuhl, A L

2010-03-12

We investigate the thermodynamic states occurring in explosion fields from condensed explosive charges. These states are often modeled with a Jones-Wilkins-Lee (JWL) function. However, the JWL function is not a Fundamental Equation of Thermodynamics, and therefore cannot give a complete specification of such states. We use the Cheetah code of Fried to study the loci of states of the expanded detonation products gases from C-4 charges, and their combustion products air. In the Le Chatelier Plane of specific-internal-energy versus temperature, these loci are fit with a Quadratic Model function u(T), which has been shown to be valid for T thermodynamic functions, such as temperature: T(v,s), pressure: p(v,s), enthalpy: h(v,s), Gibbs free energy: g(v,s) and Helmholz free energy: f(v,s); these loci are displayed in figures for C-4. Such complete equations of state are needed for numerical simulations of blast waves from explosive charges, and their reflections from surfaces.« less

Thermodynamic Diagrams

NASA Astrophysics Data System (ADS)

Chaston, Scot

1999-02-01

Thermodynamic data such as equilibrium constants, standard cell potentials, molar enthalpies of formation, and standard entropies of substances can be a very useful basis for an organized presentation of knowledge in diverse areas of applied chemistry. Thermodynamic data can become particularly useful when incorporated into thermodynamic diagrams that are designed to be easy to recall, to serve as a basis for reconstructing previous knowledge, and to determine whether reactions can occur exergonically or only with the help of an external energy source. Few students in our chemistry-based courses would want to acquire the depth of knowledge or rigor of professional thermodynamicists. But they should nevertheless learn how to make good use of thermodynamic data in their professional occupations that span the chemical, biological, environmental, and medical laboratory fields. This article discusses examples of three thermodynamic diagrams that have been developed for this purpose. They are the thermodynamic energy account (TEA), the total entropy scale, and the thermodynamic scale diagrams. These diagrams help in the teaching and learning of thermodynamics by bringing the imagination into the process of developing a better understanding of abstract thermodynamic functions, and by allowing the reader to keep track of specialist thermodynamic discourses in the literature.

Thermodynamic limits to the efficiency of solar energy conversion by quantum devices

NASA Technical Reports Server (NTRS)

Buoncristiani, A. M.; Byvik, C. E.; Smith, B. T.

1981-01-01

The second law of thermodynamics imposes a strict limitation to the energy converted from direct solar radiation to useful work by a quantum device. This limitation requires that the amount of energy converted to useful work (energy in any form other than heat) can be no greater than the change in free energy of the radiation fields. Futhermore, in any real energy conversion device, not all of this available free energy in the radiation field can be converted to work because of basic limitations inherent in the device itself. A thermodynamic analysis of solar energy conversion by a completely general prototypical quantum device is presented. This device is completely described by two parameters, its operating temperature T sub R and the energy threshold of its absorption spectrum. An expression for the maximum thermodynamic efficiency of a quantum solar converter was derived in terms of these two parameters and the incident radiation spectrum. Efficiency curves for assumed solar spectral irradiance corresponding to air mass zero and air mass 1.5 are presented.

Latent Heating Retrieval from TRMM Observations Using a Simplified Thermodynamic Model

NASA Technical Reports Server (NTRS)

Grecu, Mircea; Olson, William S.

2003-01-01

A procedure for the retrieval of hydrometeor latent heating from TRMM active and passive observations is presented. The procedure is based on current methods for estimating multiple-species hydrometeor profiles from TRMM observations. The species include: cloud water, cloud ice, rain, and graupel (or snow). A three-dimensional wind field is prescribed based on the retrieved hydrometeor profiles, and, assuming a steady-state, the sources and sinks in the hydrometeor conservation equations are determined. Then, the momentum and thermodynamic equations, in which the heating and cooling are derived from the hydrometeor sources and sinks, are integrated one step forward in time. The hydrometeor sources and sinks are reevaluated based on the new wind field, and the momentum and thermodynamic equations are integrated one more step. The reevalution-integration process is repeated until a steady state is reached. The procedure is tested using cloud model simulations. Cloud-model derived fields are used to synthesize TRMM observations, from which hydrometeor profiles are derived. The procedure is applied to the retrieved hydrometeor profiles, and the latent heating estimates are compared to the actual latent heating produced by the cloud model. Examples of procedure's applications to real TRMM data are also provided.

Bias Correction for Assimilation of Retrieved AIRS Profiles of Temperature and Humidity

NASA Technical Reports Server (NTRS)

Blankenship, Clay; Zavodsky, Brad; Blackwell, William

2014-01-01

Atmospheric Infrared Sounder (AIRS) is a hyperspectral radiometer aboard NASA's Aqua satellite designed to measure atmospheric profiles of temperature and humidity. AIRS retrievals are assimilated into the Weather Research and Forecasting (WRF) model over the North Pacific for some cases involving "atmospheric rivers". These events bring a large flux of water vapor to the west coast of North America and often lead to extreme precipitation in the coastal mountain ranges. An advantage of assimilating retrievals rather than radiances is that information in partly cloudy fields of view can be used. Two different Level 2 AIRS retrieval products are compared: the Version 6 AIRS Science Team standard retrievals and a neural net retrieval from MIT. Before assimilation, a bias correction is applied to adjust each layer of retrieved temperature and humidity so the layer mean values agree with a short-term model climatology. WRF runs assimilating each of the products are compared against each other and against a control run with no assimilation. This paper will describe the bias correction technique and results from forecasts evaluated by validation against a Total Precipitable Water (TPW) product from CIRA and against Global Forecast System (GFS) analyses.

Analysis and simulation of the I C engine Otto cycle using the second law of thermodynamics

NASA Astrophysics Data System (ADS)

Abdel-Rahim, Y. M.

The present investigation is an application of the second law of thermodynamics to the spark ignition engine cycle. A comprehensive thermodynamic analysis of the air standard cycle is conducted using the first and second laws of thermodynamics, the ideal gas equation of state and the perfect gas properties for air. The study investigates the effect of the cycle parameters on the cycle performance reflected by the first and second law efficiencies, the heat added, the work done, the available energy added as well as the history of the internal, available and unavailable energies along the cycle. The study shows that the second law efficiency is a function of the compression ratio, the initial temperature, the maximum temperature as well as the dead state temperature. A non-dimensional comprehensive thermodynamic simulation model for the actual Otto cycle is developed to study the effects of the design and operating parameters of the cycle on the cycle performance. The analysis takes into account engine geometry, mixture strength, heat transfer, piston motion, engine speed, mechanical friction, spark advance and combustion duration.

Is thermodynamic irreversibility a consequence of the expansion of the Universe?

NASA Astrophysics Data System (ADS)

Osváth, Szabolcs

2018-02-01

This paper explains thermodynamic irreversibility by applying the expansion of the Universe to thermodynamic systems. The effect of metric expansion is immeasurably small on shorter scales than intergalactic distances. Multi-particle systems, however, are chaotic, and amplify any small disturbance exponentially. Metric expansion gives rise to time-asymmetric behaviour in thermodynamic systems in a short time (few nanoseconds in air, few ten picoseconds in water). In contrast to existing publications, this paper explains without any additional assumptions the rise of thermodynamic irreversibility from the underlying reversible mechanics of particles. Calculations for the special case which assumes FLRW metric, slow motions (v ≪ c) and approximates space locally by Euclidean space show that metric expansion causes entropy increase in isolated systems. The rise of time-asymmetry, however, is not affected by these assumptions. Any influence of the expansion of the Universe on the local metric causes a coupling between local mechanics and evolution of the Universe.

Black Hole Thermodynamics in an Undergraduate Thermodynamics Course.

ERIC Educational Resources Information Center

Parker, Barry R.; McLeod, Robert J.

1980-01-01

An analogy, which has been drawn between black hole physics and thermodynamics, is mathematically broadened in this article. Equations similar to the standard partial differential relations of thermodynamics are found for black holes. The results can be used to supplement an undergraduate thermodynamics course. (Author/SK)

A measurement of the average longitudinal development profile of cosmic ray air showers between 10 17 and 10 18 eV

NASA Astrophysics Data System (ADS)

Abu-Zayyad, T.; Belov, K.; Bird, D. J.; Boyer, J.; Cao, Z.; Catanese, M.; Chen, G. F.; Clay, R. W.; Covault, C. E.; Dai, H. Y.; Dawson, B. R.; Elbert, J. W.; Fick, B. E.; Fortson, L. F.; Fowler, J. W.; Gibbs, K. G.; Glasmacher, M. A. K.; Green, K. D.; Ho, Y.; Huang, A.; Jui, C. C.; Kidd, M. J.; Kieda, D. B.; Knapp, B. C.; Ko, S.; Larsen, C. G.; Lee, W.; Loh, E. C.; Mannel, E. J.; Matthews, J.; Matthews, J. N.; Newport, B. J.; Nitz, D. F.; Ong, R. A.; Simpson, K. M.; Smith, J. D.; Sinclair, D.; Sokolsky, P.; Song, C.; Tang, J. K. K.; Thomas, S. B.; van der Velde, J. C.; Wiencke, L. R.; Wilkinson, C. R.; Yoshida, S.; Zhang, X. Z.

2001-10-01

The average extensive air shower longitudinal development profile is measured. Events between 10 17 and 10 18 eV recorded by the HiRes/MIA hybrid experiment are used for the average profile. Several functional forms are examined using this average profile. The best-fit parameters for the above functions are determined.

A novel method to construct an air quality index based on air pollution profiles.

PubMed

Thach, Thuan-Quoc; Tsang, Hilda; Cao, Peihua; Ho, Lai-Ming

2018-01-01

�WHO AQG to characterize the typical pollution profiles over the study period, which resulted in the optimal power=3.0. The distribution of days in different pollution bands of the index was: 5.8% for "Low" (0-50), 37.6% for "Moderate" (51-100), 31.1% for "High" (101-150), 14.7% for "Very High" (151-200), and 10.8% for "Serious" (201+). For cardiovascular and respiratory admissions, there were significant associations with the pollution bands of the index for all ages and those 65 years or older. The trends of increasing pollution bands in relation to increasing excess risks of cardiovascular and respiratory admissions were significant for the proposed index, the China AQI, the UK DAQI and the USEPA AQI (P value for test for linear trend < 0.0001), suggesting a dose-response relation. We have developed a simple and concise method to construct an air quality index that accounts for multiple pollutants to quantify air quality conditions for Hong Kong. Further developments are needed in order to support the extension of the method to other settings. Copyright © 2017 Elsevier GmbH. All rights reserved.

A review of reaction rates and thermodynamic and transport properties for an 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K

NASA Technical Reports Server (NTRS)

Gupta, Roop N.; Yos, Jerrold M.; Thompson, Richard A.; Lee, Kam-Pui

1990-01-01

Reaction rate coefficients and thermodynamic and transport properties are reviewed and supplemented for the 11-species air model which can be used for analyzing flows in chemical and thermal nonequilibrium up to temperatures of 3000 K. Such flows will likely occur around currently planned and future hypersonic vehicles. Guidelines for determining the state of the surrounding environment are provided. Curve fits are given for the various species properties for their efficient computation in flowfield codes. Approximate and more exact formulas are provided for computing the properties of partially ionized air mixtures in a high energy environment. Limitations of the approximate mixing laws are discussed for a mixture of ionized species. An electron number-density correction for the transport properties of the charged species is obtained. This correction has been generally ignored in the literature.

Multi-Group Reductions of LTE Air Plasma Radiative Transfer in Cylindrical Geometries

NASA Technical Reports Server (NTRS)

Scoggins, James; Magin, Thierry Edouard Bertran; Wray, Alan; Mansour, Nagi N.

2013-01-01

Air plasma radiation in Local Thermodynamic Equilibrium (LTE) within cylindrical geometries is studied with an application towards modeling the radiative transfer inside arc-constrictors, a central component of constricted-arc arc jets. A detailed database of spectral absorption coefficients for LTE air is formulated using the NEQAIR code developed at NASA Ames Research Center. The database stores calculated absorption coefficients for 1,051,755 wavelengths between 0.04 µm and 200 µm over a wide temperature (500K to 15 000K) and pressure (0.1 atm to 10.0 atm) range. The multi-group method for spectral reduction is studied by generating a range of reductions including pure binning and banding reductions from the detailed absorption coefficient database. The accuracy of each reduction is compared to line-by-line calculations for cylindrical temperature profiles resembling typical profiles found in arc-constrictors. It is found that a reduction of only 1000 groups is sufficient to accurately model the LTE air radiation over a large temperature and pressure range. In addition to the reduction comparison, the cylindrical-slab formulation is compared with the finite-volume method for the numerical integration of the radiative flux inside cylinders with varying length. It is determined that cylindrical-slabs can be used to accurately model most arc-constrictors due to their high length to radius ratios.

Unimpeded air velocity profiles of air-assisted five-port sprayer

USDA-ARS?s Scientific Manuscript database

A capability that relies on tree structure information to control liquid and air flow rates is the preferential design in the development of variable-rate orchard and nursery sprayers. Unimpeded air jet velocities from an air assisted, five-port sprayer in an open field were measured at four height...

Removing the Mystery of Entropy and Thermodynamics--Part I

ERIC Educational Resources Information Center

Left, Harvey S.

2012-01-01

Energy and entropy are centerpieces of physics. Energy is typically introduced in the study of classical mechanics. Although energy in this context can be challenging, its use in thermodynamics and its connection with entropy seem to take on a special air of mystery. In this five-part series, I pinpoint ways around key areas of difficulty to…

Protonation linked equilibria and apparent affinity constants: the thermodynamic profile of the alpha-chymotrypsin-proflavin interaction.

PubMed

Bruylants, Gilles; Wintjens, René; Looze, Yvan; Redfield, Christina; Bartik, Kristin

2007-12-01

Protonation/deprotonation equilibria are frequently linked to binding processes involving proteins. The presence of these thermodynamically linked equilibria affects the observable thermodynamic parameters of the interaction (K(obs), DeltaH(obs)(0) ). In order to try and elucidate the energetic factors that govern these binding processes, a complete thermodynamic characterisation of each intrinsic equilibrium linked to the complexation event is needed and should furthermore be correlated to structural information. We present here a detailed study, using NMR and ITC, of the interaction between alpha-chymotrypsin and one of its competitive inhibitors, proflavin. By performing proflavin titrations of the enzyme, at different pH values, we were able to highlight by NMR the effect of the complexation of the inhibitor on the ionisable residues of the catalytic triad of the enzyme. Using ITC we determined the intrinsic thermodynamic parameters of the different equilibria linked to the binding process. The possible driving forces of the interaction between alpha-chymotrypsin and proflavin are discussed in the light of the experimental data and on the basis of a model of the complex. This study emphasises the complementarities between ITC and NMR for the study of binding processes involving protonation/deprotonation equilibria.

Microwave Radiometer and Lidar Synergy for High Vertical Resolution Thermodynamic Profiling in a Cloudy Scenario

NASA Astrophysics Data System (ADS)

Barrera Verdejo, M.; Crewell, S.; Loehnert, U.; Di Girolamo, P.

2016-12-01

Continuous monitoring of thermodynamic atmospheric profiles is important for many applications, e.g. assessment of atmospheric stability and cloud formation. Nowadays there is a wide variety of ground-based sensors for atmospheric profiling. However, no single instrument is able to simultaneously provide measurements with complete vertical coverage, high vertical and temporal resolution, and good performance under all weather conditions. For this reason, instrument synergies of a wide range of complementary measurements are more and more considered for improving the quality of atmospheric observations. The current work presents synergetic use of a microwave radiometer (MWR) and Raman lidar (RL) within a physically consistent optimal estimation approach. On the one hand, lidar measurements provide humidity and temperature measurements with a high vertical resolution albeit with limited vertical coverage, due to overlapping function problems, sunlight contamination and the presence of clouds. On the other hand, MWRs obtain humidity, temperature and cloud information throughout the troposphere, with however only a very limited vertical resolution. The benefits of MWR+RL synergy have been previously demonstrated for clear sky cases. This work expands this approach to cloudy scenarios. Consistent retrievals of temperature, absolute and relative humidity as well as liquid water path are analyzed. In addition, different measures are presented to demonstrate the improvements achieved via the synergy compared to individual retrievals, e.g. degrees of freedom or theoretical error. We also demonstrate that, compared to the lidar, the higher temporal resolution of the MWR presents a strong advantage for capturing the high temporal variability of the liquid water cloud.. Finally, the results are compared with independent information sources, e.g. GPS or radiosondes, showing good consistency. The study demonstrates the benefits of the sensor combination, being especially strong

Numerical Mantle Convection Models With a Flexible Thermodynamic Interface

NASA Astrophysics Data System (ADS)

van den Berg, A. P.; Jacobs, M. H.; de Jong, B. H.

2001-12-01

Accurate material properties are needed for deep mantle (P,T) conditions in order to predict the longterm behavior of convection planetary mantles. Also the interpretation of seismological observations concerning the deep mantle in terms of mantle flow models calls for a consistent thermodynamical description of the basic physical parameters. We have interfaced a compressible convection code using the anelastic liquid approach based on finite element methods, to a database containing a full thermodynamic description of mantle silicates (Ita and King, J. Geophys. Res., 99, 15,939-15,940, 1994). The model is based on high resolution (P,T) tables of the relevant thermodynamic properties containing typically 50 million (P,T) table gridpoints to obtain resolution in (P,T) space of 1 K and an equivalent of 1 km. The resulting model is completely flexible such that numerical mantle convection experiments can be performed for any mantle composition for which the thermodynamic database is available. We present results of experiments for 2D cartesian models using a data base for magnesium-iron silicate in a pyrolitic composition (Stixrude and Bukowinski, Geoph.Monogr.Ser., 74, 131-142, 1993) and a recent thermodynamical model for magnesium silicate for the complete mantle (P,T) range, (Jacobs and Oonk, Phys. Chem. Mineral, 269, inpress 2001). Preliminary results of bulksound velocity distribution derived in a consistent way from the convection results and the thermodynamic database show a `realistic' mantle profile with bulkvelocity variations decreasing from several percent in the upper mantle to less than a percent in the deep lower mantle.

Thermodynamic performance analysis of ramjet engine at wide working conditions

NASA Astrophysics Data System (ADS)

Ou, Min; Yan, Li; Tang, Jing-feng; Huang, Wei; Chen, Xiao-qian

2017-03-01

Although ramjet has the advantages of high-speed flying and higher specific impulse, the performance parameters will decline seriously with the increase of flight Mach number and flight height. Therefore, the investigation on the thermodynamic performance of ramjet is very crucial for broadening the working range. In the current study, a typical ramjet model has been employed to investigate the performance characteristics at wide working conditions. First of all, the compression characteristic analysis is carried out based on the Brayton cycle. The obtained results show that the specific cross-section area (A2 and A5) and the air-fuel ratio (f) have a great influence on the ramjet performance indexes. Secondly, the thermodynamic calculation process of ramjet is given from the view of the pneumatic thermal analysis. Then, the variable trends of the ramjet performance indexes with the flow conditions, the air-fuel ratio (f), the specific cross-sectional area (A2 and A5) under the fixed operating condition, equipotential dynamic pressure condition and variable dynamic pressure condition have been discussed. Finally, the optimum value of the specific cross-sectional area (A5) and the air-fuel ratio (f) of the ramjet model at a fixed work condition (Ma=3.5, H=12 km) are obtained.

Real-time monitoring of thermodynamic microenvironment in a pan coater.

PubMed

Pandey, Preetanshu; Bindra, Dilbir S

2013-02-01

The current study demonstrates the use of tablet-size data logging devices (PyroButtons) to quantify the microenvironment experienced by tablets during pan coating process. PyroButtons were fixed at the inlet and exhaust plenums, and were also placed to freely move with the tablets. The effects of process parameters (spray rate and inlet-air humidity) on the thermodynamic conditions inside the pan coater were studied. It was shown that the same exhaust temperature (a parameter most commonly monitored and controlled during film coating) can be attained with very different tablet-bed conditions. The tablet-bed conditions were found to be more sensitive to the changes in spray rate as compared with the inlet-air humidity. Both spray rate and inlet-air humidity were shown to have an effect on the number of tablet defects (loss of logo definition), and a good correlation between number of tablet defects and tablet-bed humidity was observed. The ability to quantify the thermodynamic microenvironment experienced by the tablets during coating and be able to correlate that to macroscopic tablet defects can be an invaluable tool that can help to establish a process design space during product development. Copyright © 2012 Wiley Periodicals, Inc.

Comparison of Air Fluorescence and Ionization Measurements of E.M. Shower Depth Profiles: Test of a UHECR Detector Technique

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

Belz, J.; Cao, Z.; Huentemeyer, P.

Measurements are reported on the fluorescence of air as a function of depth in electromagnetic showers initiated by bunches of 28.5 GeV electrons. The light yield is compared with the expected and observed depth profiles of ionization in the showers. It validates the use of atmospheric fluorescence profiles in measuring ultra high energy cosmic rays.

Asthmatics Exhibit Altered Oxylipin Profiles Compared to Healthy Individuals after Subway Air Exposure

PubMed Central

Nording, Malin; Klepczynska-Nyström, Anna; Sköld, Magnus; Haeggström, Jesper Z.; Grunewald, Johan; Svartengren, Magnus; Hammock, Bruce D.; Larsson, Britt-Marie; Eklund, Anders; Wheelock, Åsa M.; Wheelock, Craig E.

2011-01-01

Background Asthma is a chronic inflammatory lung disease that causes significant morbidity and mortality worldwide. Air pollutants such as particulate matter (PM) and oxidants are important factors in causing exacerbations in asthmatics, and the source and composition of pollutants greatly affects pathological implications. Objectives This randomized crossover study investigated responses of the respiratory system to Stockholm subway air in asthmatics and healthy individuals. Eicosanoids and other oxylipins were quantified in the distal lung to provide a measure of shifts in lipid mediators in association with exposure to subway air relative to ambient air. Methods Sixty-four oxylipins representing the cyclooxygenase (COX), lipoxygenase (LOX) and cytochrome P450 (CYP) metabolic pathways were screened using liquid chromatography-tandem mass spectrometry (LC-MS/MS) of bronchoalveolar lavage (BAL)-fluid. Validations through immunocytochemistry staining of BAL-cells were performed for 15-LOX-1, COX-1, COX-2 and peroxisome proliferator-activated receptor gamma (PPARγ). Multivariate statistics were employed to interrogate acquired oxylipin and immunocytochemistry data in combination with patient clinical information. Results Asthmatics and healthy individuals exhibited divergent oxylipin profiles following exposure to ambient and subway air. Significant changes were observed in 8 metabolites of linoleic- and α-linolenic acid synthesized via the 15-LOX pathway, and of the COX product prostaglandin E2 (PGE2). Oxylipin levels were increased in healthy individuals following exposure to subway air, whereas asthmatics evidenced decreases or no change. Conclusions Several of the altered oxylipins have known or suspected bronchoprotective or anti-inflammatory effects, suggesting a possible reduced anti-inflammatory response in asthmatics following exposure to subway air. These observations may have ramifications for sensitive subpopulations in urban areas. PMID:21897859

Asthmatics exhibit altered oxylipin profiles compared to healthy individuals after subway air exposure.

PubMed

Lundström, Susanna L; Levänen, Bettina; Nording, Malin; Klepczynska-Nyström, Anna; Sköld, Magnus; Haeggström, Jesper Z; Grunewald, Johan; Svartengren, Magnus; Hammock, Bruce D; Larsson, Britt-Marie; Eklund, Anders; Wheelock, Åsa M; Wheelock, Craig E

2011-01-01

Asthma is a chronic inflammatory lung disease that causes significant morbidity and mortality worldwide. Air pollutants such as particulate matter (PM) and oxidants are important factors in causing exacerbations in asthmatics, and the source and composition of pollutants greatly affects pathological implications. This randomized crossover study investigated responses of the respiratory system to Stockholm subway air in asthmatics and healthy individuals. Eicosanoids and other oxylipins were quantified in the distal lung to provide a measure of shifts in lipid mediators in association with exposure to subway air relative to ambient air. Sixty-four oxylipins representing the cyclooxygenase (COX), lipoxygenase (LOX) and cytochrome P450 (CYP) metabolic pathways were screened using liquid chromatography-tandem mass spectrometry (LC-MS/MS) of bronchoalveolar lavage (BAL)-fluid. Validations through immunocytochemistry staining of BAL-cells were performed for 15-LOX-1, COX-1, COX-2 and peroxisome proliferator-activated receptor gamma (PPARγ). Multivariate statistics were employed to interrogate acquired oxylipin and immunocytochemistry data in combination with patient clinical information. Asthmatics and healthy individuals exhibited divergent oxylipin profiles following exposure to ambient and subway air. Significant changes were observed in 8 metabolites of linoleic- and α-linolenic acid synthesized via the 15-LOX pathway, and of the COX product prostaglandin E(2) (PGE(2)). Oxylipin levels were increased in healthy individuals following exposure to subway air, whereas asthmatics evidenced decreases or no change. Several of the altered oxylipins have known or suspected bronchoprotective or anti-inflammatory effects, suggesting a possible reduced anti-inflammatory response in asthmatics following exposure to subway air. These observations may have ramifications for sensitive subpopulations in urban areas.

Stochastic thermodynamics

NASA Astrophysics Data System (ADS)

Eichhorn, Ralf; Aurell, Erik

2014-04-01

'Stochastic thermodynamics as a conceptual framework combines the stochastic energetics approach introduced a decade ago by Sekimoto [1] with the idea that entropy can consistently be assigned to a single fluctuating trajectory [2]'. This quote, taken from Udo Seifert's [3] 2008 review, nicely summarizes the basic ideas behind stochastic thermodynamics: for small systems, driven by external forces and in contact with a heat bath at a well-defined temperature, stochastic energetics [4] defines the exchanged work and heat along a single fluctuating trajectory and connects them to changes in the internal (system) energy by an energy balance analogous to the first law of thermodynamics. Additionally, providing a consistent definition of trajectory-wise entropy production gives rise to second-law-like relations and forms the basis for a 'stochastic thermodynamics' along individual fluctuating trajectories. In order to construct meaningful concepts of work, heat and entropy production for single trajectories, their definitions are based on the stochastic equations of motion modeling the physical system of interest. Because of this, they are valid even for systems that are prevented from equilibrating with the thermal environment by external driving forces (or other sources of non-equilibrium). In that way, the central notions of equilibrium thermodynamics, such as heat, work and entropy, are consistently extended to the non-equilibrium realm. In the (non-equilibrium) ensemble, the trajectory-wise quantities acquire distributions. General statements derived within stochastic thermodynamics typically refer to properties of these distributions, and are valid in the non-equilibrium regime even beyond the linear response. The extension of statistical mechanics and of exact thermodynamic statements to the non-equilibrium realm has been discussed from the early days of statistical mechanics more than 100 years ago. This debate culminated in the development of linear response

Low-latitude variability of ice cloud properties and cloud thermodynamic phase observed by the Atmospheric Infrared Sounder (AIRS)

NASA Astrophysics Data System (ADS)

Kahn, B. H.; Yue, Q.; Davis, S. M.; Fetzer, E. J.; Schreier, M. M.; Tian, B.; Wong, S.

2016-12-01

We will quantify the time and space dependence of ice cloud effective radius (CER), optical thickness (COT), cloud top temperature (CTT), effective cloud fraction (ECF), and cloud thermodynamic phase (ice, liquid, or unknown) with the Version 6 Atmospheric Infrared Sounder (AIRS) satellite observational data set from September 2002 until present. We show that cloud frequency, CTT, COT, and ECF have substantially different responses to ENSO variations. Large-scale changes in ice CER are also observed with a several micron tropics-wide increase during the 2015-2016 El Niño and similar decreases during the La Niña phase. We show that the ice CER variations reflect fundamental changes in the spatial distributions and relative frequencies of different ice cloud types. Lastly, the high spatial and temporal resolution variability of the cloud fields are explored and we show that these data capture a multitude of convectively coupled tropical waves such as Kelvin, westward and eastward intertio-gravity, equatorial Rossby, and mixed Rossby-gravity waves.

Methodology of Thermodynamics

ERIC Educational Resources Information Center

Mohan, Gyan

1969-01-01

Presents a systematization of the mathematical formulae in thermodynamics. From the set of thermodynamic variables, four equations are derived which contain the total mathematical jargon of thermodynamics. (LC)

Revised NEO Personality Inventory profiles of male and female U.S. Air Force pilots.

PubMed

Callister, J D; King, R E; Retzlaff, P D; Marsh, R W

1999-12-01

The study of pilot personality characteristics has a long and controversial history. Personality characteristics seem to be fairly poor predictors of training outcome; however, valid personality assessment is essential to clinical psychological evaluations. Therefore, the personality characteristics of pilots must be studied to ensure valid clinical assessment. This paper describes normative personality characteristics of U.S. Air Force pilots based on the Revised NEO Personality Inventory profiles of 1,301 U.S. Air Force student pilots. Compared with male adult norms, male student pilots had higher levels of extraversion and lower levels of agreeableness. Compared with female adult norms, female student pilots had higher levels of extraversion and openness and lower levels of agreeableness. Descriptive statistics and percentile tables for the five domain scores and 30 facet scores are provided for clinical use, and a case vignette is provided as an example of the clinical utility of these U.S. Air Force norms.

The importance of hydration thermodynamics in fragment-to-lead optimization.

PubMed

Ichihara, Osamu; Shimada, Yuzo; Yoshidome, Daisuke

2014-12-01

Using a computational approach to assess changes in solvation thermodynamics upon ligand binding, we investigated the effects of water molecules on the binding energetics of over 20 fragment hits and their corresponding optimized lead compounds. Binding activity and X-ray crystallographic data of published fragment-to-lead optimization studies from various therapeutically relevant targets were studied. The analysis reveals a distinct difference between the thermodynamic profile of water molecules displaced by fragment hits and those displaced by the corresponding optimized lead compounds. Specifically, fragment hits tend to displace water molecules with notably unfavorable excess entropies-configurationally constrained water molecules-relative to those displaced by the newly added moieties of the lead compound during the course of fragment-to-lead optimization. Herein we describe the details of this analysis with the goal of providing practical guidelines for exploiting thermodynamic signatures of binding site water molecules in the context of fragment-to-lead optimization. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Seasonal Oxygen Supersaturation and Air-Sea Fluxes from Profiling Floats in the Pacific

NASA Astrophysics Data System (ADS)

Bushinsky, S. M.; Emerson, S. R.

2016-02-01

The Pacific Ocean is a heterogeneous basin that includes regions of strong CO2 fluxes to and from the atmosphere. The Kuroshio Extension (KE) is a current associated with the largest CO2 flux into the Pacific Ocean, which extends across the Pacific basin between the subarctic and subtropical regions. The relative importance of the biological and physical processes controlling this sink is uncertain. The stoichiometric relationship between O2 and dissolved inorganic carbon during photosynthesis and respiration may allow in situ O2 measurements to help determine the processes driving this large CO2 flux. In this study, we used Argo profiling floats with modified oxygen sensors to estimate O2 fluxes in several areas of the Pacific. In situ air calibrations of these sensors allowed us to accurately measure air-sea O2 differences, which largely control the flux of O2 to and from the atmosphere. In this way, we determine air-sea O2 fluxes from profiling floats, which previously did not measure O2 accurately enough to make these calculations. To characterize different areas within the KE, we separated O2 measurements from floats into 3 regions based on geographical position and temperature-salinity relationships: North KE, Central KE, and South KE. We then used these regions and floats in the Alaska Gyre and subtropical South Pacific gyre to develop seasonal climatologies of ΔO2 and air-sea flux. Mean annual air-sea oxygen fluxes (positive fluxes represent addition of O2 to the ocean) were calculated for the Alaska Gyre of -0.3 mol m-2 yr-1 (2012-2015), for the northern KE, central KE, and southern KE (2013-2015) of 6.8, 10.5, and 0.5 mol m-2 yr-1, respectively, and for the south subtropical Pacific (2014-2015) of 0.6 mol m-2 yr-1. The air-sea flux due to bubbles was greater than 50% of the total flux for winter months and essential for determining the magnitude and, in some cases, direction of the cumulative mean annual flux. Increases in solubility due to wintertime

ARM - Midlatitude Continental Convective Clouds Experiment (MC3E): Multi-Frequency Profilers, Vertical Air Motion (williams-vertair)

DOE Data Explorer

Williams, Christopher; Jensen, Mike

2012-11-06

This data was collected by the NOAA 449-MHz and 2.8-GHz profilers in support of the Department of Energy (DOE) and NASA sponsored Mid-latitude Continental Convective Cloud Experiment (MC3E). The profiling radars were deployed in Northern Oklahoma at the DOE Atmospheric Radiation Mission (ARM) Southern Great Plans (SGP) Central Facility from 22 April through 6 June 2011. NOAA deployed three instruments: a Parsivel disdrometer, a 2.8-GHz profiler, and a 449-MHz profiler. The parasivel provided surface estimates of the raindrop size distribution and is the reference used to absolutely calibrate the 2.8 GHz profiler. The 2.8-GHz profiler provided unattenuated reflectivity profiles of the precipitation. The 449-MHz profiler provided estimates of the vertical air motion during precipitation from near the surface to just below the freezing level. By using the combination of 2.8-GHz and 449-MHz profiler observations, vertical profiles of raindrop size distributions can be retrieved. The profilers are often reference by their frequency band: the 2.8-GHz profiler operates in the S-band and the 449-MHz profiler operates in the UHF band. The raw observations are available as well as calibrated spectra and moments. This document describes how the instruments were deployed, how the data was collected, and the format of the archived data.

Utility of CrIS/ATMS profiles to diagnose extratropical transition

NASA Astrophysics Data System (ADS)

Berndt, Emily; Folmer, Michael

2018-03-01

Anticipating changes in hurricane intensity can be challenging in data sparse regions of the North Atlantic Ocean. Hyperspectral infrared retrieved profiles have the potential to provide a wealth of information about the vertical structure of thermodynamic characteristics of the atmosphere such as temperature and moisture which can impact hurricane intensity. Increased forecaster situational awareness and identification of moist or dry layers in the near-storm environment can indicate impending changes in storm intensity. This investigation demonstrates the utility and value of hyperspectral infrared retrieved profiles to diagnose thermodynamic characteristics of the near-storm environment to anticipate changes in hurricane intensity.

Thermodynamic analysis of the advanced zero emission power plant

NASA Astrophysics Data System (ADS)

Kotowicz, Janusz; Job, Marcin

2016-03-01

The paper presents the structure and parameters of advanced zero emission power plant (AZEP). This concept is based on the replacement of the combustion chamber in a gas turbine by the membrane reactor. The reactor has three basic functions: (i) oxygen separation from the air through the membrane, (ii) combustion of the fuel, and (iii) heat transfer to heat the oxygen-depleted air. In the discussed unit hot depleted air is expanded in a turbine and further feeds a bottoming steam cycle (BSC) through the main heat recovery steam generator (HRSG). Flue gas leaving the membrane reactor feeds the second HRSG. The flue gas consist mainly of CO2 and water vapor, thus, CO2 separation involves only the flue gas drying. Results of the thermodynamic analysis of described power plant are presented.

Using machine learning to identify air pollution exposure profiles associated with early cognitive skills among U.S. children.

PubMed

Stingone, Jeanette A; Pandey, Om P; Claudio, Luz; Pandey, Gaurav

2017-11-01

Data-driven machine learning methods present an opportunity to simultaneously assess the impact of multiple air pollutants on health outcomes. The goal of this study was to apply a two-stage, data-driven approach to identify associations between air pollutant exposure profiles and children's cognitive skills. Data from 6900 children enrolled in the Early Childhood Longitudinal Study, Birth Cohort, a national study of children born in 2001 and followed through kindergarten, were linked to estimated concentrations of 104 ambient air toxics in the 2002 National Air Toxics Assessment using ZIP code of residence at age 9 months. In the first-stage, 100 regression trees were learned to identify ambient air pollutant exposure profiles most closely associated with scores on a standardized mathematics test administered to children in kindergarten. In the second-stage, the exposure profiles frequently predicting lower math scores were included within linear regression models and adjusted for confounders in order to estimate the magnitude of their effect on math scores. This approach was applied to the full population, and then to the populations living in urban and highly-populated urban areas. Our first-stage results in the full population suggested children with low trichloroethylene exposure had significantly lower math scores. This association was not observed for children living in urban communities, suggesting that confounding related to urbanicity needs to be considered within the first-stage. When restricting our analysis to populations living in urban and highly-populated urban areas, high isophorone levels were found to predict lower math scores. Within adjusted regression models of children in highly-populated urban areas, the estimated effect of higher isophorone exposure on math scores was -1.19 points (95% CI -1.94, -0.44). Similar results were observed for the overall population of urban children. This data-driven, two-stage approach can be applied to other

Global Validation of MODIS Atmospheric Profile-Derived Near-Surface Air Temperature and Dew Point Estimates

NASA Astrophysics Data System (ADS)

Famiglietti, C.; Fisher, J.; Halverson, G. H.

2017-12-01

This study validates a method of remote sensing near-surface meteorology that vertically interpolates MODIS atmospheric profiles to surface pressure level. The extraction of air temperature and dew point observations at a two-meter reference height from 2001 to 2014 yields global moderate- to fine-resolution near-surface temperature distributions that are compared to geographically and temporally corresponding measurements from 114 ground meteorological stations distributed worldwide. This analysis is the first robust, large-scale validation of the MODIS-derived near-surface air temperature and dew point estimates, both of which serve as key inputs in models of energy, water, and carbon exchange between the land surface and the atmosphere. Results show strong linear correlations between remotely sensed and in-situ near-surface air temperature measurements (R2 = 0.89), as well as between dew point observations (R2 = 0.77). Performance is relatively uniform across climate zones. The extension of mean climate-wise percent errors to the entire remote sensing dataset allows for the determination of MODIS air temperature and dew point uncertainties on a global scale.

Comparison of Profiling Microwave Radiometer, Aircraft, and Radiosonde Measurements From the Alliance Icing Research Study (AIRS)

NASA Technical Reports Server (NTRS)

Reehorst, Andrew L.

2001-01-01

Measurements from a profiling microwave radiometer are compared to measurements from a research aircraft and radiosondes. Data compared is temperature, water vapor, and liquid water profiles. Data was gathered at the Alliance Icing Research Study (AIRS) at Mirabel Airport outside Montreal, Canada during December 1999 and January 2000. All radiometer measurements were found to lose accuracy when the radome was wet. When the radome was not wetted, the radiometer was seen to indicate an inverted distribution of liquid water within a cloud. When the radiometer measurements were made at 15 deg. instead of the standard zenith, the measurements were less accurate.

Leveraging the contribution of thermodynamics in drug discovery with the help of fluorescence-based thermal shift assays.

PubMed

Hau, Jean Christophe; Fontana, Patrizia; Zimmermann, Catherine; De Pover, Alain; Erdmann, Dirk; Chène, Patrick

2011-06-01

The development of new drugs with better pharmacological and safety properties mandates the optimization of several parameters. Today, potency is often used as the sole biochemical parameter to identify and select new molecules. Surprisingly, thermodynamics, which is at the core of any interaction, is rarely used in drug discovery, even though it has been suggested that the selection of scaffolds according to thermodynamic criteria may be a valuable strategy. This poor integration of thermodynamics in drug discovery might be due to difficulties in implementing calorimetry experiments despite recent technological progress in this area. In this report, the authors show that fluorescence-based thermal shift assays could be used as prescreening methods to identify compounds with different thermodynamic profiles. This approach allows a reduction in the number of compounds to be tested in calorimetry experiments, thus favoring greater integration of thermodynamics in drug discovery.

A Module for Assimilating Hyperspectral Infrared Retrieved Profiles into the Gridpoint Statistical Interpolation System for Unique Forecasting Applications

NASA Technical Reports Server (NTRS)

Berndt, Emily; Zavodsky, Bradley; Srikishen, Jayanthi; Blankenship, Clay

2015-01-01

Hyperspectral infrared sounder radiance data are assimilated into operational modeling systems however the process is computationally expensive and only approximately 1% of available data are assimilated due to data thinning as well as the fact that radiances are restricted to cloud-free fields of view. In contrast, the number of hyperspectral infrared profiles assimilated is much higher since the retrieved profiles can be assimilated in some partly cloudy scenes due to profile coupling other data, such as microwave or neural networks, as first guesses to the retrieval process. As the operational data assimilation community attempts to assimilate cloud-affected radiances, it is possible that the use of retrieved profiles might offer an alternative methodology that is less complex and more computationally efficient to solve this problem. The NASA Short-term Prediction Research and Transition (SPoRT) Center has assimilated hyperspectral infrared retrieved profiles into Weather Research and Forecasting Model (WRF) simulations using the Gridpoint Statistical Interpolation (GSI) System. Early research at SPoRT demonstrated improved initial conditions when assimilating Atmospheric Infrared Sounder (AIRS) thermodynamic profiles into WRF (using WRF-Var and assigning more appropriate error weighting to the profiles) to improve regional analysis and heavy precipitation forecasts. Successful early work has led to more recent research utilizing WRF and GSI for applications including the assimilation of AIRS profiles to improve WRF forecasts of atmospheric rivers and assimilation of AIRS, Cross-track Infrared and Microwave Sounding Suite (CrIMSS), and Infrared Atmospheric Sounding Interferometer (IASI) profiles to improve model representation of tropopause folds and associated non-convective wind events. Although more hyperspectral infrared retrieved profiles can be assimilated into model forecasts, one disadvantage is the retrieved profiles have traditionally been assigned the

Wavelet based de-noising of breath air absorption spectra profiles for improved classification by principal component analysis

NASA Astrophysics Data System (ADS)

Kistenev, Yu. V.; Shapovalov, A. V.; Borisov, A. V.; Vrazhnov, D. A.; Nikolaev, V. V.; Nikiforova, O. Yu.

2015-11-01

The comparison results of different mother wavelets used for de-noising of model and experimental data which were presented by profiles of absorption spectra of exhaled air are presented. The impact of wavelets de-noising on classification quality made by principal component analysis are also discussed.

A Comparison of the Red Green Blue Air Mass Imagery and Hyperspectral Infrared Retrieved Profiles

NASA Technical Reports Server (NTRS)

Berndt, E. B.; Folmer, Michael; Dunion, Jason

2014-01-01

The Red Green Blue (RGB) Air Mass imagery is derived from multiple channels or paired channel differences. Multiple channel products typically provide additional information than a single channel can provide alone. The RGB Air Mass imagery simplifies the interpretation of temperature and moisture characteristics of air masses surrounding synoptic and mesoscale features. Despite the ease of interpretation of multiple channel products, the combination of channels and channel differences means the resulting product does not represent a quantity or physical parameter such as brightness temperature in conventional single channel satellite imagery. Without a specific quantity to reference, forecasters are often confused as to what RGB products represent. Hyperspectral infrared retrieved profiles of temperature, moisture, and ozone can provide insight about the air mass represented on the RGB Air Mass product and provide confidence in the product and representation of air masses despite the lack of a quantity to reference for interpretation. This study focuses on RGB Air Mass analysis of Hurricane Sandy as it moved north along the U.S. East Coast, while transitioning to a hybrid extratropical storm. Soundings and total column ozone retrievals were analyzed using data from the Cross-track Infrared and Advanced Technology Microwave Sounder Suite (CrIMSS) on the Suomi National Polar Orbiting Partnership satellite and the Atmospheric Infrared Sounder (AIRS) on the National Aeronautics and Space Administration Aqua satellite along with dropsondes that were collected from National Oceanic and Atmospheric Administration and Air Force research aircraft. By comparing these datasets to the RGB Air Mass, it is possible to capture quantitative information that could help in analyzing the synoptic environment enough to diagnose the onset of extratropical transition. This was done by identifying any stratospheric air intrusions (SAIs) that existed in the vicinity of Sandy as the wind

First-principles configurational thermodynamics of alloyed nanoparticles with adsorbates

NASA Astrophysics Data System (ADS)

Wang, Lin-Lin; Tan, Teck L.; Johnson, Duane D.

2014-03-01

Transition-metal, alloyed nanoparticles (NPs) are key components in current and emerging energy technologies because they are found to improve catalytic activity and selectivity for many energy-conversion processes. However, thermodynamic investigations of the compositional profile of alloyed nanoparticles, which determines their catalytic properties, have been limited mostly to NP core-shell preference without the presence of adsorbates. Here, by extending cluster expansion methods to treat both alloyed nanoparticles and adsorbates, we study the configurational thermodynamics of bimetallic NPs under chemically reactive conditions, using databases from density functional theory calculations. With a few examples, we show that such simulations can provide information needed for rational design of NP catalysts. DOE/BES under DE-FG02-03ER15476 (Catalysis) and DE-AC02-07CH11358 at the Ames Laboratory.

New Technology-Large-Area Three- Dimensional Surface Profiling Using Only Focused Air-Coupled Ultrasound-Given 1999 R&D 100 Award

NASA Technical Reports Server (NTRS)

Roth, Don J.; Kautz, Harold E.; Abel, Phillip B.; Whalen, Mike F.; Hendricks, J. Lynne; Bodis, James R.

2000-01-01

Surface topography, which significantly affects the performance of many industrial components, is normally measured with diamond-tip profilometry over small areas or with optical scattering methods over larger areas. To develop air-coupled surface profilometry, the NASA Glenn Research Center at Lewis Field initiated a Space Act Agreement with Sonix, Inc., through two Glenn programs, the Advanced High Temperature Engine Materials Program (HITEMP) and COMMTECH. The work resulted in quantitative surface topography profiles obtained using only high-frequency, focused ultrasonic pulses in air. The method is nondestructive, noninvasive, and noncontact, and it does not require light-reflective surfaces. Air surface profiling may be desirable when diamond-tip or laserbased methods are impractical, such as over large areas, when a significant depth range is required, or for curved surfaces. When the configuration is optimized, the method is reasonably rapid and all the quantitative analysis facilities are online, including two- and three-dimensional visualization, extreme value filtering (for faulty data), and leveling.

Heat of transport of air in clay.

PubMed

Minkin, Leonid; Shapovalov, Alexander S

2007-01-01

By measuring the thermomolecular pressure difference and using principles of irreversible thermodynamics, heat of transport of air in clay and its coefficient of diffusion are found. A comparison of thermotranspiration and pressure driven gas fluxes through concrete slab in homes is examined. It is shown that thermotranspiration air/radon flow may greatly exceed diffusion (pressure driven) flow in homes.

Film and membrane-model thermodynamics of free thin liquid films.

PubMed

Radke, C J

2015-07-01

In spite of over 7 decades of effort, the thermodynamics of thin free liquid films (as in emulsions and foams) lacks clarity. Following a brief review of the meaning and measurement of thin-film forces (i.e., conjoining/disjoining pressures), we offer a consistent analysis of thin-film thermodynamics. By carefully defining film reversible work, two distinct thermodynamic formalisms emerge: a film model with two zero-volume membranes each of film tension γ(f) and a membrane model with a single zero-volume membrane of membrane tension 2γ(m). In both models, detailed thermodynamic analysis gives rise to thin-film Gibbs adsorption equations that allow calculation of film and membrane tensions from measurements of disjoining-pressure isotherms. A modified Young-Laplace equation arises in the film model to calculate film-thickness profiles from the film center to the surrounding bulk meniscus. No corresponding relation exists in the membrane model. Illustrative calculations of disjoining-pressure isotherms for water are presented using square-gradient theory. We report considerable deviations from Hamaker theory for films less than about 3 nm in thickness. Such thin films are considerably more attractive than in classical Hamaker theory. Available molecular simulations reinforce this finding. Copyright © 2014 Elsevier Inc. All rights reserved.

Thermodynamics of Bioreactions.

PubMed

Held, Christoph; Sadowski, Gabriele

2016-06-07

Thermodynamic principles have been applied to enzyme-catalyzed reactions since the beginning of the 1930s in an attempt to understand metabolic pathways. Currently, thermodynamics is also applied to the design and analysis of biotechnological processes. The key thermodynamic quantity is the Gibbs energy of reaction, which must be negative for a reaction to occur spontaneously. However, the application of thermodynamic feasibility studies sometimes yields positive Gibbs energies of reaction even for reactions that are known to occur spontaneously, such as glycolysis. This article reviews the application of thermodynamics in enzyme-catalyzed reactions. It summarizes the basic thermodynamic relationships used for describing the Gibbs energy of reaction and also refers to the nonuniform application of these relationships in the literature. The review summarizes state-of-the-art approaches that describe the influence of temperature, pH, electrolytes, solvents, and concentrations of reacting agents on the Gibbs energy of reaction and, therefore, on the feasibility and yield of biological reactions.

Thermodynamic analysis of tar reforming through auto-thermal reforming process

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

Nurhadi, N., E-mail: nurhadi@tekmira.esdm.go.id; Diniyati, Dahlia; Efendi, M. Ade Andriansyah

2015-12-29

Fixed bed gasification is a simple and suitable technology for small scale power generation. One of the disadvantages of this technology is producing tar. So far, tar is not utilized yet and being waste that should be treated into a more useful product. This paper presents a thermodynamic analysis of tar conversion into gas producer through non-catalytic auto-thermal reforming technology. Tar was converted into components, C, H, O, N and S, and then reacted with oxidant such as mixture of air or pure oxygen. Thus, this reaction occurred auto-thermally and reached chemical equilibrium. The sensitivity analysis resulted that the mostmore » promising process performance occurred at flow rate of air was reached 43% of stoichiometry while temperature of process is 1100°C, the addition of pure oxygen is 40% and preheating of oxidant flow is 250°C. The yield of the most promising process performance between 11.15-11.17 kmol/h and cold gas efficiency was between 73.8-73.9%.The results of this study indicated that thermodynamically the conversion of tar into producer gas through non-catalytic auto-thermal reformingis more promising.« less

Cantera Integration with the Toolbox for Modeling and Analysis of Thermodynamic Systems (T-MATS)

NASA Technical Reports Server (NTRS)

Lavelle, Thomas M.; Chapman, Jeffryes W.; May, Ryan D.; Litt, Jonathan S.; Guo, Ten-Huei

2014-01-01

NASA Glenn Research Center (GRC) has recently developed a software package for modeling generic thermodynamic systems called the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS). T-MATS is a library of building blocks that can be assembled to represent any thermodynamic system in the Simulink(Registered TradeMark) (The MathWorks, Inc.) environment. These elements, along with a Newton Raphson solver (also provided as part of the T-MATS package), enable users to create models of a wide variety of systems. The current version of T-MATS (v1.0.1) uses tabular data for providing information about a specific mixture of air, water (humidity), and hydrocarbon fuel in calculations of thermodynamic properties. The capabilities of T-MATS can be expanded by integrating it with the Cantera thermodynamic package. Cantera is an object-oriented analysis package that calculates thermodynamic solutions for any mixture defined by the user. Integration of Cantera with T-MATS extends the range of systems that may be modeled using the toolbox. In addition, the library of elements released with Cantera were developed using MATLAB native M-files, allowing for quicker prototyping of elements. This paper discusses how the new Cantera-based elements are created and provides examples for using T-MATS integrated with Cantera.

Cantera Integration with the Toolbox for Modeling and Analysis of Thermodynamic Systems (T-MATS)

NASA Technical Reports Server (NTRS)

Lavelle, Thomas M.; Chapman, Jeffryes W.; May, Ryan D.; Litt, Jonathan S.; Guo, Ten-Huei

2014-01-01

NASA Glenn Research Center (GRC) has recently developed a software package for modeling generic thermodynamic systems called the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS). T-MATS is a library of building blocks that can be assembled to represent any thermodynamic system in the Simulink (The MathWorks, Inc.) environment. These elements, along with a Newton Raphson solver (also provided as part of the T-MATS package), enable users to create models of a wide variety of systems. The current version of T-MATS (v1.0.1) uses tabular data for providing information about a specific mixture of air, water (humidity), and hydrocarbon fuel in calculations of thermodynamic properties. The capabilities of T-MATS can be expanded by integrating it with the Cantera thermodynamic package. Cantera is an object-oriented analysis package that calculates thermodynamic solutions for any mixture defined by the user. Integration of Cantera with T-MATS extends the range of systems that may be modeled using the toolbox. In addition, the library of elements released with Cantera were developed using MATLAB native M-files, allowing for quicker prototyping of elements. This paper discusses how the new Cantera-based elements are created and provides examples for using T-MATS integrated with Cantera.

The dependence of entrainment and drizzle in marine stratiform clouds on biomass burning aerosols derived from stable isotope and thermodynamic profiles

NASA Astrophysics Data System (ADS)

Henze, D.; Noone, D.

2017-12-01

A third of the world's biomass burning aerosol (BBA) particles are generated in southern Africa, and these particles are swept into the midlevel troposphere over the southeast Atlantic Ocean. The presence of these aerosols over the marine environment of the south east Atlantic offers a unique natural laboratory for studying aerosol effects on climate, and specifically a modification to the hydrologic cycle and microphysical characteristics of clouds. Different rates of condensation with high aerosol numbers change the precipitation rates in drizzling stratiform clouds, while the mixing of aerosols into the cloud layer is synonymous with entrainment from above cloud top near the top of the subtropical inversion. To better understanding the magnitude of the aerosol influence on southeast Atlantic boundary layer clouds we analyze the cloud-top entrainment and drizzle as a function of aerosol loading to determine the impact of BBA. Entrainment was determined from mixing line analysis based on profile measurements of moist static energy, total water, and the two most common heavy isotopes of water - HDO and H218O. Data was collected on the P-3 Orion aircraft during the NASA 2017 ORACLES campaign. Using these measurements, a box model was constructed using the combined conservation laws associated with all four of these quantities to estimate the entrainment and rainout of cloud liquid. The population of profiles sampled by the aircraft over the course of the 30 day mission spans varying concentrations of BBA. Initial plots of the water isotope mixing lines show where and to what degree the BBA air mass has mixed into the boundary layer air mass from above. This is demonstrated by the fact that the mixing end-members are the same for the different areas sampled, but the rate at which the various mixing lines are traversed as a function of altitude varies. Further, the mixing lines as a function of height traverse back and forth between end members multiple times over one

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.

Evaluation of Environmental Profiles for Reliability Demonstration

DTIC Science & Technology

1975-09-01

the increase in the ram air flow rate. As a result, one cannot generalize in advance about the effect of velocity increase on air-conditioner turbine ...152 6.2.6.3 Forced Cooling Air Temperature/ Flow Schedule. 152 Sample Test Provile ....... .............. 154 6.2.8 Profiles for Multi...Profiles for Reliability Demonstration Study Flow ....... . ....... 7 2 Typical MIL-STD-781 Profile ................ 23 3 Test Cycle A - Ambient Cooled

Thermodynamics of Radiation Modes

ERIC Educational Resources Information Center

Pina, Eduardo; de la Selva, Sara Maria Teresa

2010-01-01

We study the equilibrium thermodynamics of the electromagnetic radiation in a cavity of a given volume and temperature. We found three levels of description, the thermodynamics of one mode, the thermodynamics of the distribution of frequencies in a band by summing over the frequencies in it and the global thermodynamics by summing over all the…

Determining Cloud Thermodynamic Phase from Micropulse Lidar Network Data

NASA Technical Reports Server (NTRS)

Lewis, Jasper R.; Campbell, James; Lolli, Simone; Tan, Ivy; Welton, Ellsworth J.

2017-01-01

Determining cloud thermodynamic phase is a critical factor in studies of Earth's radiation budget. Here we use observations from the NASA Micro Pulse Lidar Network (MPLNET) and thermodynamic profiles from the Goddard Earth Observing System, version 5 (GEOS-5) to distinguish liquid water, mixed-phase, and ice water clouds. The MPLNET provides sparse global, autonomous, and continuous measurements of clouds and aerosols which have been used in a number of scientific investigations to date. The use of a standardized instrument and a common suite of data processing algorithms with thorough uncertainty characterization allows for straightforward comparisons between sites. Lidars with polarization capabilities have recently been incorporated into the MPLNET project which allows, for the first time, the ability to infer a cloud thermodynamic phase. This presentation will look specifically at the occurrence of ice and mixed phase clouds in the temperature region of -10 C to -40 C for different climatological regions and seasons. We compare MPLNET occurrences of mixed-phase clouds to an historical climatology based on observations from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) instrument aboard the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) spacecraft.

Determining cloud thermodynamic phase from Micropulse Lidar Network data

NASA Astrophysics Data System (ADS)

Lewis, J. R.; Campbell, J. R.; Lolli, S.; Tan, I.; Welton, E. J.

2017-12-01

Determining cloud thermodynamic phase is a critical factor in studies of Earth's radiation budget. Here we use observations from the NASA Micropulse Lidar Network (MPLNET) and thermodynamic profiles from the Goddard Earth Observing System, version 5 (GEOS-5) to distinguish liquid water, mixed-phase, and ice water clouds. The MPLNET provides sparse global, autonomous, and continuous measurements of clouds and aerosols which have been used in a number of scientific investigations to date. The use of a standardized instrument and a common suite of data processing algorithms with thorough uncertainty characterization allows for straightforward comparisons between sites. Lidars with polarization capabilities have recently been incorporated into the MPLNET project which allows, for the first time, the ability to infer a cloud thermodynamic phase. This presentation will look specifically at the occurrence of ice and mixed phase clouds in the temperature region of 0 °C to -40 °C for different climatological regions and seasons. We compare MPLNET occurrences of mixed-phase clouds to an historical climatology based on observations from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) instrument aboard the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) spacecraft.

Advanced classical thermodynamics

NASA Astrophysics Data System (ADS)

Emanuel, George

The theoretical and mathematical foundations of thermodynamics are presented in an advanced text intended for graduate engineering students. Chapters are devoted to definitions and postulates, the fundamental equation, equilibrium, the application of Jacobian theory to thermodynamics, the Maxwell equations, stability, the theory of real gases, critical-point theory, and chemical thermodynamics. Diagrams, graphs, tables, and sample problems are provided.

A shift in emission time profiles of fossil fuel combustion due to energy transitions impacts source receptor matrices for air quality.

PubMed

Hendriks, Carlijn; Kuenen, Jeroen; Kranenburg, Richard; Scholz, Yvonne; Schaap, Martijn

2015-03-01

Effective air pollution and short-lived climate forcer mitigation strategies can only be designed when the effect of emission reductions on pollutant concentrations and health and ecosystem impacts are quantified. Within integrated assessment modeling source-receptor relationships (SRRs) based on chemistry transport modeling are used to this end. Currently, these SRRs are made using invariant emission time profiles. The LOTOS-EUROS model equipped with a source attribution module was used to test this assumption for renewable energy scenarios. Renewable energy availability and thereby fossil fuel back up are strongly dependent on meteorological conditions. We have used the spatially and temporally explicit energy model REMix to derive time profiles for backup power generation. These time profiles were used in LOTOS-EUROS to investigate the effect of emission timing on air pollutant concentrations and SRRs. It is found that the effectiveness of emission reduction in the power sector is significantly lower when accounting for the shift in the way emissions are divided over the year and the correlation of emissions with synoptic situations. The source receptor relationships also changed significantly. This effect was found for both primary and secondary pollutants. Our results indicate that emission timing deserves explicit attention when assessing the impacts of system changes on air quality and climate forcing from short lived substances.

Thermodynamic holography.

PubMed

Wei, Bo-Bo; Jiang, Zhan-Feng; Liu, Ren-Bao

2015-10-19

The holographic principle states that the information about a volume of a system is encoded on the boundary surface of the volume. Holography appears in many branches of physics, such as optics, electromagnetism, many-body physics, quantum gravity, and string theory. Here we show that holography is also an underlying principle in thermodynamics, a most important foundation of physics. The thermodynamics of a system is fully determined by its partition function. We prove that the partition function of a finite but arbitrarily large system is an analytic function on the complex plane of physical parameters, and therefore the partition function in a region on the complex plane is uniquely determined by its values along the boundary. The thermodynamic holography has applications in studying thermodynamics of nano-scale systems (such as molecule engines, nano-generators and macromolecules) and provides a new approach to many-body physics.

Contact symmetries and Hamiltonian thermodynamics

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

Bravetti, A., E-mail: bravetti@correo.nucleares.unam.mx; Lopez-Monsalvo, C.S., E-mail: cesar.slm@correo.nucleares.unam.mx; Nettel, F., E-mail: Francisco.Nettel@roma1.infn.it

It has been shown that contact geometry is the proper framework underlying classical thermodynamics and that thermodynamic fluctuations are captured by an additional metric structure related to Fisher’s Information Matrix. In this work we analyse several unaddressed aspects about the application of contact and metric geometry to thermodynamics. We consider here the Thermodynamic Phase Space and start by investigating the role of gauge transformations and Legendre symmetries for metric contact manifolds and their significance in thermodynamics. Then we present a novel mathematical characterization of first order phase transitions as equilibrium processes on the Thermodynamic Phase Space for which the Legendremore » symmetry is broken. Moreover, we use contact Hamiltonian dynamics to represent thermodynamic processes in a way that resembles the classical Hamiltonian formulation of conservative mechanics and we show that the relevant Hamiltonian coincides with the irreversible entropy production along thermodynamic processes. Therefore, we use such property to give a geometric definition of thermodynamically admissible fluctuations according to the Second Law of thermodynamics. Finally, we show that the length of a curve describing a thermodynamic process measures its entropy production.« less

Fluctuating Thermodynamics for Biological Processes

NASA Astrophysics Data System (ADS)

Ham, Sihyun

Because biomolecular processes are largely under thermodynamic control, dynamic extension of thermodynamics is necessary to uncover the mechanisms and driving factors of fluctuating processes. The fluctuating thermodynamics technology presented in this talk offers a practical means for the thermodynamic characterization of conformational dynamics in biomolecules. The use of fluctuating thermodynamics has the potential to provide a comprehensive picture of fluctuating phenomena in diverse biological processes. Through the application of fluctuating thermodynamics, we provide a thermodynamic perspective on the misfolding and aggregation of the various proteins associated with human diseases. In this talk, I will present the detailed concepts and applications of the fluctuating thermodynamics technology for elucidating biological processes. This work was supported by Samsung Science and Technology Foundation under Project Number SSTF-BA1401-13.

Future constraints on halo thermodynamics from combined Sunyaev-Zel'dovich measurements

NASA Astrophysics Data System (ADS)

Battaglia, Nicholas; Ferraro, Simone; Schaan, Emmanuel; Spergel, David N.

2017-11-01

The improving sensitivity of measurements of the kinetic Sunyaev-Zel'dovich (SZ) effect opens a new window into the thermodynamic properties of the baryons in halos. We propose a methodology to constrain these thermodynamic properties by combining the kinetic SZ, which is an unbiased probe of the free electron density, and the thermal SZ, which probes their thermal pressure. We forecast that our method constrains the average thermodynamic processes that govern the energetics of galaxy evolution like energetic feedback across all redshift ranges where viable halos sample are available. Current Stage-3 cosmic microwave background (CMB) experiments like AdvACT and SPT-3G can measure the kSZ and tSZ to greater than 100σ if combined with a DESI-like spectroscopic survey. Such measurements translate into percent-level constraints on the baryonic density and pressure profiles and on the feedback and non-thermal pressure support parameters for a given ICM model. This in turn will provide critical thermodynamic tests for sub-grid models of feedback in cosmological simulations of galaxy formation. The high fidelity measurements promised by the next generation CMB experiment, CMB-S4, allow one to further sub-divide these constraints beyond redshift into other classifications, like stellar mass or galaxy type.

Using High and Low Resolution Profiles of CO2 and CH4 Measured with AirCores to Evaluate Transport Models and Atmospheric Columns Retrieved from Space

NASA Astrophysics Data System (ADS)

Membrive, O.; Crevoisier, C. D.; Sweeney, C.; Hertzog, A.; Danis, F.; Picon, L.; Engel, A.; Boenisch, H.; Durry, G.; Amarouche, N.

2015-12-01

Over the past decades many methods have been developed to monitor the evolution of greenhouse gases (GHG): ground networks (NOAA, ICOS, TCCON), aircraft campaigns (HIPPO, CARIBIC, Contrail…), satellite observations (GOSAT, IASI, AIRS…). Nevertheless, precise and regular vertical profile measurements are currently still missing from the observing system. To address this need, an original and innovative atmospheric sampling system called AirCore has been developed at NOAA (Karion et al. 2010). This new system allows balloon measurements of GHG vertical profiles from the surface up to 30 km. New versions of this instrument have been developed at LMD: a high-resolution version "AirCore-HR" that differs from other AirCores by its high vertical resolution and two "light" versions (lower resolution) aiming to be flown under meteorological balloon. LMD AirCores were flown on multi-instrument gondolas along with other independent instruments measuring CO2 and CH4 in-situ during the Strato Science balloon campaigns operated by the French space agency CNES in collaboration with the Canadian Space Agency in Timmins (Ontario, Canada) in August 2014 and 2015. First, we will present comparisons of the vertical profiles retrieved with various AirCores (LMD and Frankfurt University) to illustrate repeatability and impact of the vertical resolution as well as comparisons with independent in-situ measurements from other instruments (laser diode based Pico-SDLA). Second, we will illustrate the usefulness of AirCore measurements in the upper troposphere and stratosphere for validating and interpreting vertical profiles from atmospheric transport models as well as observations of total and partial column of methane and carbon dioxide from several current and future spaceborne missions such as: ACE-FTS, IASI and GOSAT.

Stabilized three-stage oxidation of DME/air mixture in a micro flow reactor with a controlled temperature profile

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

Oshibe, Hiroshi; Nakamura, Hisashi; Tezuka, Takuya

Ignition and combustion characteristics of a stoichiometric dimethyl ether (DME)/air mixture in a micro flow reactor with a controlled temperature profile which was smoothly ramped from room temperature to ignition temperature were investigated. Special attention was paid to the multi-stage oxidation in low temperature condition. Normal stable flames in a mixture flow in the high velocity region, and non-stationary pulsating flames and/or repetitive extinction and ignition (FREI) in the medium velocity region were experimentally confirmed as expected from our previous study on a methane/air mixture. In addition, stable double weak flames were observed in the low velocity region for themore » present DME/air mixture case. It is the first observation of stable double flames by the present methodology. Gas sampling was conducted to obtain major species distributions in the flow reactor. The results indicated that existence of low-temperature oxidation was conjectured by the production of CH{sub 2}O occured in the upstream side of the experimental first luminous flame, while no chemiluminescence from it was seen. One-dimensional computation with detailed chemistry and transport was conducted. At low mixture velocities, three-stage oxidation was confirmed from profiles of the heat release rate and major chemical species, which was broadly in agreement with the experimental results. Since the present micro flow reactor with a controlled temperature profile successfully presented the multi-stage oxidations as spatially separated flames, it is shown that this flow reactor can be utilized as a methodology to separate sets of reactions, even for other practical fuels, at different temperature. (author)« less

Using Distributed Temperature Sensing for measuring vertical temperature profiles and air temperature variance in the roughness sublayer above a forest canopy

NASA Astrophysics Data System (ADS)

Schilperoort, B.; Coenders, M.; Savenije, H. H. G.

2017-12-01

In recent years, the accuracy and resolution of Distributed Temperature Sensing (DTS) machines has increased enough to expand its use in atmospheric sciences. With DTS the temperature of a fiber optic (FO) cable can be measured with a high frequency (1 Hz) and high resolution (0.30 m), for cable lengths up to kilometers. At our measurement site, a patch of 26 to 30 m tall Douglas Fir in mixed forest, we placed FO cables vertically along a 48 m tall flux tower. This gives a high resolution vertical temperature profile above, through, and below the canopy. By using a `bare' FO cable, with a diameter of 0.25 mm, we are able to measure variations in air temperature at a very small timescale, and are able to measure a vertical profile of the air temperature variance. The vertical temperature profiles can be used to study the formation of the stable boundary layer above and in the canopy at a high resolution. It also shows that a stable layer can develop below the canopy, which is not limited to night time conditions but also occurs during daytime. The high frequency measurements can be used to study the gradient of the variance of air temperature over the height. To study how the flux tower itself affects temperature variance measurements, the `bare' FO cable can be placed horizontally under a support structure away from the flux tower. Lastly, by using the hot-wire anemometer principle with DTS, the measurements can be expanded to also include vertical wind profile.

Improving GEOS-5 seven day forecast skill by assimilation of quality controlled AIRS temperature profiles

NASA Astrophysics Data System (ADS)

Susskind, J.; Rosenberg, R. I.

2016-12-01

The GEOS-5 Data Assimilation System (DAS) generates a global analysis every six hours by combining the previous six hour forecast for that time period with contemporaneous observations. These observations include in-situ observations as well as those taken by satellite borne instruments, such as AIRS/AMSU on EOS Aqua and CrIS/ATMS on S-NPP. Operational data assimilation methodology assimilates observed channel radiances Ri for IR sounding instruments such as AIRS and CrIS, but only for those channels i in a given scene whose radiances are thought to be unaffected by clouds. A limitation of this approach is that radiances in most tropospheric sounding channels are affected by clouds under partial cloud cover conditions, which occurs most of the time. The AIRS Science Team Version-6 retrieval algorithm generates cloud cleared radiances (CCR's) for each channel in a given scene, which represent the radiances AIRS would have observed if the scene were cloud free, and then uses them to determine quality controlled (QC'd) temperature profiles T(p) under all cloud conditions. There are potential advantages to assimilate either AIRS QC'd CCR's or QC'd T(p) instead of Ri in that the spatial coverage of observations is greater under partial cloud cover. We tested these two alternate data assimilation approaches by running three parallel data assimilation experiments over different time periods using GEOS-5. Experiment 1 assimilated all observations as done operationally, Experiment 2 assimilated QC'd values of AIRS CCRs in place of AIRS radiances, and Experiment 3 assimilated QC'd values of T(p) in place of observed radiances. Assimilation of QC'd AIRS T(p) resulted in significant improvement in seven day forecast skill compared to assimilation of CCR's or assimilation of observed radiances, especially in the Southern Hemisphere Extra-tropics.

Integrative energy-systems design: System structure from thermodynamic optimization

NASA Astrophysics Data System (ADS)

Ordonez, Juan Carlos

This thesis deals with the application of thermodynamic optimization to find optimal structure and operation conditions of energy systems. Chapter 1 outlines the thermodynamic optimization of a combined power and refrigeration system subject to constraints. It is shown that the thermodynamic optimum is reached by distributing optimally the heat exchanger inventory. Chapter 2 considers the maximization of power extraction from a hot stream in the presence of phase change. It shows that when the receiving (cold) stream boils in a counterflow heat exchanger, the thermodynamic optimization consists of locating the optimal capacity rate of the cold stream. Chapter 3 shows that the main architectural features of a counterflow heat exchanger can be determined based on thermodynamic optimization subject to volume constraint. Chapter 4 addresses two basic issues in the thermodynamic optimization of environmental control systems (ECS) for aircraft: realistic limits for the minimal power requirement, and design features that facilitate operation at minimal power consumption. Several models of the ECS-Cabin interaction are considered and it is shown that in all the models the temperature of the air stream that the ECS delivers to the cabin can be optimized for operation at minimal power. In chapter 5 it is shown that the sizes (weights) of heat and fluid flow systems that function on board vehicles such as aircraft can be derived from the maximization of overall (system level) performance. Chapter 6 develops analytically the optimal sizes (hydraulic diameters) of parallel channels that penetrate and cool a volume with uniformly distributed internal heat generation and Chapter 7 shows analytically and numerically how an originally uniform flow structure transforms itself into a nonuniform one when the objective is to minimize global flow losses. It is shown that flow maldistribution and the abandonment of symmetry are necessary for the development of flow structures with

A Comparison of the Red Green Blue (RGB) Air Mass Imagery and Hyperspectral Infrared Retrieved Profiles and NOAA G-IV Dropsondes

NASA Technical Reports Server (NTRS)

Berndt, Emily; Folmer, Michael; Dunion, Jason

2014-01-01

RGB air mass imagery is derived from multiple channels or paired channel differences. The combination of channels and channel differences means the resulting imagery does not represent a quantity or physical parameter such as brightness temperature in conventional single channel imagery. Without a specific quantity to reference, forecasters are often confused as to what RGB products represent. Hyperspectral infrared retrieved profiles and NOAA G-IV dropsondes provide insight about the vertical structure of the air mass represented on the RGB air mass imagery and are a first step to validating the imagery.

Fluctuations of thermodynamic quantities calculated from the fundamental equation of thermodynamics

NASA Astrophysics Data System (ADS)

Yan, Zijun; Chen, Jincan

1992-02-01

On the basis of the probability distribution of the various values of the fluctuation and the fundamental equation of thermodynamics of any given system, a simple and useful method of calculating the fluctuations is presented. By using the method, the fluctuations of thermodynamic quantities can be directly determined from the fundamental equation of thermodynamics. Finally, some examples are given to illustrate the use of the method.

Air pollution profile of Bursa.

PubMed

Ozer, U; Cebe, M; Güneş, M; Aydin, R

1996-01-01

Rapid urbanization and industrial development are the most important causes of air pollution in Bursa. Smoke and sulfur dioxide concentrations were measured at five stations over a period of 20 months between 1986 and 1987; the concentrations of the total suspended particles were determined in the samples collected at two stations in June and October 1986. Some of the trace elements (Fe, Pb, Cd, Zn) were measured in October 1988 by atomic absorption spectroscopy of 28 samples from two stations. The first-order regression equations were calculated in order to find the relationship between the concentrations of smoke, sulfur dioxide, and meteorological conditions. The trends in the concentrations of measured air pollutants were compared by the long- and short-term limit values, as specified in the regulation.

Potential of collocated radiometer and wind profiler observations for monsoon studies

NASA Astrophysics Data System (ADS)

Balaji, B.; Prabha, Thara V.; Jaya Rao, Y.; Kiran, T.; Dinesh, G.; Chakravarty, Kaustav; Sonbawne, S. M.; Rajeevan, M.

2017-09-01

Collocated observations from microwave radiometer and wind profiler are used in a pilot study during the monsoon period to derive information on the thermodynamics and winds and association with rainfall characteristics. These instruments were operated throughout the monsoon season of 2015. Continuous vertical profiles of winds, temperature and humidity show significant promise for understanding the low-level jet, its periodicity and its association with moisture transport, clouds and precipitation embedded within the monsoon large-scale convection. Observations showed mutually beneficial in explaining variability that are part of the low frequency oscillations and the diurnal variability during monsoon. These observations highlight the importance of locally driven convective systems, in the presence of weak moisture transport over the area. The episodic moisture convergence showed a periodicity of 9 days which matches with the subsequent convection and precipitation and thermodynamic regimes. Inferences from the diurnal cycle of moisture transport and the convective activity, relationship with the low-level jet characteristics and thermodynamics are also illustrated.

Optimal Area Profiles for Ideal Single Nozzle Air-Breathing Pulse Detonation Engines

NASA Technical Reports Server (NTRS)

Paxson, Daniel E.

2003-01-01

The effects of cross-sectional area variation on idealized Pulse Detonation Engine performance are examined numerically. A quasi-one-dimensional, reacting, numerical code is used as the kernel of an algorithm that iteratively determines the correct sequencing of inlet air, inlet fuel, detonation initiation, and cycle time to achieve a limit cycle with specified fuel fraction, and volumetric purge fraction. The algorithm is exercised on a tube with a cross sectional area profile containing two degrees of freedom: overall exit-to-inlet area ratio, and the distance along the tube at which continuous transition from inlet to exit area begins. These two parameters are varied over three flight conditions (defined by inlet total temperature, inlet total pressure and ambient static pressure) and the performance is compared to a straight tube. It is shown that compared to straight tubes, increases of 20 to 35 percent in specific impulse and specific thrust are obtained with tubes of relatively modest area change. The iterative algorithm is described, and its limitations are noted and discussed. Optimized results are presented showing performance measurements, wave diagrams, and area profiles. Suggestions for future investigation are also discussed.

Molecular Thermodynamics for Cell Biology as Taught with Boxes

PubMed Central

Mayorga, Luis S.; López, María José; Becker, Wayne M.

2012-01-01

Thermodynamic principles are basic to an understanding of the complex fluxes of energy and information required to keep cells alive. These microscopic machines are nonequilibrium systems at the micron scale that are maintained in pseudo-steady-state conditions by very sophisticated processes. Therefore, several nonstandard concepts need to be taught to rationalize why these very ordered systems proliferate actively all over our planet in seeming contradiction to the second law of thermodynamics. We propose a model consisting of boxes with different shapes that contain small balls that are in constant motion due to a stream of air blowing from below. This is a simple macroscopic system that can be easily visualized by students and that can be understood as mimicking the behavior of a set of molecules exchanging energy. With such boxes, the basic concepts of entropy, enthalpy, and free energy can be taught while reinforcing a molecular understanding of the concepts and stressing the stochastic nature of the thermodynamic laws. In addition, time-related concepts, such as reaction rates and activation energy, can be readily visualized. Moreover, the boxes provide an intuitive way to introduce the role in cellular organization of “information” and Maxwell's demons operating under nonequilibrium conditions. PMID:22383615

Thermodynamic Cycle Analysis of Magnetohydrodynamic-Bypass Hypersonic Airbreathing Engines

NASA Technical Reports Server (NTRS)

Litchford, R. J.; Cole, J. W.; Bityurin, V. A.; Lineberry, J. T.

2000-01-01

The prospects for realizing a magnetohydrodynamic (MHD) bypass hypersonic airbreathing engine are examined from the standpoint of fundamental thermodynamic feasibility. The MHD-bypass engine, first proposed as part of the Russian AJAX vehicle concept, is based on the idea of redistributing energy between various stages of the propulsion system flow train. The system uses an MHD generator to extract a portion of the aerodynamic heating energy from the inlet and an MHD accelerator to reintroduce this power as kinetic energy in the exhaust stream. In this way, the combustor entrance Mach number can be limited to a specified value even as the flight Mach number increases. Thus, the fuel and air can be efficiently mixed and burned within a practical combustor length, and the flight Mach number operating envelope can be extended. In this paper, we quantitatively assess the performance potential and scientific feasibility of MHD-bypass engines using a simplified thermodynamic analysis. This cycle analysis, based on a thermally and calorically perfect gas, incorporates a coupled MHD generator-accelerator system and accounts for aerodynamic losses and thermodynamic process efficiencies in the various engin components. It is found that the flight Mach number range can be significantly extended; however, overall performance is hampered by non-isentropic losses in the MHD devices.

Molecular thermodynamics for cell biology as taught with boxes.

PubMed

Mayorga, Luis S; López, María José; Becker, Wayne M

2012-01-01

Thermodynamic principles are basic to an understanding of the complex fluxes of energy and information required to keep cells alive. These microscopic machines are nonequilibrium systems at the micron scale that are maintained in pseudo-steady-state conditions by very sophisticated processes. Therefore, several nonstandard concepts need to be taught to rationalize why these very ordered systems proliferate actively all over our planet in seeming contradiction to the second law of thermodynamics. We propose a model consisting of boxes with different shapes that contain small balls that are in constant motion due to a stream of air blowing from below. This is a simple macroscopic system that can be easily visualized by students and that can be understood as mimicking the behavior of a set of molecules exchanging energy. With such boxes, the basic concepts of entropy, enthalpy, and free energy can be taught while reinforcing a molecular understanding of the concepts and stressing the stochastic nature of the thermodynamic laws. In addition, time-related concepts, such as reaction rates and activation energy, can be readily visualized. Moreover, the boxes provide an intuitive way to introduce the role in cellular organization of "information" and Maxwell's demons operating under nonequilibrium conditions.

SU-F-T-158: Experimental Characterization of Field Size Dependence of Dose and Lateral Beam Profiles of Scanning Proton and Carbon Ion Beams for Empirical Model in Air

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

Li, Y; Hsi, W; Zhao, J

2016-06-15

Purpose: The Gaussian model for the lateral profiles in air is crucial for an accurate treatment planning system. The field size dependence of dose and the lateral beam profiles of scanning proton and carbon ion beams are due mainly to particles undergoing multiple Coulomb scattering in the beam line components and secondary particles produced by nuclear interactions in the target, both of which depend upon the energy and species of the beam. In this work, lateral profile shape parameters were fitted to measurements of field size dependence dose at the center of field size in air. Methods: Previous studies havemore » employed empirical fits to measured profile data to significantly reduce the QA time required for measurements. From this approach to derive the weight and sigma of lateral profiles in air, empirical model formulations were simulated for three selected energies for both proton and carbon beams. Results: The 20%–80% lateral penumbras predicted by the double model for proton and single model for carbon with the error functions agreed with the measurements within 1 mm. The standard deviation between measured and fitted field size dependence of dose for empirical model in air has a maximum accuracy of 0.74% for proton with double Gaussian, and of 0.57% for carbon with single Gaussian. Conclusion: We have demonstrated that the double Gaussian model of lateral beam profiles is significantly better than the single Gaussian model for proton while a single Gaussian model is sufficient for carbon. The empirical equation may be used to double check the separately obtained model that is currently used by the planning system. The empirical model in air for dose of spot scanning proton and carbon ion beams cannot be directly used for irregular shaped patient fields, but can be to provide reference values for clinical use and quality assurance.« less

Thermodynamics and combustion modeling

NASA Technical Reports Server (NTRS)

Zeleznik, Frank J.

1986-01-01

Modeling fluid phase phenomena blends the conservation equations of continuum mechanics with the property equations of thermodynamics. The thermodynamic contribution becomes especially important when the phenomena involve chemical reactions as they do in combustion systems. The successful study of combustion processes requires (1) the availability of accurate thermodynamic properties for both the reactants and the products of reaction and (2) the computational capabilities to use the properties. A discussion is given of some aspects of the problem of estimating accurate thermodynamic properties both for reactants and products of reaction. Also, some examples of the use of thermodynamic properties for modeling chemically reacting systems are presented. These examples include one-dimensional flow systems and the internal combustion engine.

A Hamiltonian approach to Thermodynamics

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

Baldiotti, M.C., E-mail: baldiotti@uel.br; Fresneda, R., E-mail: rodrigo.fresneda@ufabc.edu.br; Molina, C., E-mail: cmolina@usp.br

In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensivelymore » used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.« less

Discrete Thermodynamics

DOE PAGES

Margolin, L. G.; Hunter, A.

2017-10-18

Here, we consider the dependence of velocity probability distribution functions on the finite size of a thermodynamic system. We are motivated by applications to computational fluid dynamics, hence discrete thermodynamics. We then begin by describing a coarsening process that represents geometric renormalization. Then, based only on the requirements of conservation, we demonstrate that the pervasive assumption of local thermodynamic equilibrium is not form invariant. We develop a perturbative correction that restores form invariance to second-order in a small parameter associated with macroscopic gradients. Finally, we interpret the corrections in terms of unresolved kinetic energy and discuss the implications of ourmore » results both in theory and as applied to numerical simulation.« less

Discrete Thermodynamics

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

Margolin, L. G.; Hunter, A.

Here, we consider the dependence of velocity probability distribution functions on the finite size of a thermodynamic system. We are motivated by applications to computational fluid dynamics, hence discrete thermodynamics. We then begin by describing a coarsening process that represents geometric renormalization. Then, based only on the requirements of conservation, we demonstrate that the pervasive assumption of local thermodynamic equilibrium is not form invariant. We develop a perturbative correction that restores form invariance to second-order in a small parameter associated with macroscopic gradients. Finally, we interpret the corrections in terms of unresolved kinetic energy and discuss the implications of ourmore » results both in theory and as applied to numerical simulation.« less

Thermodynamics of Gas Turbine Cycles with Analytic Derivatives in OpenMDAO

NASA Technical Reports Server (NTRS)

Gray, Justin; Chin, Jeffrey; Hearn, Tristan; Hendricks, Eric; Lavelle, Thomas; Martins, Joaquim R. R. A.

2016-01-01

A new equilibrium thermodynamics analysis tool was built based on the CEA method using the OpenMDAO framework. The new tool provides forward and adjoint analytic derivatives for use with gradient based optimization algorithms. The new tool was validated against the original CEA code to ensure an accurate analysis and the analytic derivatives were validated against finite-difference approximations. Performance comparisons between analytic and finite difference methods showed a significant speed advantage for the analytic methods. To further test the new analysis tool, a sample optimization was performed to find the optimal air-fuel equivalence ratio, , maximizing combustion temperature for a range of different pressures. Collectively, the results demonstrate the viability of the new tool to serve as the thermodynamic backbone for future work on a full propulsion modeling tool.

An EQT-based cDFT approach for thermodynamic properties of confined fluid mixtures

NASA Astrophysics Data System (ADS)

Motevaselian, M. H.; Aluru, N. R.

2017-04-01

We present an empirical potential-based quasi-continuum theory (EQT) to predict the structure and thermodynamic properties of confined fluid mixtures. The central idea in the EQT is to construct potential energies that integrate important atomistic details into a continuum-based model such as the Nernst-Planck equation. The EQT potentials can be also used to construct the excess free energy functional, which is required for the grand potential in the classical density functional theory (cDFT). In this work, we use the EQT-based grand potential to predict various thermodynamic properties of a confined binary mixture of hydrogen and methane molecules inside graphene slit channels of different widths. We show that the EQT-cDFT predictions for the structure, surface tension, solvation force, and local pressure tensor profiles are in good agreement with the molecular dynamics simulations. Moreover, we study the effect of different bulk compositions and channel widths on the thermodynamic properties. Our results reveal that the composition of methane in the mixture can significantly affect the ordering of molecules and thermodynamic properties under confinement. In addition, we find that graphene is selective to methane molecules.

Evolution in thermodynamics

NASA Astrophysics Data System (ADS)

Bejan, Adrian

2017-03-01

This review covers two aspects of "evolution" in thermodynamics. First, with the constructal law, thermodynamics is becoming the domain of physics that accounts for the phenomenon of evolution in nature, in general. Second, thermodynamics (and science generally) is the evolving add-on that empowers humans to predict the future and move more easily on earth, farther and longer in time. The part of nature that thermodynamics represents is this: nothing moves by itself unless it is driven by power, which is then destroyed (dissipated) during movement. Nothing evolves unless it flows and has the freedom to change its architecture such that it provides greater and easier access to the available space. Thermodynamics is the modern science of heat and work and their usefulness, which comes from converting the work (power) into movement (life) in flow architectures that evolve over time to facilitate movement. I also review the rich history of the science, and I clarify misconceptions regarding the second law, entropy, disorder, and the arrow of time, and the supposed analogy between heat and work.

Single-footprint retrievals for AIRS using a fast TwoSlab cloud-representation model and the SARTA all-sky infrared radiative transfer algorithm

NASA Astrophysics Data System (ADS)

DeSouza-Machado, Sergio; Larrabee Strow, L.; Tangborn, Andrew; Huang, Xianglei; Chen, Xiuhong; Liu, Xu; Wu, Wan; Yang, Qiguang

2018-01-01

One-dimensional variational retrievals of temperature and moisture fields from hyperspectral infrared (IR) satellite sounders use cloud-cleared radiances (CCRs) as their observation. These derived observations allow the use of clear-sky-only radiative transfer in the inversion for geophysical variables but at reduced spatial resolution compared to the native sounder observations. Cloud clearing can introduce various errors, although scenes with large errors can be identified and ignored. Information content studies show that, when using multilayer cloud liquid and ice profiles in infrared hyperspectral radiative transfer codes, there are typically only 2-4 degrees of freedom (DOFs) of cloud signal. This implies a simplified cloud representation is sufficient for some applications which need accurate radiative transfer. Here we describe a single-footprint retrieval approach for clear and cloudy conditions, which uses the thermodynamic and cloud fields from numerical weather prediction (NWP) models as a first guess, together with a simple cloud-representation model coupled to a fast scattering radiative transfer algorithm (RTA). The NWP model thermodynamic and cloud profiles are first co-located to the observations, after which the N-level cloud profiles are converted to two slab clouds (TwoSlab; typically one for ice and one for water clouds). From these, one run of our fast cloud-representation model allows an improvement of the a priori cloud state by comparing the observed and model-simulated radiances in the thermal window channels. The retrieval yield is over 90 %, while the degrees of freedom correlate with the observed window channel brightness temperature (BT) which itself depends on the cloud optical depth. The cloud-representation and scattering package is benchmarked against radiances computed using a maximum random overlap (RMO) cloud scheme. All-sky infrared radiances measured by NASA's Atmospheric Infrared Sounder (AIRS) and NWP thermodynamic and cloud

Polynomial approximations of thermodynamic properties of arbitrary gas mixtures over wide pressure and density ranges

NASA Technical Reports Server (NTRS)

Allison, D. O.

1972-01-01

Computer programs for flow fields around planetary entry vehicles require real-gas equilibrium thermodynamic properties in a simple form which can be evaluated quickly. To fill this need, polynomial approximations were found for thermodynamic properties of air and model planetary atmospheres. A coefficient-averaging technique was used for curve fitting in lieu of the usual least-squares method. The polynomials consist of terms up to the ninth degree in each of two variables (essentially pressure and density) including all cross terms. Four of these polynomials can be joined to cover, for example, a range of about 1000 to 11000 K and 0.00001 to 1 atmosphere (1 atm = 1.0133 x 100,000 N/m sq) for a given thermodynamic property. Relative errors of less than 1 percent are found over most of the applicable range.

Biochemical Thermodynamics under near Physiological Conditions

ERIC Educational Resources Information Center

Mendez, Eduardo

2008-01-01

The recommendations for nomenclature and tables in Biochemical Thermodynamics approved by IUBMB and IUPAC in 1994 can be easily introduced after the chemical thermodynamic formalism. Substitution of the usual standard thermodynamic properties by the transformed ones in the thermodynamic equations, and the use of appropriate thermodynamic tables…

Statistical Thermodynamics and Microscale Thermophysics

NASA Astrophysics Data System (ADS)

Carey, Van P.

1999-08-01

Many exciting new developments in microscale engineering are based on the application of traditional principles of statistical thermodynamics. In this text Van Carey offers a modern view of thermodynamics, interweaving classical and statistical thermodynamic principles and applying them to current engineering systems. He begins with coverage of microscale energy storage mechanisms from a quantum mechanics perspective and then develops the fundamental elements of classical and statistical thermodynamics. Subsequent chapters discuss applications of equilibrium statistical thermodynamics to solid, liquid, and gas phase systems. The remainder of the book is devoted to nonequilibrium thermodynamics of transport phenomena and to nonequilibrium effects and noncontinuum behavior at the microscale. Although the text emphasizes mathematical development, Carey includes many examples and exercises to illustrate how the theoretical concepts are applied to systems of scientific and engineering interest. In the process he offers a fresh view of statistical thermodynamics for advanced undergraduate and graduate students, as well as practitioners, in mechanical, chemical, and materials engineering.

Unifying mechanical and thermodynamic descriptions across the thioredoxin protein family.

PubMed

Mottonen, James M; Xu, Minli; Jacobs, Donald J; Livesay, Dennis R

2009-05-15

We compare various predicted mechanical and thermodynamic properties of nine oxidized thioredoxins (TRX) using a Distance Constraint Model (DCM). The DCM is based on a nonadditive free energy decomposition scheme, where entropic contributions are determined from rigidity and flexibility of structure based on distance constraints. We perform averages over an ensemble of constraint topologies to calculate several thermodynamic and mechanical response functions that together yield quantitative stability/flexibility relationships (QSFR). Applied to the TRX protein family, QSFR metrics display a rich variety of similarities and differences. In particular, backbone flexibility is well conserved across the family, whereas cooperativity correlation describing mechanical and thermodynamic couplings between the residue pairs exhibit distinctive features that readily standout. The diversity in predicted QSFR metrics that describe cooperativity correlation between pairs of residues is largely explained by a global flexibility order parameter describing the amount of intrinsic flexibility within the protein. A free energy landscape is calculated as a function of the flexibility order parameter, and key values are determined where the native-state, transition-state, and unfolded-state are located. Another key value identifies a mechanical transition where the global nature of the protein changes from flexible to rigid. The key values of the flexibility order parameter help characterize how mechanical and thermodynamic response is linked. Variation in QSFR metrics and key characteristics of global flexibility are related to the native state X-ray crystal structure primarily through the hydrogen bond network. Furthermore, comparison of three TRX redox pairs reveals differences in thermodynamic response (i.e., relative melting point) and mechanical properties (i.e., backbone flexibility and cooperativity correlation) that are consistent with experimental data on thermal stabilities

Thermodynamics of the interaction of sweeteners and lactisole with fullerenols as an artificial sweet taste receptor model.

PubMed

Chen, Zhong-Xiu; Wu, Wen; Zhang, Wei-Bin; Deng, Shao-Ping

2011-09-01

The thermodynamics of the mimetic interaction of lactisole and sweeteners with fullerenols as a synthetic sweet receptor model was elucidated by Isothermal Titration Calorimetry (ITC) technique. The presence of lactisole resulted in great differences in thermodynamics of the sweeteners binding with fullerenols in which lactisole led to much more entropy contribution to the free energy compared with the interaction of sweeteners with fullerenols. Two interaction equilibrium states were found in ITC titration profiles and competitive binding of lactisole and sweeteners with fullerenols was disclosed. Our results indicated that the larger value of the ratio of two equilibrium constant K1/K2, the more effectively lactisole inhibited the sweetness of the sweetener. The combined results of sensory evaluation and ITC thermodynamics revealed that introducing a synthetic receptor model to interact with the sweeteners and inhibitors helps to understand the inhibition mechanism and the thermodynamic basis for the initiation of sweetness inhibition. Copyright © 2011 Elsevier Ltd. All rights reserved.

Improved Surface Parameter Retrievals using AIRS/AMSU Data

NASA Technical Reports Server (NTRS)

Susskind, Joel; Blaisdell, John

2008-01-01

The AIRS Science Team Version 5.0 retrieval algorithm became operational at the Goddard DAAC in July 2007 generating near real-time products from analysis of AIRS/AMSU sounding data. This algorithm contains many significant theoretical advances over the AIRS Science Team Version 4.0 retrieval algorithm used previously. Two very significant developments of Version 5 are: 1) the development and implementation of an improved Radiative Transfer Algorithm (RTA) which allows for accurate treatment of non-Local Thermodynamic Equilibrium (non-LTE) effects on shortwave sounding channels; and 2) the development of methodology to obtain very accurate case by case product error estimates which are in turn used for quality control. These theoretical improvements taken together enabled a new methodology to be developed which further improves soundings in partially cloudy conditions. In this methodology, longwave C02 channel observations in the spectral region 700 cm(exp -1) to 750 cm(exp -1) are used exclusively for cloud clearing purposes, while shortwave C02 channels in the spectral region 2195 cm(exp -1) 2395 cm(exp -1) are used for temperature sounding purposes. This allows for accurate temperature soundings under more difficult cloud conditions. This paper further improves on the methodology used in Version 5 to derive surface skin temperature and surface spectral emissivity from AIRS/AMSU observations. Now, following the approach used to improve tropospheric temperature profiles, surface skin temperature is also derived using only shortwave window channels. This produces improved surface parameters, both day and night, compared to what was obtained in Version 5. These in turn result in improved boundary layer temperatures and retrieved total O3 burden.

On Study of Air/Space-borne Dual-Wavelength Radar for Estimates of Rain Profiles

NASA Technical Reports Server (NTRS)

Liao, Liang; Meneghini, Robert

2004-01-01

In this study, a framework is discussed to apply air/space-borne dual-wavelength radar for the estimation of characteristic parameters of hydrometeors. The focus of our study is on the Global Precipitation Measurements (GPM) precipitation radar, a dual-wavelength radar that operates at Ku (13.8 GHz) and Ka (35 GHz) bands. As the droplet size distributions (DSD) of rain are expressed as the Gamma function, a procedure is described to derive the median volume diameter (D(sub 0)) and particle number concentration (N(sub T)) of rain. The correspondences of an important quantity of dual-wavelength radar, defined as deferential frequency ratio (DFR), to the D(sub 0) in the melting region are given as a function of the distance from the 0 C isotherm. A self-consistent iterative algorithm that shows a promising to account for rain attenuation of radar and infer the DSD without use of surface reference technique (SRT) is examined by applying it to the apparent radar reflectivity profiles simulated from the DSD model and then comparing the estimates with the model (true) results. For light to moderate rain the self-consistent rain profiling approach converges to unique and correct solutions only if the same shape factors of Gamma functions are used both to generate and retrieve the rain profiles, but does not converges to the true solutions if the DSD form is not chosen correctly. To further examine the dual-wavelength techniques, the self-consistent algorithm, along with forward and backward rain profiling algorithms, is then applied to the measurements taken from the 2nd generation Precipitation Radar (PR-2) built by Jet Propulsion Laboratory. It is found that rain profiles estimated from the forward and backward approaches are not sensitive to shape factor of DSD Gamma distribution, but the self-consistent method is.

Thermodynamics of adaptive molecular resolution.

PubMed

Delgado-Buscalioni, R

2016-11-13

A relatively general thermodynamic formalism for adaptive molecular resolution (AMR) is presented. The description is based on the approximation of local thermodynamic equilibrium and considers the alchemic parameter λ as the conjugate variable of the potential energy difference between the atomistic and coarse-grained model Φ=U (1) -U (0) The thermodynamic formalism recovers the relations obtained from statistical mechanics of H-AdResS (Español et al, J. Chem. Phys. 142, 064115, 2015 (doi:10.1063/1.4907006)) and provides relations between the free energy compensation and thermodynamic potentials. Inspired by this thermodynamic analogy, several generalizations of AMR are proposed, such as the exploration of new Maxwell relations and how to treat λ and Φ as 'real' thermodynamic variablesThis article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

Thermodynamics of adaptive molecular resolution

NASA Astrophysics Data System (ADS)

Delgado-Buscalioni, R.

2016-11-01

A relatively general thermodynamic formalism for adaptive molecular resolution (AMR) is presented. The description is based on the approximation of local thermodynamic equilibrium and considers the alchemic parameter λ as the conjugate variable of the potential energy difference between the atomistic and coarse-grained model Φ=U(1)-U(0). The thermodynamic formalism recovers the relations obtained from statistical mechanics of H-AdResS (Español et al., J. Chem. Phys. 142, 064115, 2015 (doi:10.1063/1.4907006)) and provides relations between the free energy compensation and thermodynamic potentials. Inspired by this thermodynamic analogy, several generalizations of AMR are proposed, such as the exploration of new Maxwell relations and how to treat λ and Φ as `real' thermodynamic variables. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.

Improving Forecast Skill by Assimilation of AIRS Temperature Soundings

NASA Technical Reports Server (NTRS)

Susskind, Joel; Reale, Oreste

2010-01-01

AIRS was launched on EOS Aqua on May 4, 2002, together with AMSU-A and HSB, to form a next generation polar orbiting infrared and microwave atmospheric sounding system. The primary products of AIRS/AMSU-A are twice daily global fields of atmospheric temperature-humidity profiles, ozone profiles, sea/land surface skin temperature, and cloud related parameters including OLR. The AIRS Version 5 retrieval algorithm, is now being used operationally at the Goddard DISC in the routine generation of geophysical parameters derived from AIRS/AMSU data. A major innovation in Version 5 is the ability to generate case-by-case level-by-level error estimates delta T(p) for retrieved quantities and the use of these error estimates for Quality Control. We conducted a number of data assimilation experiments using the NASA GEOS-5 Data Assimilation System as a step toward finding an optimum balance of spatial coverage and sounding accuracy with regard to improving forecast skill. The model was run at a horizontal resolution of 0.5 deg. latitude X 0.67 deg longitude with 72 vertical levels. These experiments were run during four different seasons, each using a different year. The AIRS temperature profiles were presented to the GEOS-5 analysis as rawinsonde profiles, and the profile error estimates delta (p) were used as the uncertainty for each measurement in the data assimilation process. We compared forecasts analyses generated from the analyses done by assimilation of AIRS temperature profiles with three different sets of thresholds; Standard, Medium, and Tight. Assimilation of Quality Controlled AIRS temperature profiles significantly improve 5-7 day forecast skill compared to that obtained without the benefit of AIRS data in all of the cases studied. In addition, assimilation of Quality Controlled AIRS temperature soundings performs better than assimilation of AIRS observed radiances. Based on the experiments shown, Tight Quality Control of AIRS temperature profile performs best

Organochlorine pesticides in soils and air of southern Mexico: Chemical profiles and potential for soil emissions

NASA Astrophysics Data System (ADS)

Wong, Fiona; Alegria, Henry A.; Jantunen, Liisa M.; Bidleman, Terry F.; Salvador-Figueroa, Miguel; Gold-Bouchot, Gerardo; Ceja-Moreno, Victor; Waliszewski, Stefan M.; Infanzon, Raul

The extent of organochlorine pesticides (OCs) contamination in southern Mexico was investigated in this study. Biweekly air samplings were carried out in two sites in the state of Chiapas (during 2002-2003), and one in each state of Veracruz and Tabasco (during 2003-2004). Corresponding to the air sampling locations, soil samples were also collected to gauge the soil-air exchange of OCs in the region. ∑DDTs in soils ranged from 0.057 to 360 ng g -1 whereas those in air ranged from 240 to 2400 pg m -3. DDT and metabolite DDE were expressed as fractional values, FDDTe = p, p'-DDT/( p, p'-DDT + p, p'-DDE) and FDDTo = p,p'-DDT/( p,p'-DDT + o,p'-DDT). FDDTe in soils ranged from 0.30 to 0.69 while those in air ranged from 0.45 to 0.84. FDDTe in air at a farm in Chiapas (0.84) was closer to that of technical DDT (0.95) which is suggestive of fresh DDT input. Enantiomer fractions (EF) of o,p'-DDT in air were racemic at all locations (0.500-0.504). However, nonracemic o,p'-DDT was seen in the soils (EFs = 0.456-0.647). Fugacities of OCs in soil ( fs) and air ( fa) were calculated, and the fugacity fraction, ff = fs/( fs + fa) of DDTs ranged from 0.013 to 0.97 which indicated a mix of net deposition ( ff < 0.5) and volatilization ( ff > 0.5) from soil among the sites. It is suggested that DDTs in Mexico air are due to a combination of ongoing regional usage and re-emission of old DDT residues from soils. Total toxaphene in soils ranged from 0.066 to 69 ng g -1 while levels in air ranged from 6.2 to 230 pg m -3. Chromatographic profiles of toxaphenes in both air and soil showed depletion of Parlar congeners 39 and 42. Fugacity fractions of toxaphene were within the equilibrium range or above the upper equilibrium threshold boundary. These findings suggested that soil emission of old residues is the main source of toxaphenes to the atmosphere. Results from this study provide baseline data for establishing a long-term OC monitoring program in Mexico.

Seasonal ozone vertical profiles over North America using the AQMEII group of air quality models: model inter-comparison and stratospheric intrusion

EPA Science Inventory

This study utilizes simulations for the North American domain from four modeling groups that participated in the third phase of the Air Quality Model Evaluation International Initiative (AQMEII3) to evaluate seasonal ozone vertical profiles simulated for the year 2010 against ozo...

Atmospheric structure prior to tornadoes as derived from proximity and precedent upper-air soundings, covering the period April 1977-June 1979

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

Taylor, G.E.; Darkow, G.L.

1982-05-01

The uniqueness of the thermodynamic and dynamic structure of the atmosphere in the area of imminent tornado bearing storm development is analyzed by comparing 115 tornado proximity soundings with upper air soundings made at the same location 6 and 12 hours earlier (precedent soundings) and with soundings made simultaneously at neighboring upper air stations. The comparisons suggest that both the proximity station and the neighboring station upstream with respect to the mean flow in the low level moist air display very similar degrees of hydrostatic and potential-convective instability by late afternoon. The principal difference is in the wind profiles atmore » the two locations. The tornado proximity station displays significantly stronger wind speeds above 1 km with the most striking difference being in the vertical shear of the wind in the layer from 1 to 3 km above ground level. In this layer the winds at the proximity station show an average increase of about 3 m sec/sup -1/ while the upstream, non-tornadic, station shows a slight decrease of wind speed with height.« less

Modern problems of thermodynamics

NASA Astrophysics Data System (ADS)

Novikov, I. I.

2012-12-01

The role of energy and methods of its saving for the development of human society and life are analyzed. The importance of future use of space energy flows and energy of water and air oceans is emphasized. The authors consider the idea of the unit for production of electric energy and pure substances using sodium chloride which reserves are limitless on the planet. Looking retrospectively at the development of power engineering from the elementary fire to modern electric power station, we see that the used method of heat production, namely by direct interaction of fuel and oxidizer, is the simplest. However, it may be possible to combust coal, i.e., carbon in salt melt, for instance, sodium chloride that would be more rational and efficient. If the stated problems are solved positively, we would master all energy properties of the substance; and this is the main problem of thermodynamics being one of the sciences on energy.

Effect of fuel/air nonuniformity on nitric oxide emissions

NASA Technical Reports Server (NTRS)

Lyons, V. J.

1979-01-01

A flame tube combustor holding jet A fuel was used in experiments performed at a pressure of .3 Mpa and a reference velocity of 25 meters/second for three inlet air temperatures of 600, 700, and 800 K. The gas sample measurements were taken at locations 18 cm and 48 cm downstream of the perforated plate flameholder. Nonuniform fuel/air profiles were produced using a fuel injector by separately fueling the inner five fuel tubes and the outer ring of twelve fuel tubes. Six fuel/air profiles were produced for nominal overall equivalence ratios of .5 and .6. An example of three of three of these profiles and their resultant nitric oxide NOx emissions are presented. The uniform fuel/air profile cases produced uniform and relatively low profile levels. When the profiles were either center-peaked or edge-peaked, the overall mass-weighted nitric oxide levels increased.

Thermodynamic Environments Supporting Extreme Convection in Subtropical South America

NASA Astrophysics Data System (ADS)

Rasmussen, K. L.; Trier, S. B.

2015-12-01

Extreme convection tends to form in the vicinity of mountain ranges, and the Andes in subtropical South America help spawn some of the most intense convection in the world. Subsequent to initiation, the convection often evolves into propagating mesoscale convective systems (MCSs) similar to those seen over the U.S. Great Plains and produces damaging tornadoes, hail, and floods across a wide agricultural region. In recent years, studies on the nature of convection in subtropical South America using spaceborne radar data have elucidated key processes responsible for their extreme characteristics, including a strong relationship between the Andes topography and convective initiation. Building on previous work, an investigation of the thermodynamic environment supporting some of the deepest convection in the world will be presented. In particular, an analysis of the thermodynamic destabilization in subtropical South America, which considers the parcel buoyancy minimum for conditionally unstable air parcels, will be presented. Additional comparisons between the nocturnal nature and related diurnal cycle of MCSs in subtropical South America the U.S. Great Plains will provide insights into the processes controlling MCS initiation and upscale growth.

Thermodynamic analysis of steam-injected advanced gas turbine cycles

NASA Astrophysics Data System (ADS)

Pandey, Devendra; Bade, Mukund H.

2017-12-01

This paper deals with thermodynamic analysis of steam-injected gas turbine (STIGT) cycle. To analyse the thermodynamic performance of steam-injected gas turbine (STIGT) cycles, a methodology based on pinch analysis is proposed. This graphical methodology is a systematic approach proposed for a selection of gas turbine with steam injection. The developed graphs are useful for selection of steam-injected gas turbine (STIGT) for optimal operation of it and helps designer to take appropriate decision. The selection of steam-injected gas turbine (STIGT) cycle can be done either at minimum steam ratio (ratio of mass flow rate of steam to air) with maximum efficiency or at maximum steam ratio with maximum net work conditions based on the objective of plants designer. Operating the steam injection based advanced gas turbine plant at minimum steam ratio improves efficiency, resulting in reduction of pollution caused by the emission of flue gases. On the other hand, operating plant at maximum steam ratio can result in maximum work output and hence higher available power.

Thermodynamics of the Coma Cluster Outskirts

NASA Astrophysics Data System (ADS)

Simionescu, A.; Werner, N.; Urban, O.; Allen, S. W.; Fabian, A. C.; Mantz, A.; Matsushita, K.; Nulsen, P. E. J.; Sanders, J. S.; Sasaki, T.; Sato, T.; Takei, Y.; Walker, S. A.

2013-09-01

We present results from a large mosaic of Suzaku observations of the Coma Cluster, the nearest and X-ray brightest hot (~8 keV), dynamically active, non-cool core system, focusing on the thermodynamic properties of the intracluster medium on large scales. For azimuths not aligned with an infalling subcluster toward the southwest, our measured temperature and X-ray brightness profiles exhibit broadly consistent radial trends, with the temperature decreasing from about 8.5 keV at the cluster center to about 2 keV at a radius of 2 Mpc, which is the edge of our detection limit. The southwest merger significantly boosts the surface brightness, allowing us to detect X-ray emission out to ~2.2 Mpc along this direction. Apart from the southwestern infalling subcluster, the surface brightness profiles show multiple edges around radii of 30-40 arcmin. The azimuthally averaged temperature profile, as well as the deprojected density and pressure profiles, all show a sharp drop consistent with an outwardly-propagating shock front located at 40 arcmin, corresponding to the outermost edge of the giant radio halo observed at 352 MHz with the Westerbork Synthesis Radio Telescope. The shock front may be powering this radio emission. A clear entropy excess inside of r 500 reflects the violent merging events linked with these morphological features. Beyond r 500, the entropy profiles of the Coma Cluster along the relatively relaxed directions are consistent with the power-law behavior expected from simple models of gravitational large-scale structure formation. The pressure is also in agreement at these radii with the expected values measured from Sunyaev-Zel'dovich data from the Planck satellite. However, due to the large uncertainties associated with the Coma Cluster measurements, we cannot yet exclude an entropy flattening in this system consistent with that seen in more relaxed cool core clusters.

Air Force seal activities

NASA Astrophysics Data System (ADS)

Mayhew, Ellen R.

1994-07-01

Seal technology development is an important part of the Air Force's participation in the Integrated High Performance Turbine Engine Technology (IHPTET) initiative, the joint DOD, NASA, ARPA, and industry endeavor to double turbine engine capabilities by the turn of the century. Significant performance and efficiency improvements can be obtained through reducing internal flow system leakage, but seal environment requirements continue to become more extreme as the engine thermodynamic cycles advance towards these IHPTET goals. Brush seal technology continues to be pursued by the Air Force to reduce leakage at the required conditions. Likewise, challenges in engine mainshaft air/oil seals are also being addressed. Counter-rotating intershaft applications within the IHPTET initiative involve very high rubbing velocities. This viewgraph presentation briefly describes past and current seal research and development programs and gives a summary of seal applications in demonstrator and developmental engine testing.

Coherence and measurement in quantum thermodynamics

PubMed Central

Kammerlander, P.; Anders, J.

2016-01-01

Thermodynamics is a highly successful macroscopic theory widely used across the natural sciences and for the construction of everyday devices, from car engines to solar cells. With thermodynamics predating quantum theory, research now aims to uncover the thermodynamic laws that govern finite size systems which may in addition host quantum effects. Recent theoretical breakthroughs include the characterisation of the efficiency of quantum thermal engines, the extension of classical non-equilibrium fluctuation theorems to the quantum regime and a new thermodynamic resource theory has led to the discovery of a set of second laws for finite size systems. These results have substantially advanced our understanding of nanoscale thermodynamics, however putting a finger on what is genuinely quantum in quantum thermodynamics has remained a challenge. Here we identify information processing tasks, the so-called projections, that can only be formulated within the framework of quantum mechanics. We show that the physical realisation of such projections can come with a non-trivial thermodynamic work only for quantum states with coherences. This contrasts with information erasure, first investigated by Landauer, for which a thermodynamic work cost applies for classical and quantum erasure alike. Repercussions on quantum work fluctuation relations and thermodynamic single-shot approaches are also discussed. PMID:26916503

Coherence and measurement in quantum thermodynamics.

PubMed

Kammerlander, P; Anders, J

2016-02-26

Thermodynamics is a highly successful macroscopic theory widely used across the natural sciences and for the construction of everyday devices, from car engines to solar cells. With thermodynamics predating quantum theory, research now aims to uncover the thermodynamic laws that govern finite size systems which may in addition host quantum effects. Recent theoretical breakthroughs include the characterisation of the efficiency of quantum thermal engines, the extension of classical non-equilibrium fluctuation theorems to the quantum regime and a new thermodynamic resource theory has led to the discovery of a set of second laws for finite size systems. These results have substantially advanced our understanding of nanoscale thermodynamics, however putting a finger on what is genuinely quantum in quantum thermodynamics has remained a challenge. Here we identify information processing tasks, the so-called projections, that can only be formulated within the framework of quantum mechanics. We show that the physical realisation of such projections can come with a non-trivial thermodynamic work only for quantum states with coherences. This contrasts with information erasure, first investigated by Landauer, for which a thermodynamic work cost applies for classical and quantum erasure alike. Repercussions on quantum work fluctuation relations and thermodynamic single-shot approaches are also discussed.

Coherence and measurement in quantum thermodynamics

NASA Astrophysics Data System (ADS)

Kammerlander, P.; Anders, J.

2016-02-01

Thermodynamics is a highly successful macroscopic theory widely used across the natural sciences and for the construction of everyday devices, from car engines to solar cells. With thermodynamics predating quantum theory, research now aims to uncover the thermodynamic laws that govern finite size systems which may in addition host quantum effects. Recent theoretical breakthroughs include the characterisation of the efficiency of quantum thermal engines, the extension of classical non-equilibrium fluctuation theorems to the quantum regime and a new thermodynamic resource theory has led to the discovery of a set of second laws for finite size systems. These results have substantially advanced our understanding of nanoscale thermodynamics, however putting a finger on what is genuinely quantum in quantum thermodynamics has remained a challenge. Here we identify information processing tasks, the so-called projections, that can only be formulated within the framework of quantum mechanics. We show that the physical realisation of such projections can come with a non-trivial thermodynamic work only for quantum states with coherences. This contrasts with information erasure, first investigated by Landauer, for which a thermodynamic work cost applies for classical and quantum erasure alike. Repercussions on quantum work fluctuation relations and thermodynamic single-shot approaches are also discussed.

Giant hub Src and Syk tyrosine kinase thermodynamic profiles recapitulate evolution

NASA Astrophysics Data System (ADS)

Phillips, J. C.

2017-10-01

Thermodynamic scaling theory, previously applied mainly to small proteins, here analyzes quantitative evolution of the titled functional network giant hub enzymes. The broad domain structure identified homologically is confirmed hydropathically using amino acid sequences only. The most surprising results concern the evolution of the tyrosine kinase globular surface roughness from avians to mammals, which is first order, compared to the evolution within mammals from rodents to humans, which is second order. The mystery of the unique amide terminal region of proto oncogene tyrosine protein kinase is resolved by the discovery there of a rare hydroneutral septad targeting cluster, which is paralleled by an equally rare octad catalytic cluster in tyrosine kinase in humans and a few other species (cat and dog). These results, which go far towards explaining why these proteins are among the largest giant hubs in protein interaction networks, use no adjustable parameters.

Thermodynamically efficient solar concentrators

NASA Astrophysics Data System (ADS)

Winston, Roland

2012-10-01

Non-imaging Optics is the theory of thermodynamically efficient optics and as such depends more on thermodynamics than on optics. Hence in this paper a condition for the "best" design is proposed based on purely thermodynamic arguments, which we believe has profound consequences for design of thermal and even photovoltaic systems. This new way of looking at the problem of efficient concentration depends on probabilities, the ingredients of entropy and information theory while "optics" in the conventional sense recedes into the background.

The OpenCalphad thermodynamic software interface.

PubMed

Sundman, Bo; Kattner, Ursula R; Sigli, Christophe; Stratmann, Matthias; Le Tellier, Romain; Palumbo, Mauro; Fries, Suzana G

2016-12-01

Thermodynamic data are needed for all kinds of simulations of materials processes. Thermodynamics determines the set of stable phases and also provides chemical potentials, compositions and driving forces for nucleation of new phases and phase transformations. Software to simulate materials properties needs accurate and consistent thermodynamic data to predict metastable states that occur during phase transformations. Due to long calculation times thermodynamic data are frequently pre-calculated into "lookup tables" to speed up calculations. This creates additional uncertainties as data must be interpolated or extrapolated and conditions may differ from those assumed for creating the lookup table. Speed and accuracy requires that thermodynamic software is fully parallelized and the Open-Calphad (OC) software is the first thermodynamic software supporting this feature. This paper gives a brief introduction to computational thermodynamics and introduces the basic features of the OC software and presents four different application examples to demonstrate its versatility.

Electrochemical thermodynamic measurement system

DOEpatents

Reynier, Yvan [Meylan, FR; Yazami, Rachid [Los Angeles, CA; Fultz, Brent T [Pasadena, CA

2009-09-29

The present invention provides systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and electrochemical energy storage and conversion systems. Systems and methods of the present invention are configured for simultaneously collecting a suite of measurements characterizing a plurality of interconnected electrochemical and thermodynamic parameters relating to the electrode reaction state of advancement, voltage and temperature. Enhanced sensitivity provided by the present methods and systems combined with measurement conditions that reflect thermodynamically stabilized electrode conditions allow very accurate measurement of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and electrochemical systems, such as the energy, power density, current rate and the cycle life of an electrochemical cell.

Thermodynamics and evolution.

PubMed

Demetrius, L

2000-09-07

The science of thermodynamics is concerned with understanding the properties of inanimate matter in so far as they are determined by changes in temperature. The Second Law asserts that in irreversible processes there is a uni-directional increase in thermodynamic entropy, a measure of the degree of uncertainty in the thermal energy state of a randomly chosen particle in the aggregate. The science of evolution is concerned with understanding the properties of populations of living matter in so far as they are regulated by changes in generation time. Directionality theory, a mathematical model of the evolutionary process, establishes that in populations subject to bounded growth constraints, there is a uni-directional increase in evolutionary entropy, a measure of the degree of uncertainty in the age of the immediate ancestor of a randomly chosen newborn. This article reviews the mathematical basis of directionality theory and analyses the relation between directionality theory and statistical thermodynamics. We exploit an analytic relation between temperature, and generation time, to show that the directionality principle for evolutionary entropy is a non-equilibrium extension of the principle of a uni-directional increase of thermodynamic entropy. The analytic relation between these directionality principles is consistent with the hypothesis of the equivalence of fundamental laws as one moves up the hierarchy, from a molecular ensemble where the thermodynamic laws apply, to a population of replicating entities (molecules, cells, higher organisms), where evolutionary principles prevail. Copyright 2000 Academic Press.

Air Pollution in the World's Megacities.

ERIC Educational Resources Information Center

Richman, Barbara T., Ed.

1994-01-01

Reports findings of the Global Environment Monitoring System study concerning air pollution in the world's megacities. Discusses sources of air pollution, air pollution impacts, air quality monitoring, air quality trends, and control strategies. Provides profiles of the problem in Beijing, Los Angeles, Mexico City, India, Cairo, Sao Paulo, and…

Performance comparison of different thermodynamic cycles for an innovative central receiver solar power plant

NASA Astrophysics Data System (ADS)

Reyes-Belmonte, Miguel A.; Sebastián, Andrés; González-Aguilar, José; Romero, Manuel

2017-06-01

The potential of using different thermodynamic cycles coupled to a solar tower central receiver that uses a novel heat transfer fluid is analyzed. The new fluid, named as DPS, is a dense suspension of solid particles aerated through a tubular receiver used to convert concentrated solar energy into thermal power. This novel fluid allows reaching high temperatures at the solar receiver what opens a wide range of possibilities for power cycle selection. This work has been focused into the assessment of power plant performance using conventional, but optimized cycles but also novel thermodynamic concepts. Cases studied are ranging from subcritical steam Rankine cycle; open regenerative Brayton air configurations at medium and high temperature; combined cycle; closed regenerative Brayton helium scheme and closed recompression supercritical carbon dioxide Brayton cycle. Power cycle diagrams and working conditions for design point are compared amongst the studied cases for a common reference thermal power of 57 MWth reaching the central cavity receiver. It has been found that Brayton air cycle working at high temperature or using supercritical carbon dioxide are the most promising solutions in terms of efficiency conversion for the power block of future generation by means of concentrated solar power plants.

The OpenCalphad thermodynamic software interface

PubMed Central

Sundman, Bo; Kattner, Ursula R; Sigli, Christophe; Stratmann, Matthias; Le Tellier, Romain; Palumbo, Mauro; Fries, Suzana G

2017-01-01

Thermodynamic data are needed for all kinds of simulations of materials processes. Thermodynamics determines the set of stable phases and also provides chemical potentials, compositions and driving forces for nucleation of new phases and phase transformations. Software to simulate materials properties needs accurate and consistent thermodynamic data to predict metastable states that occur during phase transformations. Due to long calculation times thermodynamic data are frequently pre-calculated into “lookup tables” to speed up calculations. This creates additional uncertainties as data must be interpolated or extrapolated and conditions may differ from those assumed for creating the lookup table. Speed and accuracy requires that thermodynamic software is fully parallelized and the Open-Calphad (OC) software is the first thermodynamic software supporting this feature. This paper gives a brief introduction to computational thermodynamics and introduces the basic features of the OC software and presents four different application examples to demonstrate its versatility. PMID:28260838

Interfacial engineering of solution-processed Ni nanochain-SiO x (x< 2) cermets towards thermodynamically stable, anti-oxidation solar selective absorbers

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

Yu, Xiaobai; Wang, Xiaoxin; Zhang, Qinglin

Here, cermet solar thermal selective absorber coatings are an important component of high-efficiency concentrated solar power (CSP) receivers. The oxidation of the metal nanoparticles in cermet solar absorbers is a great challenge for vacuum-free operation. Recently, we have demonstrated that oxidation is kinetically retarded in solution processed, high-optical-performance Ni nanochain-SiO x cermet system compared to conventional Ni-Al 2O 3 system when annealed in air at 450–600 °C for several hours. However, for long-term, high-temperature applications in CSP systems, thermodynamically stable antioxidation behavior is highly desirable, which requires new mechanisms beyond kinetically reducing the oxidation rate. Towards this goal, in thismore » paper, we demonstrate that pre-operation annealing of Ni nanochain-SiO x cermets at 900 °C in N 2 forms the thermodynamically stable orthorhombic phase of NiSi at the Ni/SiO x interfaces, leading to self-terminated oxidation at 550 °C in air due to this interfacial engineering. In contrast, pre-operation annealing at a lower temperature of 750 °C in N 2 (as conducted in our previous work) cannot achieve interfacial NiSi formation directly, and further annealing in air at 450–600 °C for >4 h only leads to the formation of the less stable (metastable) hexagonal phase of NiSi. Therefore, the high-temperature pre-operation annealing is critical to form the desirable orthorhombic phase of NiSi at Ni/SiO x interfaces towards thermodynamically stable antioxidation behavior. Remarkably, with this improved interfacial engineering, the oxidation of 80-nm-diameter Ni nanochain-SiO x saturates after annealing at 550 °C in air for 12 h. Additional annealing at 550 °C in air for as long as 20 h (i.e., 32 h air annealing at >550 °C in total) has almost no further impact on the structural or optical properties of the coatings, the latter being very sensitive to any interfacial changes due to the localized surface plasmon

Interfacial engineering of solution-processed Ni nanochain-SiO x (x< 2) cermets towards thermodynamically stable, anti-oxidation solar selective absorbers

DOE PAGES

Yu, Xiaobai; Wang, Xiaoxin; Zhang, Qinglin; ...

2016-04-01

Here, cermet solar thermal selective absorber coatings are an important component of high-efficiency concentrated solar power (CSP) receivers. The oxidation of the metal nanoparticles in cermet solar absorbers is a great challenge for vacuum-free operation. Recently, we have demonstrated that oxidation is kinetically retarded in solution processed, high-optical-performance Ni nanochain-SiO x cermet system compared to conventional Ni-Al 2O 3 system when annealed in air at 450–600 °C for several hours. However, for long-term, high-temperature applications in CSP systems, thermodynamically stable antioxidation behavior is highly desirable, which requires new mechanisms beyond kinetically reducing the oxidation rate. Towards this goal, in thismore » paper, we demonstrate that pre-operation annealing of Ni nanochain-SiO x cermets at 900 °C in N 2 forms the thermodynamically stable orthorhombic phase of NiSi at the Ni/SiO x interfaces, leading to self-terminated oxidation at 550 °C in air due to this interfacial engineering. In contrast, pre-operation annealing at a lower temperature of 750 °C in N 2 (as conducted in our previous work) cannot achieve interfacial NiSi formation directly, and further annealing in air at 450–600 °C for >4 h only leads to the formation of the less stable (metastable) hexagonal phase of NiSi. Therefore, the high-temperature pre-operation annealing is critical to form the desirable orthorhombic phase of NiSi at Ni/SiO x interfaces towards thermodynamically stable antioxidation behavior. Remarkably, with this improved interfacial engineering, the oxidation of 80-nm-diameter Ni nanochain-SiO x saturates after annealing at 550 °C in air for 12 h. Additional annealing at 550 °C in air for as long as 20 h (i.e., 32 h air annealing at >550 °C in total) has almost no further impact on the structural or optical properties of the coatings, the latter being very sensitive to any interfacial changes due to the localized surface plasmon

Black hole chemistry: thermodynamics with Lambda

NASA Astrophysics Data System (ADS)

Kubizňák, David; Mann, Robert B.; Teo, Mae

2017-03-01

We review recent developments on the thermodynamics of black holes in extended phase space, where the cosmological constant is interpreted as thermodynamic pressure and treated as a thermodynamic variable in its own right. In this approach, the mass of the black hole is no longer regarded as internal energy, rather it is identified with the chemical enthalpy. This leads to an extended dictionary for black hole thermodynamic quantities; in particular a notion of thermodynamic volume emerges for a given black hole spacetime. This volume is conjectured to satisfy the reverse isoperimetric inequality—an inequality imposing a bound on the amount of entropy black hole can carry for a fixed thermodynamic volume. New thermodynamic phase transitions naturally emerge from these identifications. Namely, we show that black holes can be understood from the viewpoint of chemistry, in terms of concepts such as Van der Waals fluids, reentrant phase transitions, and triple points. We also review the recent attempts at extending the AdS/CFT dictionary in this setting, discuss the connections with horizon thermodynamics, applications to Lifshitz spacetimes, and outline possible future directions in this field.

Thermodynamics of Accelerating Black Holes.

PubMed

Appels, Michael; Gregory, Ruth; Kubizňák, David

2016-09-23

We address a long-standing problem of describing the thermodynamics of an accelerating black hole. We derive a standard first law of black hole thermodynamics, with the usual identification of entropy proportional to the area of the event horizon-even though the event horizon contains a conical singularity. This result not only extends the applicability of black hole thermodynamics to realms previously not anticipated, it also opens a possibility for studying novel properties of an important class of exact radiative solutions of Einstein equations describing accelerated objects. We discuss the thermodynamic volume, stability, and phase structure of these black holes.

Thermodynamic Constraints Improve Metabolic Networks.

PubMed

Krumholz, Elias W; Libourel, Igor G L

2017-08-08

In pursuit of establishing a realistic metabolic phenotypic space, the reversibility of reactions is thermodynamically constrained in modern metabolic networks. The reversibility constraints follow from heuristic thermodynamic poise approximations that take anticipated cellular metabolite concentration ranges into account. Because constraints reduce the feasible space, draft metabolic network reconstructions may need more extensive reconciliation, and a larger number of genes may become essential. Notwithstanding ubiquitous application, the effect of reversibility constraints on the predictive capabilities of metabolic networks has not been investigated in detail. Instead, work has focused on the implementation and validation of the thermodynamic poise calculation itself. With the advance of fast linear programming-based network reconciliation, the effects of reversibility constraints on network reconciliation and gene essentiality predictions have become feasible and are the subject of this study. Networks with thermodynamically informed reversibility constraints outperformed gene essentiality predictions compared to networks that were constrained with randomly shuffled constraints. Unconstrained networks predicted gene essentiality as accurately as thermodynamically constrained networks, but predicted substantially fewer essential genes. Networks that were reconciled with sequence similarity data and strongly enforced reversibility constraints outperformed all other networks. We conclude that metabolic network analysis confirmed the validity of the thermodynamic constraints, and that thermodynamic poise information is actionable during network reconciliation. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Aerosol effect on the evolution of the thermodynamic properties of warm convective cloud fields

PubMed Central

Dagan, Guy; Koren, Ilan; Altaratz, Orit; Heiblum, Reuven H.

2016-01-01

Convective cloud formation and evolution strongly depend on environmental temperature and humidity profiles. The forming clouds change the profiles that created them by redistributing heat and moisture. Here we show that the evolution of the field’s thermodynamic properties depends heavily on the concentration of aerosol, liquid or solid particles suspended in the atmosphere. Under polluted conditions, rain formation is suppressed and the non-precipitating clouds act to warm the lower part of the cloudy layer (where there is net condensation) and cool and moisten the upper part of the cloudy layer (where there is net evaporation), thereby destabilizing the layer. Under clean conditions, precipitation causes net warming of the cloudy layer and net cooling of the sub-cloud layer (driven by rain evaporation), which together act to stabilize the atmosphere with time. Previous studies have examined different aspects of the effects of clouds on their environment. Here, we offer a complete analysis of the cloudy atmosphere, spanning the aerosol effect from instability-consumption to enhancement, below, inside and above warm clouds, showing the temporal evolution of the effects. We propose a direct measure for the magnitude and sign of the aerosol effect on thermodynamic instability. PMID:27929097

Aerosol effect on the evolution of the thermodynamic properties of warm convective cloud fields.

PubMed

Dagan, Guy; Koren, Ilan; Altaratz, Orit; Heiblum, Reuven H

2016-12-08

Convective cloud formation and evolution strongly depend on environmental temperature and humidity profiles. The forming clouds change the profiles that created them by redistributing heat and moisture. Here we show that the evolution of the field's thermodynamic properties depends heavily on the concentration of aerosol, liquid or solid particles suspended in the atmosphere. Under polluted conditions, rain formation is suppressed and the non-precipitating clouds act to warm the lower part of the cloudy layer (where there is net condensation) and cool and moisten the upper part of the cloudy layer (where there is net evaporation), thereby destabilizing the layer. Under clean conditions, precipitation causes net warming of the cloudy layer and net cooling of the sub-cloud layer (driven by rain evaporation), which together act to stabilize the atmosphere with time. Previous studies have examined different aspects of the effects of clouds on their environment. Here, we offer a complete analysis of the cloudy atmosphere, spanning the aerosol effect from instability-consumption to enhancement, below, inside and above warm clouds, showing the temporal evolution of the effects. We propose a direct measure for the magnitude and sign of the aerosol effect on thermodynamic instability.

Experimental evaluation of refrigerant mass charge and ambient air temperature effects on performance of air-conditioning systems

NASA Astrophysics Data System (ADS)

Deymi-Dashtebayaz, Mahdi; Farahnak, Mehdi; Moraffa, Mojtaba; Ghalami, Arash; Mohammadi, Nima

2018-03-01

In this paper the effects of refrigerant charge amount and ambient air temperature on performance and thermodynamic condition of refrigerating cycle in the split type air-conditioner have been investigated. Optimum mass charge is the point at which the energy efficiency ratio (EER) of refrigeration cycle becomes the maximum. Experiments have been conducted over a range of refrigerant mass charge from 540 to 840 g and a range of ambient temperature from 27 to 45 °C, in a 12,000 Btu/h split air-conditioner as case study. The various parameters have been considered to evaluate the cooling rate, energy efficiency ratio (EER), mass charge effect and thermodynamic cycle of refrigeration system with R22 refrigerant gas. Results confirmed that the lack of appropriate refrigerant mass charge causes the refrigeration system not to reach its maximum cooling capacity. The highest cooling capacity achieved was 3.2 kW (11,000 Btu/h). The optimum mass charge and corresponding EER of studied system have been obtained about 640 g and 2.5, respectively. Also, it is observed that EER decreases by 30% as ambient temperature increases from 27 °C to 45 °C. By optimization of the refrigerant mass charge in refrigerating systems, about 785 GWh per year of electric energy can be saved in Iran's residential sector.

Beating the thermodynamic limit with photo-activation of n-doping in organic semiconductors

NASA Astrophysics Data System (ADS)

Lin, Xin; Wegner, Berthold; Lee, Kyung Min; Fusella, Michael A.; Zhang, Fengyu; Moudgil, Karttikay; Rand, Barry P.; Barlow, Stephen; Marder, Seth R.; Koch, Norbert; Kahn, Antoine

2017-12-01

Chemical doping of organic semiconductors using molecular dopants plays a key role in the fabrication of efficient organic electronic devices. Although a variety of stable molecular p-dopants have been developed and successfully deployed in devices in the past decade, air-stable molecular n-dopants suitable for materials with low electron affinity are still elusive. Here we demonstrate that photo-activation of a cleavable air-stable dimeric dopant can result in kinetically stable and efficient n-doping of host semiconductors, whose reduction potentials are beyond the thermodynamic reach of the dimer’s effective reducing strength. Electron-transport layers doped in this manner are used to fabricate high-efficiency organic light-emitting diodes. Our strategy thus enables a new paradigm for using air-stable molecular dopants to improve conductivity in, and provide ohmic contacts to, organic semiconductors with very low electron affinity.

Langley Mobile Ozone Lidar: Ozone and Aerosol Atmospheric Profiling for Air Quality Research

NASA Technical Reports Server (NTRS)

De Young, Russell; Carrion, William; Ganoe, Rene; Pliutau, Denis; Gronoff, Guillaume; Berkoff, Timothy; Kuang, Shi

2017-01-01

The Langley mobile ozone lidar (LMOL) is a mobile ground-based ozone lidar system that consists of a pulsed UV laser producing two UV wavelengths of 286 and 291 nm with energy of approximately 0.2 mJ/pulse 0.2 mJ/pulse and repetition rate of 1 kHz. The 527 nm pump laser is also transmitted for aerosol measurements. The receiver consists of a 40 cm parabolic telescope, which is used for both backscattered analog and photon counting. The lidar is very compact and highly mobile. This demonstrates the utility of very small lidar systems eventually leading to space-based ozone lidars. The lidar has been validated by numerous ozonesonde launches and has provided ozone curtain profiles from ground to approximately 4 km in support of air quality field missions.

Vertical thermodynamic structure of the troposphere during the Norwegian young sea ICE expedition (N-ICE2015)

NASA Astrophysics Data System (ADS)

Kayser, Markus; Maturilli, Marion; Graham, Robert M.; Hudson, Stephen R.; Rinke, Annette; Cohen, Lana; Kim, Joo-Hong; Park, Sang-Jong; Moon, Woosok; Granskog, Mats A.

2017-10-01

The Norwegian young sea ICE (N-ICE2015) expedition was designed to investigate the atmosphere-snow-ice-ocean interactions in the young and thin sea ice regime north of Svalbard. Radiosondes were launched twice daily during the expedition from January to June 2015. Here we use these upper air measurements to study the multiple cyclonic events observed during N-ICE2015 with respect to changes in the vertical thermodynamic structure, moisture content, and boundary layer characteristics. We provide statistics of temperature inversion characteristics, static stability, and boundary layer extent. During winter, when radiative cooling is most effective, we find the strongest impact of synoptic cyclones. Changes to thermodynamic characteristics of the boundary layer are associated with transitions between the radiatively "clear" and "opaque" atmospheric states. In spring, radiative fluxes warm the surface leading to lifted temperature inversions and a statically unstable boundary layer. Further, we compare the N-ICE2015 static stability distributions to corresponding profiles from ERA-Interim reanalysis, from the closest land station in the Arctic North Atlantic sector, Ny-Ålesund, and to soundings from the SHEBA expedition (1997/1998). We find similar stability characteristics for N-ICE2015 and SHEBA throughout the troposphere, despite differences in location, sea ice thickness, and snow cover. For Ny-Ålesund, we observe similar characteristics above 1000 m, while the topography and ice-free fjord surrounding Ny-Ålesund generate great differences below. The long-term radiosonde record (1993-2014) from Ny-Ålesund indicates that during the N-ICE2015 spring period, temperatures were close to the climatological mean, while the lowest 3000 m were 1-3°C warmer than the climatology during winter.

The effect of undissolved air on isochoric freezing.

PubMed

Perez, Pedro A; Preciado, Jessica; Carlson, Gary; DeLonzor, Russ; Rubinsky, Boris

2016-06-01

This study evaluates the effect of undissolved air on isochoric freezing of aqueous solutions. Isochoric freezing is concerned with freezing in a constant volume thermodynamic system. A possible advantage of the process is that it substantially reduces the percentage of ice in the system at every subzero temperature, relative to atmospheric freezing. At the pressures generated by isochoric freezing, or high pressure isobaric freezing, air cannot be considered an incompressible substance and the presence of undissolved air substantially increases the amount of ice that forms at any subfreezing temperature. This effect is measurable at air volumes as low as 1%. Therefore eliminating the undissolved air, or any separate gaseous phase, from the system is essential for retaining the properties of isochoric freezing. Copyright © 2016. Published by Elsevier Inc.

Thermodynamics and statistical mechanics. [thermodynamic properties of gases

NASA Technical Reports Server (NTRS)

1976-01-01

The basic thermodynamic properties of gases are reviewed and the relations between them are derived from the first and second laws. The elements of statistical mechanics are then formulated and the partition function is derived. The classical form of the partition function is used to obtain the Maxwell-Boltzmann distribution of kinetic energies in the gas phase and the equipartition of energy theorem is given in its most general form. The thermodynamic properties are all derived as functions of the partition function. Quantum statistics are reviewed briefly and the differences between the Boltzmann distribution function for classical particles and the Fermi-Dirac and Bose-Einstein distributions for quantum particles are discussed.

Evaluation of anthropogenic influence on thermodynamics, gas and aerosol composition of city air

NASA Astrophysics Data System (ADS)

Uzhegova, Nina; Belan, Boris; Antokhin, Pavel; Zhidovkhin, Evgenii; Ivlev, Georgii; Kozlov, Artem; Fofonov, Aleksandr

2010-05-01

In the last 40-50 years there is a global tendency of urbanisation, which is a consequence of most countries' economical development. Concurrently, the issue of environment's ecological state has become critical. Urban air pollution is among the most important ecological problems nowadays. World Health Organization (WHO) points out certain "classical" polluting agents: carbon monoxide (CO), nitric oxide (NO), nitrogen dioxide (NO2), sulphur dioxide (SO2), troposphere ozone (O3) (studied here), as well as lead, carbon dioxide (CO2), aldehydes, soot, benzpyrene and dredges (including dust, haze and smoke) [1]. An evaluation of antropogenic component's weight in the thermodynamical conditions and gas and aerosol composition of a city's atmosphere (by the example of Tomsk) is given in this paper. Tomsk is located at the South of West Siberia and is the administrative center of Tomsk region. The city's area is equal to 294,6 km2. Its population is 512.6 thousands of people. The overall number of registered motor vehicles in the city in 2008 was 131 700. That is, every fourth city inhabitant has a personal car. From 2002 to 2008 the number of motor vehicles in Tomsk has increased by 25 thousands units [2]. This increase consists mostly of passenger cars. There is also a positive trend in fuel consumtion by the city's industries and motor vehicles - from 2004 to 2007 it has increased by 10%. Such a quick rate of transport quantity's increase in the city provides reason to suggest an unfavorable ecological situation in Tomsk. For this study we have used the AKV-2 mobile station designed by the SB RAS Institute of Atmospheric Optics. The station's equipment provides the following measurements [3]: air temperature and humidity; aerosol disperse composition in 15 channels with a particle size range of 0.3-20 µm by use of the Grimm-1.108 aerosol spectrometer; NO, NO2, O3, SO2, CO, CO2 concentration. This paper describes a single experiment conducted in Tomsk. Date of

Data Assimilation of AIRS Water Vapor Profiles: Impact on Precipitation Forecasts for Atmospheric River Cases Affecting the Western of the United States

NASA Technical Reports Server (NTRS)

Blankenship, Clay; Zavodsky, Bradley; Jedlovec, Gary; Wick, Gary; Neiman, Paul

2013-01-01

Atmospheric rivers are transient, narrow regions in the atmosphere responsible for the transport of large amounts of water vapor. These phenomena can have a large impact on precipitation. In particular, they can be responsible for intense rain events on the western coast of North America during the winter season. This paper focuses on attempts to improve forecasts of heavy precipitation events in the Western US due to atmospheric rivers. Profiles of water vapor derived from from Atmospheric Infrared Sounder (AIRS) observations are combined with GFS forecasts by a three-dimensional variational data assimilation in the Gridpoint Statistical Interpolation (GSI). Weather Research and Forecasting (WRF) forecasts initialized from the combined field are compared to forecasts initialized from the GFS forecast only for 3 test cases in the winter of 2011. Results will be presented showing the impact of the AIRS profile data on water vapor and temperature fields, and on the resultant precipitation forecasts.

Operational procedure for computer program for design point characteristics of a compressed-air generator with through-flow combustor for V/STOL applications

NASA Technical Reports Server (NTRS)

Krebs, R. P.

1971-01-01

The computer program described in this report calculates the design-point characteristics of a compressed-air generator for use in V/STOL applications such as systems with a tip-turbine-driven lift fan. The program computes the dimensions and mass, as well as the thermodynamic performance of a model air generator configuration which involves a straight through-flow combustor. Physical and thermodynamic characteristics of the air generator components are also given. The program was written in FORTRAN IV language. Provision has been made so that the program will accept input values in either SI units or U.S. customary units. Each air generator design-point calculation requires about 1.5 seconds of 7094 computer time for execution.

Thermodynamics of statistical inference by cells.

PubMed

Lang, Alex H; Fisher, Charles K; Mora, Thierry; Mehta, Pankaj

2014-10-03

The deep connection between thermodynamics, computation, and information is now well established both theoretically and experimentally. Here, we extend these ideas to show that thermodynamics also places fundamental constraints on statistical estimation and learning. To do so, we investigate the constraints placed by (nonequilibrium) thermodynamics on the ability of biochemical signaling networks to estimate the concentration of an external signal. We show that accuracy is limited by energy consumption, suggesting that there are fundamental thermodynamic constraints on statistical inference.

Microbial diversity arising from thermodynamic constraints

PubMed Central

Großkopf, Tobias; Soyer, Orkun S

2016-01-01

The microbial world displays an immense taxonomic diversity. This diversity is manifested also in a multitude of metabolic pathways that can utilise different substrates and produce different products. Here, we propose that these observations directly link to thermodynamic constraints that inherently arise from the metabolic basis of microbial growth. We show that thermodynamic constraints can enable coexistence of microbes that utilise the same substrate but produce different end products. We find that this thermodynamics-driven emergence of diversity is most relevant for metabolic conversions with low free energy as seen for example under anaerobic conditions, where population dynamics is governed by thermodynamic effects rather than kinetic factors such as substrate uptake rates. These findings provide a general understanding of the microbial diversity based on the first principles of thermodynamics. As such they provide a thermodynamics-based framework for explaining the observed microbial diversity in different natural and synthetic environments. PMID:27035705

A review of the remote sensing of lower-tropospheric thermodynamic profiles and its indispensable role for the understanding and the simulation of water and energy cycles

DOE PAGES

Wulfmeyer, Volker; Hardesty, Mike; Turner, David D.; ...

2015-07-08

A review of remote sensing technology for lower-tropospheric thermodynamic (TD) profiling is presented with focus on high accuracy and high temporal-vertical resolution. The contributions of these instruments to the understanding of the Earth system are assessed with respect to radiative transfer, land-surface-atmosphere feedback, convection initiation, and data assimilation. We demonstrate that for progress in weather and climate research, TD profilers are essential. These observational systems must resolve gradients of humidity and temperature in the stable or unstable atmospheric surface layer close to the ground, in the mixed layer, in the interfacial layer – usually characterized by an inversion – andmore » the lower troposphere. A thorough analysis of the current observing systems is performed revealing significant gaps that must be addressed to fulfill existing needs. We analyze whether current and future passive and active remote sensing systems can close these gaps. A methodological analysis and demonstration of measurement capabilities with respect to bias and precision is executed both for passive and active remote sensing including passive infrared and microwave spectroscopy, the global positioning system as well as water-vapor and temperature Raman lidar and water-vapor differential absorption lidar. Whereas passive remote sensing systems are already mature with respect to operational applications, active remote sensing systems require further engineering to become operational in networks. However, active remote sensing systems provide a smaller bias as well as higher temporal and vertical resolutions. For a suitable mesoscale network design, TD profiler system developments should be intensified and dedicated observing system simulation experiments should be performed.« less

A review of the remote sensing of lower-tropospheric thermodynamic profiles and its indispensable role for the understanding and the simulation of water and energy cycles

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

Wulfmeyer, Volker; Hardesty, Mike; Turner, David D.

A review of remote sensing technology for lower-tropospheric thermodynamic (TD) profiling is presented with focus on high accuracy and high temporal-vertical resolution. The contributions of these instruments to the understanding of the Earth system are assessed with respect to radiative transfer, land-surface-atmosphere feedback, convection initiation, and data assimilation. We demonstrate that for progress in weather and climate research, TD profilers are essential. These observational systems must resolve gradients of humidity and temperature in the stable or unstable atmospheric surface layer close to the ground, in the mixed layer, in the interfacial layer – usually characterized by an inversion – andmore » the lower troposphere. A thorough analysis of the current observing systems is performed revealing significant gaps that must be addressed to fulfill existing needs. We analyze whether current and future passive and active remote sensing systems can close these gaps. A methodological analysis and demonstration of measurement capabilities with respect to bias and precision is executed both for passive and active remote sensing including passive infrared and microwave spectroscopy, the global positioning system as well as water-vapor and temperature Raman lidar and water-vapor differential absorption lidar. Whereas passive remote sensing systems are already mature with respect to operational applications, active remote sensing systems require further engineering to become operational in networks. However, active remote sensing systems provide a smaller bias as well as higher temporal and vertical resolutions. For a suitable mesoscale network design, TD profiler system developments should be intensified and dedicated observing system simulation experiments should be performed.« less

Air Force Handbook. 109th Congress

DTIC Science & Technology

2009-01-01

FY06 Combat Survivor Evader Locator (CSEL) Acquisition Status Capabilities/Profile Functions /Performance Parameters 38 • Air Force’s primary source for...Broadcast Service (GBS) Capabilities/Profile Acquisition Status Functions /Performance Parameters • Purchase Requirements (Phase 2): • 3 primary ...Operations (AF CONOPS) that support the CSAF and joint vision of combat operations. • AF CONOPS describe key Air Force mission and/or functional areas

The inner core thermodynamics of the tropical cyclone boundary layer

NASA Astrophysics Data System (ADS)

Williams, Gabriel J.

2016-10-01

Although considerable progress has been made in understanding the inner-core dynamics of the tropical cyclone boundary layer (TCBL), our knowledge of the inner-core thermodynamics of the TCBL remains limited. In this study, the inner-core budgets of potential temperature (θ), specific humidity ( q), and reversible equivalent potential temperature (θ _e) are examined using a high-resolution multilevel boundary layer model. The potential temperature budgets show that the heat energy is dominated by latent heat release in the eyewall, evaporative cooling along the outer edge of the eyewall, and upward surface fluxes of sensible and latent heat from the underlying warm ocean. It is shown that the vertical θ advection overcompensates the sum of radial advective warming from the boundary layer outflow jet and latent heating for the development of cooling in the eyewall within the TCBL. The moisture budgets show the dominant upward transport of moisture in the eyewall updrafts, partly by the boundary-layer outflow jet from the bottom eye region, so that the eyewall remains nearly saturated. The θ _e budgets reveal that the TCBL is maintained thermodynamically by the upward surface flux of higher-θ _e air from the underlying warm ocean, the radial transport of low-θ _e air from the outer regions of the TCBL, and the dry adiabatic cooling associated by eyewall updrafts. These results underscore the significance of vertical motion and the location of the boundary layer outflow jet in maintaining the inner core thermal structure of the TCBL.

Thermodynamic assessment of the rhodium-ruthenium-oxygen (Rh-Ru-O) system

NASA Astrophysics Data System (ADS)

Gossé, S.; Bordier, S.; Guéneau, C.; Brackx, E.; Domenger, R.; Rogez, J.

2018-03-01

Ruthenium (Ru) and rhodium (Rh) are abundant platinum-group metals formed during burn-up of nuclear fuels. Under normal operating conditions, Rh and Ru accumulate and predominantly form metallic precipitates with other fission products like Mo, Pd and Tc. In the framework of vitrification of high-level nuclear waste, these fission products are poorly soluble in molten glasses. They precipitate as metallic particles and oxide phases. Moreover, these Ru and Rh rich phases strongly depend on temperature and the oxygen fugacity of the glass melt. In case of severe accidental conditions with air ingress, oxidation of the Ru and Rh is possible. At low temperatures (T < 1422 K for rhodium sesquioxide and T < 1815 K for ruthenium dioxide), the formed oxides are relatively stable. On the other hand, at high temperatures (T > 1422 K for rhodium sesquioxide and T > 1815 K for ruthenium dioxide), they may decompose into (Rh)-FCC or (Ru)-HCP metallic phases and radiotoxic volatile gaseous species. A thermodynamic assessment of the Rh-Ru-O system will enable the prediction of: (1) the metallic and oxide phases that form during the vitrification of high-level nuclear wastes and (2) the release of volatile gaseous species during a severe accident. The Calphad method developed herein employs a thermodynamic approach in the investigation of the thermochemistry of rhodium and ruthenium at high temperatures. Current literature on the thermodynamic properties and phase diagram data enables preliminary thermodynamic assessments of the Rh-O and Ru-O systems. Additionally, select compositions in the ternary Rh-Ru-O system underwent experimental tests to complement data found in literature and to establish the phase equilibria in the ternary system.

Sponge divers of the Aegean and medical consequences of risky compressed-air dive profiles.

PubMed

Toklu, Akin Savas; Cimsit, Maide

2009-04-01

Historically, Turkey once had a substantial number of professional sponge divers, a population known for a relatively high incidence of diving-related conditions such as decompression sickness (DCS) and dysbaric osteonecrosis (DON). Sponge diving ended in the mid-1980s when nearly all of the sponges in the Aegean and Mediterranean Seas contracted a bacterial disease and the occupation became unprofitable. We reviewed the records of Turkish sponge divers for information on their level of knowledge, diving equipment, dive profiles, and occupational health problems. Information was collected by: 1) interviewing former sponge divers near Bodrum, where most of them had settled; 2) reviewing the relevant literature; and 3) examining the medical records of sponge divers who underwent recompression treatment. These divers used three types of surface-supplied equipment, including hard helmets, Fernez apparatus, and hookahs; the latter were preferred because they allowed divers the greatest freedom of movement while harvesting sponges underwater. These divers used profiles that we now know involved a high risk for DCS and DON. We were able to access the records of 58 divers who had received recompression treatment. All of the cases involved severe DCS and delays from dive to recompression that averaged 72 h. Complete resolution of symptoms occurred in only 11 cases (19%). Thus, we were able to document the several factors that contributed to the risks in this occupational group, including unsafe dive profiles, resistance to seeking treatment, long delays before recompression, and the fact that recompression treatment used air rather than oxygen.

Thermodynamics--A Practical Subject.

ERIC Educational Resources Information Center

Jones, Hugh G.

1984-01-01

Provides a simplified, synoptic overview of the area of thermodynamics, enumerating and explaining the four basic laws, and introducing the mathematics involved in a stepwise fashion. Discusses such basic tools of thermodynamics as enthalpy, entropy, Helmholtz free energy, and Gibbs free energy, and their uses in problem solving. (JM)

Thermodynamics of weight loss diets.

PubMed

Fine, Eugene J; Feinman, Richard D

2004-12-08

BACKGROUND: It is commonly held that "a calorie is a calorie", i.e. that diets of equal caloric content will result in identical weight change independent of macronutrient composition, and appeal is frequently made to the laws of thermodynamics. We have previously shown that thermodynamics does not support such a view and that diets of different macronutrient content may be expected to induce different changes in body mass. Low carbohydrate diets in particular have claimed a "metabolic advantage" meaning more weight loss than in isocaloric diets of higher carbohydrate content. In this review, for pedagogic clarity, we reframe the theoretical discussion to directly link thermodynamic inefficiency to weight change. The problem in outline: Is metabolic advantage theoretically possible? If so, what biochemical mechanisms might plausibly explain it? Finally, what experimental evidence exists to determine whether it does or does not occur? RESULTS: Reduced thermodynamic efficiency will result in increased weight loss. The laws of thermodynamics are silent on the existence of variable thermodynamic efficiency in metabolic processes. Therefore such variability is permitted and can be related to differences in weight lost. The existence of variable efficiency and metabolic advantage is therefore an empiric question rather than a theoretical one, confirmed by many experimental isocaloric studies, pending a properly performed meta-analysis. Mechanisms are as yet unknown, but plausible mechanisms at the metabolic level are proposed. CONCLUSIONS: Variable thermodynamic efficiency due to dietary manipulation is permitted by physical laws, is supported by much experimental data, and may be reasonably explained by plausible mechanisms.

Thermodynamics of weight loss diets

PubMed Central

Fine, Eugene J; Feinman, Richard D

2004-01-01

Background It is commonly held that "a calorie is a calorie", i.e. that diets of equal caloric content will result in identical weight change independent of macronutrient composition, and appeal is frequently made to the laws of thermodynamics. We have previously shown that thermodynamics does not support such a view and that diets of different macronutrient content may be expected to induce different changes in body mass. Low carbohydrate diets in particular have claimed a "metabolic advantage" meaning more weight loss than in isocaloric diets of higher carbohydrate content. In this review, for pedagogic clarity, we reframe the theoretical discussion to directly link thermodynamic inefficiency to weight change. The problem in outline: Is metabolic advantage theoretically possible? If so, what biochemical mechanisms might plausibly explain it? Finally, what experimental evidence exists to determine whether it does or does not occur? Results Reduced thermodynamic efficiency will result in increased weight loss. The laws of thermodynamics are silent on the existence of variable thermodynamic efficiency in metabolic processes. Therefore such variability is permitted and can be related to differences in weight lost. The existence of variable efficiency and metabolic advantage is therefore an empiric question rather than a theoretical one, confirmed by many experimental isocaloric studies, pending a properly performed meta-analysis. Mechanisms are as yet unknown, but plausible mechanisms at the metabolic level are proposed. Conclusions Variable thermodynamic efficiency due to dietary manipulation is permitted by physical laws, is supported by much experimental data, and may be reasonably explained by plausible mechanisms. PMID:15588283

Detailed thermodynamic analyses of high-speed compressible turbulence

NASA Astrophysics Data System (ADS)

Towery, Colin; Darragh, Ryan; Poludnenko, Alexei; Hamlington, Peter

2016-11-01

Interactions between high-speed turbulence and flames (or chemical reactions) are important in the dynamics and description of many different combustion phenomena, including autoignition and deflagration-to-detonation transition. The probability of these phenomena to occur depends on the magnitude and spectral content of turbulence fluctuations, which can impact a wide range of science and engineering problems, from the hypersonic scramjet engine to the onset of Type Ia supernovae. In this talk, we present results from new direct numerical simulations (DNS) of homogeneous isotropic turbulence with turbulence Mach numbers ranging from 0 . 05 to 1 . 0 and Taylor-scale Reynolds numbers as high as 700. A set of detailed analyses are described in both Eulerian and Lagrangian reference frames in order to assess coherent (structural) and incoherent (stochastic) thermodynamic flow features. These analyses provide direct insights into the thermodynamics of strongly compressible turbulence. Furthermore, presented results provide a non-reacting baseline for future studies of turbulence-chemistry interactions in DNS with complex chemistry mechanisms. This work was supported by the Air Force Office of Scientific Research (AFOSR) under Award No. FA9550-14-1-0273, and the Department of Defense (DoD) High Performance Computing Modernization Program (HPCMP) under a Frontier project award.

Performance Study of Salt Cavern Air Storage Based Non-Supplementary Fired Compressed Air Energy Storage System

NASA Astrophysics Data System (ADS)

Chen, Xiaotao; Song, Jie; Liang, Lixiao; Si, Yang; Wang, Le; Xue, Xiaodai

2017-10-01

Large-scale energy storage system (ESS) plays an important role in the planning and operation of smart grid and energy internet. Compressed air energy storage (CAES) is one of promising large-scale energy storage techniques. However, the high cost of the storage of compressed air and the low capacity remain to be solved. This paper proposes a novel non-supplementary fired compressed air energy storage system (NSF-CAES) based on salt cavern air storage to address the issues of air storage and the efficiency of CAES. Operating mechanisms of the proposed NSF-CAES are analysed based on thermodynamics principle. Key factors which has impact on the system storage efficiency are thoroughly explored. The energy storage efficiency of the proposed NSF-CAES system can be improved by reducing the maximum working pressure of the salt cavern and improving inlet air pressure of the turbine. Simulation results show that the electric-to-electric conversion efficiency of the proposed NSF-CAES can reach 63.29% with a maximum salt cavern working pressure of 9.5 MPa and 9 MPa inlet air pressure of the turbine, which is higher than the current commercial CAES plants.

Motor and Executive Function Profiles in Adult Residents ...

EPA Pesticide Factsheets

Objective: Exposure to elevated levels of manganese (Mn) may be associated with tremor, motor and executive dysfunction (EF), clinically resembling Parkinson’s disease (PD). PD research has identified tremor-dominant (TD) and non-tremor dominant (NTD) profiles. NTD PD presents with bradykinesia, rigidity, and postural sway, and is associated with EF impairment with lower quality of life (QoL). Presence and impact of tremor, motor, and executive dysfunction profiles on health-related QoL and life satisfaction were examined in air-Mn exposed residents of two Ohio, USA towns. Participants and Methods: From two Ohio towns exposed to air-Mn, 186 residents (76 males) aged 30-75 years were administered measures of EF (Animal Naming, ACT, Rey-O Copy, Stroop Color-Word, and Trails B), motor and tremor symptoms (UPDRS), QoL (BRFSS), life satisfaction (SWLS), and positive symptom distress (SCL-90-R). Air-Mn exposure in the two towns was modeled with 10 years of air-monitoring data. Cluster analyses detected the presence of symptom profiles by grouping together residents with similar scores on these measures. Results: Overall, mean air-Mn concentration for the two towns was 0.53 µg/m3 (SD=.92). Two-step cluster analyses identified TD and NTD symptom profiles. Residents in the NTD group lacked EF impairment; EF impairment represented a separate profile. An unimpaired group also emerged. The NTD and EF impairment groups were qualitatively similar, with relatively lo

Thermodynamically consistent model calibration in chemical kinetics

PubMed Central

2011-01-01

Background The dynamics of biochemical reaction systems are constrained by the fundamental laws of thermodynamics, which impose well-defined relationships among the reaction rate constants characterizing these systems. Constructing biochemical reaction systems from experimental observations often leads to parameter values that do not satisfy the necessary thermodynamic constraints. This can result in models that are not physically realizable and may lead to inaccurate, or even erroneous, descriptions of cellular function. Results We introduce a thermodynamically consistent model calibration (TCMC) method that can be effectively used to provide thermodynamically feasible values for the parameters of an open biochemical reaction system. The proposed method formulates the model calibration problem as a constrained optimization problem that takes thermodynamic constraints (and, if desired, additional non-thermodynamic constraints) into account. By calculating thermodynamically feasible values for the kinetic parameters of a well-known model of the EGF/ERK signaling cascade, we demonstrate the qualitative and quantitative significance of imposing thermodynamic constraints on these parameters and the effectiveness of our method for accomplishing this important task. MATLAB software, using the Systems Biology Toolbox 2.1, can be accessed from http://www.cis.jhu.edu/~goutsias/CSS lab/software.html. An SBML file containing the thermodynamically feasible EGF/ERK signaling cascade model can be found in the BioModels database. Conclusions TCMC is a simple and flexible method for obtaining physically plausible values for the kinetic parameters of open biochemical reaction systems. It can be effectively used to recalculate a thermodynamically consistent set of parameter values for existing thermodynamically infeasible biochemical reaction models of cellular function as well as to estimate thermodynamically feasible values for the parameters of new models. Furthermore, TCMC can

The potential of LIRIC to validate the vertical profiles of the aerosol mass concentration estimated by an air quality model

NASA Astrophysics Data System (ADS)

Siomos, Nikolaos; Filoglou, Maria; Poupkou, Anastasia; Liora, Natalia; Dimopoulos, Spyros; Melas, Dimitris; Chaikovsky, Anatoli; Balis, Dimitris

2015-04-01

Vertical profiles of the aerosol mass concentration derived by a retrieval algorithm that uses combined sunphotometer and LIDAR data (LIRIC) were used in order to validate the mass concentration profiles estimated by the air quality model CAMx. LIDAR and CIMEL measurements of the Laboratory of Atmospheric Physics of the Aristotle University of Thessaloniki were used for this validation.The aerosol mass concentration profiles of the fine and coarse mode derived by CAMx were compared with the respective profiles derived by the retrieval algorithm. For the coarse mode particles, forecasts of the Saharan dust transportation model BSC-DREAM8bV2 were also taken into account. Each of the retrieval algorithm's profiles were matched to the models' profile with the best agreement within a time window of four hours before and after the central measurement. OPAC, a software than can provide optical properties of aerosol mixtures, was also employed in order to calculate the angstrom exponent and the lidar ratio values for 355nm and 532nm for each of the model's profiles aiming in a comparison with the angstrom exponent and the lidar ratio values derived by the retrieval algorithm for each measurement. The comparisons between the fine mode aerosol concentration profiles resulted in a good agreement between CAMx and the retrieval algorithm, with the vertical mean bias error never exceeding 7 μgr/m3. Concerning the aerosol coarse mode concentration profiles both CAMx and BSC-DREAM8bV2 values are severely underestimated, although, in cases of Saharan dust transportation events there is an agreement between the profiles of BSC-DREAM8bV2 model and the retrieval algorithm.

Assessing the Impacts of Atmospheric Conditions under Climate Change on Air Quality Profile over Hong Kong

NASA Astrophysics Data System (ADS)

Hei Tong, Cheuk

2017-04-01

Small particulates can cause long term impairment to human health as they can penetrate deep and deposit on the wall of the respiratory system. Under the projected climate change as reported by literature, atmospheric stability, which has strong effects on vertical mixing of air pollutants and thus air quality Hong Kong, is also varying from near to far future. In addition to domestic emission, Hong Kong receives also significant concentration of cross-boundary particulates that their natures and movements are correlated with atmospheric condition. This study aims to study the relation of atmospheric conditions with air quality over Hong Kong. Past meteorological data is based on Modern Era Retrospective Analysis for Research and Applications (MERRA) reanalysis data. Radiosonde data provided from HKO are also adopted in testing and validating the data. Future meteorological data is simulated by the Weather Research and Forecasting Model (WRF), which dynamically downscaled the past and future climate under the A1B scenario simulated by ECHAM5/MPIOM. Air quality data is collected on one hand from the ground station data provided by Environment Protection Department, with selected stations revealing local emission and trans-boundary emission respectively. On the other hand, an Atmospheric Light Detection and Ranging (LiDAR), which operates using the radar principle to detect Rayleigh and Mie scattering from atmospheric gas and aerosols, has also been adopted to measure vertical aerosol profile, which has been observed tightly related to the high level meteorology. Data from scattered signals are collected, averaged or some episode selected for characteristic comparison with the atmospheric stability indices and other meteorological factors. The relation between atmospheric conditions and air quality is observed by statistical analysis, and statistical models are built based on the stability indices to project the changes in sulphur dioxide, ozone and particulate

Transitions of cloud-topped marine boundary layers characterized by AIRS, MODIS, and a large eddy simulation model

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

Yue, Qing; Kahn, Brian; Xiao, Heng

2013-08-16

Cloud top entrainment instability (CTEI) is a hypothesized positive feedback between entrainment mixing and evaporative cooling near the cloud top. Previous theoretical and numerical modeling studies have shown that the persistence or breakup of marine boundary layer (MBL) clouds may be sensitive to the CTEI parameter. Collocated thermodynamic profile and cloud observations obtained from the Atmospheric Infrared Sounder (AIRS) and Moderate Resolution Imaging Spectroradiometer (MODIS) instruments are used to quantify the relationship between the CTEI parameter and the cloud-topped MBL transition from stratocumulus to trade cumulus in the northeastern Pacific Ocean. Results derived from AIRS and MODIS are compared withmore » numerical results from the UCLA large eddy simulation (LES) model for both well-mixed and decoupled MBLs. The satellite and model results both demonstrate a clear correlation between the CTEI parameter and MBL cloud fraction. Despite fundamental differences between LES steady state results and the instantaneous snapshot type of observations from satellites, significant correlations for both the instantaneous pixel-scale observations and the long-term averaged spatial patterns between the CTEI parameter and MBL cloud fraction are found from the satellite observations and are consistent with LES results. This suggests the potential of using AIRS and MODIS to quantify global and temporal characteristics of the cloud-topped MBL transition.« less

ACCURATE: Greenhouse Gas Profiles Retrieval from Combined IR-Laser and Microwave Occultation Measurements

NASA Astrophysics Data System (ADS)

Proschek, Veronika; Kirchengast, Gottfried; Schweitzer, Susanne; Fritzer, Johannes

2010-05-01

The new climate satellite concept ACCURATE (Atmospheric Climate and Chemistry in the UTLS Region And climate Trends Explorer) enables simultaneous measurement of profiles of greenhouse gases, isotopes, wind and thermodynamic variables from Low Earth Orbit (LEO) satellites. The measurement principle applied is a combination of the novel LEO-LEO infrared laser occultation (LIO) technique and the already better studied LEO-LEO microwave occultation (LMO) technique. Resulting occultation events are evenly distributed around the world, have high vertical resolution and accuracy and are stable over long time periods. The LIO uses near-monochromatic signals in the short-wave infrared range (~2-2.5 μm for ACCURATE). These signals are absorbed by various trace species in the Earth's atmosphere. Profiles of the concentration of the absorbing species can be derived from signal transmission measurements. Accurately known temperature, pressure and humidity profiles derived from simultaneously measured LMO signals are essential pre-information for the retrieval of the trace species profiles. These LMO signals lie in the microwave band region from 17-23 GHz and, optionally, 178-195 GHz. The current ACCURATE mission design is arranged for the measurement of six greenhouse gases (GHG) (H2O, CO2, CH4, N2O, O3, CO) and four isotopes (13CO2, C18OO, HDO, H218O), with focus on the upper troposphere/lower stratosphere region (UTLS, 5-35 km). Wind speed in line-of-sight can be derived from a line-symmetric transmission difference which is caused by wind-induced Doppler shift. By-products are information on cloud layering, aerosol extinction, and scintillation strength. We introduce the methodology to retrieve GHG profiles from quasi-realistic forward-simulated intensities of LIO signals and thermodynamic profiles retrieved in a preceding step from LMO signals. Key of the retrieval methodology is the differencing of two LIO transmission signals, one being GHG sensitive on a target

Combined Molecular Dynamics Simulation-Molecular-Thermodynamic Theory Framework for Predicting Surface Tensions.

PubMed

Sresht, Vishnu; Lewandowski, Eric P; Blankschtein, Daniel; Jusufi, Arben

2017-08-22

A molecular modeling approach is presented with a focus on quantitative predictions of the surface tension of aqueous surfactant solutions. The approach combines classical Molecular Dynamics (MD) simulations with a molecular-thermodynamic theory (MTT) [ Y. J. Nikas, S. Puvvada, D. Blankschtein, Langmuir 1992 , 8 , 2680 ]. The MD component is used to calculate thermodynamic and molecular parameters that are needed in the MTT model to determine the surface tension isotherm. The MD/MTT approach provides the important link between the surfactant bulk concentration, the experimental control parameter, and the surfactant surface concentration, the MD control parameter. We demonstrate the capability of the MD/MTT modeling approach on nonionic alkyl polyethylene glycol surfactants at the air-water interface and observe reasonable agreement of the predicted surface tensions and the experimental surface tension data over a wide range of surfactant concentrations below the critical micelle concentration. Our modeling approach can be extended to ionic surfactants and their mixtures with both ionic and nonionic surfactants at liquid-liquid interfaces.

THERMODYNAMICS OF THE COMA CLUSTER OUTSKIRTS

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

Simionescu, A.; Werner, N.; Urban, O.

2013-09-20

We present results from a large mosaic of Suzaku observations of the Coma Cluster, the nearest and X-ray brightest hot ({approx}8 keV), dynamically active, non-cool core system, focusing on the thermodynamic properties of the intracluster medium on large scales. For azimuths not aligned with an infalling subcluster toward the southwest, our measured temperature and X-ray brightness profiles exhibit broadly consistent radial trends, with the temperature decreasing from about 8.5 keV at the cluster center to about 2 keV at a radius of 2 Mpc, which is the edge of our detection limit. The southwest merger significantly boosts the surface brightness,more » allowing us to detect X-ray emission out to {approx}2.2 Mpc along this direction. Apart from the southwestern infalling subcluster, the surface brightness profiles show multiple edges around radii of 30-40 arcmin. The azimuthally averaged temperature profile, as well as the deprojected density and pressure profiles, all show a sharp drop consistent with an outwardly-propagating shock front located at 40 arcmin, corresponding to the outermost edge of the giant radio halo observed at 352 MHz with the Westerbork Synthesis Radio Telescope. The shock front may be powering this radio emission. A clear entropy excess inside of r{sub 500} reflects the violent merging events linked with these morphological features. Beyond r{sub 500}, the entropy profiles of the Coma Cluster along the relatively relaxed directions are consistent with the power-law behavior expected from simple models of gravitational large-scale structure formation. The pressure is also in agreement at these radii with the expected values measured from Sunyaev-Zel'dovich data from the Planck satellite. However, due to the large uncertainties associated with the Coma Cluster measurements, we cannot yet exclude an entropy flattening in this system consistent with that seen in more relaxed cool core clusters.« less

Vertical Profiling of Air Pollution at RAPCD

NASA Technical Reports Server (NTRS)

Newchurch, Michael J.; Fuller, Kirk A.; Bowdle, David A.; Johnson, Steven; Knupp, Kevin; Gillani, Noor; Biazar, Arastoo; Mcnider, Richard T.; Burris, John

2004-01-01

The interaction between local and regional pollution levels occurs at the interface of the Planetary Boundary Layer and the Free Troposphere. Measuring the vertical distribution of ozone, aerosols, and winds with high temporal and vertical resolution is essential to diagnose the nature of this interchange and ultimately for accurately forecasting ozone and aerosol pollution levels. The Regional Atmospheric Profiling Center for Discovery, RAPCD, was built and instrumented to address this critical issue. The ozone W DIAL lidar, Nd:YAG aerosol lidar, and 2.1 micron Doppler wind lidar, along with balloon- borne ECC ozonesondes form the core of the W C D instrumentation for addressing this problem. Instrumentation in the associated Mobile Integrated Profiling (MIPS) laboratory includes 91 5Mhz profiler, sodar, and ceilometer. The collocated Applied particle Optics and Radiometry (ApOR) laboratory hosts an FTIR along with MOUDI and optical particle counters. With MODELS-3 analysis by colleagues in the National Space Science and Technology Center on the UAH campus and the co- located National Weather Service Forecasting Office in Huntsville, AL we are developing a unique facility for advancing the state of the science of pollution forecasting.

Thermodynamic Theory of Spherically Trapped Coulomb Clusters

NASA Astrophysics Data System (ADS)

Wrighton, Jeffrey; Dufty, James; Bonitz, Michael; K"{A}Hlert, Hanno

2009-11-01

The radial density profile of a finite number of identical charged particles confined in a harmonic trap is computed over a wide ranges of temperatures (Coulomb coupling) and particle numbers. At low temperatures these systems form a Coulomb crystal with spherical shell structure which has been observed in ultracold trapped ions and in dusty plasmas. The shell structure is readily reproduced in simulations. However, analytical theories which used a mean field approachfootnotetext[1]C. Henning et al., Phys. Rev. E 74, 056403 (2006) or a local density approximationfootnotetext[2]C. Henning et al., Phys. Rev. E 76, 036404 (2007) have, so far, only been able to reproduce the average density profile. Here we present an approach to Coulomb correlations based on the hypernetted chain approximation with additional bridge diagrams. It is demonstrated that this model reproduces the correct shell structure within a few percent and provides the basis for a thermodynamic theory of Coulomb clusters in the strongly coupled fluid state.footnotetext[3]J. Wrighton, J.W. Dufty, H. K"ahlert and M. Bonitz, J. Phys. A 42, 214052 (2009) and Phys. Rev. E (2009) (to be submitted)

The Potential of The Synergy of Sunphotometer and Lidar Data to Validate Vertical Profiles of The Aerosol Mass Concentration Estimated by An Air Quality Model

NASA Astrophysics Data System (ADS)

Siomos, N.; Filioglou, M.; Poupkou, A.; Liora, N.; Dimopoulos, S.; Melas, D.; Chaikovsky, A.; Balis, D. S.

2016-06-01

Vertical profiles of the aerosol mass concentration derived by the Lidar/Radiometer Inversion Code (LIRIC), that uses combined sunphotometer and lidar data, were used in order to validate the aerosol mass concentration profiles estimated by the air quality model CAMx. Lidar and CIMEL measurements performed at the Laboratory of Atmospheric Physics of the Aristotle University of Thessaloniki, Greece (40.5N, 22.9E) from the period 2013-2014 were used in this study.

Nitrogen Separation and Liquefaction Apparatus for Medical Applications and Its Thermodynamic Optimization

NASA Astrophysics Data System (ADS)

Chorowski, M.; Piotrowska, A.; Polinski, J.

2006-04-01

Low temperature medicine is becoming a widely appreciated method in surgery, dermatology, gynecology and rheumatology. The cryomedical equipment is usually supplied with liquid nitrogen LN2 stored in a dewar and transferred to a tip, where it is evaporated providing a cooling power. LN2 in quantities sufficient for cryo-surgical and cryo-therapeutical applications can be first separated from air and then liquefied using a system combining polymer membrane gas separation technology and a Joule-Thomson closed-cycle refrigerator filled with a nitrogen-hydrocarbons gas mixture. Nitrogen is separated from the compressed air, then liquefied and throttled to atmospheric pressure. The paper analyzes the demanded cooling capacity of the system resulting from cryomedical treatment requirements. Thermal design and flow scheme of the apparatus are given. The system is thermodynamically optimized.

Available Energy via Nonequilibrium Thermodynamics.

ERIC Educational Resources Information Center

Woollett, E. L.

1979-01-01

Presents basic relations involving the concept of available energy that are derived from the local equations of nonequilibrium thermodynamics. The equations and applications of the local thermodynamic equilibrium LTD model are also presented. (HM)

Thermodynamic origin of nonimaging optics

NASA Astrophysics Data System (ADS)

Jiang, Lun; Winston, Roland

2016-10-01

Nonimaging optics is the theory of thermodynamically efficient optics and as such depends more on thermodynamics than on optics. Hence, in this paper, a condition for the "best" design is proposed based on purely thermodynamic arguments, which we believe has profound consequences for the designs of thermal and even photovoltaic systems. This way of looking at the problem of efficient concentration depends on probabilities, the ingredients of entropy and information theory, while "optics" in the conventional sense recedes into the background. Much of the paper is pedagogical and retrospective. Some of the development of flowline designs will be introduced at the end and the connection between the thermodynamics and flowline design will be graphically presented. We will conclude with some speculative directions of where the ideas might lead.

Thermodynamic efficiency of solar concentrators.

PubMed

Shatz, Narkis; Bortz, John; Winston, Roland

2010-04-26

The optical thermodynamic efficiency is a comprehensive metric that takes into account all loss mechanisms associated with transferring flux from the source to the target phase space, which may include losses due to inadequate design, non-ideal materials, fabrication errors, and less than maximal concentration. We discuss consequences of Fermat's principle of geometrical optics and review étendue dilution and optical loss mechanisms associated with nonimaging concentrators. We develop an expression for the optical thermodynamic efficiency which combines the first and second laws of thermodynamics. As such, this metric is a gold standard for evaluating the performance of nonimaging concentrators. We provide examples illustrating the use of this new metric for concentrating photovoltaic systems for solar power applications, and in particular show how skewness mismatch limits the attainable optical thermodynamic efficiency.

Role of air-water interfaces in colloid transport in porous media: A review

NASA Astrophysics Data System (ADS)

Flury, Markus; Aramrak, Surachet

2017-07-01

Air-water interfaces play an important role in unsaturated porous media, giving rise to phenomena like capillarity. Less recognized and understood are interactions of colloids with the air-water interface in porous media and the implications of these interactions for fate and transport of colloids. In this review, we discuss how colloids, both suspended in the aqueous phase and attached at pore walls, interact with air-water interfaces in porous media. We discuss the theory of colloid/air-water interface interactions, based on the different forces acting between colloids and the air-water interface (DLVO, hydrophobic, capillary forces) and based on thermodynamic considerations (Gibbs free energy). Subsurface colloids are usually electrostatically repelled from the air-water interface because most subsurface colloids and the air-water are negatively charged. However, hydrophobic interactions can lead to attraction to the air-water interface. When colloids are at the air-water interface, capillary forces are usually dominant over other forces. Moving air-water interfaces are effective in mobilizing and transporting colloids from surfaces. Thermodynamic considerations show that, for a colloid, the air-water interface is the favored state as compared with the suspension phase, except for hydrophilic colloids in the nanometer size range. Experimental evidence indicates that colloid mobilization in soils often occurs through macropores, although matrix transport is also prevalent in absence of macropores. Moving air-water interfaces, e.g., occurring during infiltration, imbibition, or drainage, have been shown to scour colloids from surfaces and translocate colloids. Colloids can also be pinned to surfaces by thin water films and capillary menisci at the air-water-solid interface line, causing colloid retention and immobilization. Air-water interfaces thus can both mobilize or immobilize colloids in porous media, depending on hydrodynamics and colloid and surface

Efficient Construction of Free Energy Profiles of Breathing Metal–Organic Frameworks Using Advanced Molecular Dynamics Simulations

PubMed Central

2017-01-01

In order to reliably predict and understand the breathing behavior of highly flexible metal–organic frameworks from thermodynamic considerations, an accurate estimation of the free energy difference between their different metastable states is a prerequisite. Herein, a variety of free energy estimation methods are thoroughly tested for their ability to construct the free energy profile as a function of the unit cell volume of MIL-53(Al). The methods comprise free energy perturbation, thermodynamic integration, umbrella sampling, metadynamics, and variationally enhanced sampling. A series of molecular dynamics simulations have been performed in the frame of each of the five methods to describe structural transformations in flexible materials with the volume as the collective variable, which offers a unique opportunity to assess their computational efficiency. Subsequently, the most efficient method, umbrella sampling, is used to construct an accurate free energy profile at different temperatures for MIL-53(Al) from first principles at the PBE+D3(BJ) level of theory. This study yields insight into the importance of the different aspects such as entropy contributions and anharmonic contributions on the resulting free energy profile. As such, this thorough study provides unparalleled insight in the thermodynamics of the large structural deformations of flexible materials. PMID:29131647

Efficient Construction of Free Energy Profiles of Breathing Metal-Organic Frameworks Using Advanced Molecular Dynamics Simulations.

PubMed

Demuynck, Ruben; Rogge, Sven M J; Vanduyfhuys, Louis; Wieme, Jelle; Waroquier, Michel; Van Speybroeck, Veronique

2017-12-12

In order to reliably predict and understand the breathing behavior of highly flexible metal-organic frameworks from thermodynamic considerations, an accurate estimation of the free energy difference between their different metastable states is a prerequisite. Herein, a variety of free energy estimation methods are thoroughly tested for their ability to construct the free energy profile as a function of the unit cell volume of MIL-53(Al). The methods comprise free energy perturbation, thermodynamic integration, umbrella sampling, metadynamics, and variationally enhanced sampling. A series of molecular dynamics simulations have been performed in the frame of each of the five methods to describe structural transformations in flexible materials with the volume as the collective variable, which offers a unique opportunity to assess their computational efficiency. Subsequently, the most efficient method, umbrella sampling, is used to construct an accurate free energy profile at different temperatures for MIL-53(Al) from first principles at the PBE+D3(BJ) level of theory. This study yields insight into the importance of the different aspects such as entropy contributions and anharmonic contributions on the resulting free energy profile. As such, this thorough study provides unparalleled insight in the thermodynamics of the large structural deformations of flexible materials.

A Global Survey of Cloud Thermodynamic Phase using High Spatial Resolution VSWIR Spectroscopy, 2005-2015

NASA Astrophysics Data System (ADS)

Thompson, D. R.; Kahn, B. H.; Green, R. O.; Chien, S.; Middleton, E.; Tran, D. Q.

2017-12-01

Clouds' variable ice and liquid content significantly influences their optical properties, evolution, and radiative forcing potential (Tan and Storelvmo, J. Atmos. Sci, 73, 2016). However, most remote measurements of thermodynamic phase have spatial resolutions of 1 km or more and are insensitive to mixed phases. This under-constrains important processes, such as spatial partitioning within mixed phase clouds, that carry outsize radiative forcing impacts. These uncertainties could shift Global Climate Model (GCM) predictions of future warming by over 1 degree Celsius (Tan et al., Science 352:6282, 2016). Imaging spectroscopy of reflected solar energy from the 1.4 - 1.8 μm shortwave infrared (SWIR) spectral range can address this observational gap. These observations can distinguish ice and water absorption, providing a robust and sensitive measurement of cloud top thermodynamic phase including mixed phases. Imaging spectrometers can resolve variations at scales of tens to hundreds of meters (Thompson et al., JGR-Atmospheres 121, 2016). We report the first such global high spatial resolution (30 m) survey, based on data from 2005-2015 acquired by the Hyperion imaging spectrometer onboard NASA's EO-1 spacecraft (Pearlman et al., Proc. SPIE 4135, 2001). Estimated seasonal and latitudinal distributions of cloud thermodynamic phase generally agree with observations made by other satellites such as the Atmospheric Infrared Sounder (AIRS). Variogram analyses reveal variability at different spatial scales. Our results corroborate previously observed zonal distributions, while adding insight into the spatial scales of processes governing cloud top thermodynamic phase. Figure: Thermodynamic phase retrievals. Top: Example of a cloud top thermodynamic phase map from the EO-1/Hyperion. Bottom: Latitudinal distributions of pure and mixed phase clouds, 2005-2015, showing Liquid Thickness Fraction (LTF). LTF=0 corresponds to pure ice absorption, while LTF=1 is pure liquid. The

Economic and environmental evaluation of compressed-air cars

NASA Astrophysics Data System (ADS)

Creutzig, Felix; Papson, Andrew; Schipper, Lee; Kammen, Daniel M.

2009-10-01

Climate change and energy security require a reduction in travel demand, a modal shift, and technological innovation in the transport sector. Through a series of press releases and demonstrations, a car using energy stored in compressed air produced by a compressor has been suggested as an environmentally friendly vehicle of the future. We analyze the thermodynamic efficiency of a compressed-air car powered by a pneumatic engine and consider the merits of compressed air versus chemical storage of potential energy. Even under highly optimistic assumptions the compressed-air car is significantly less efficient than a battery electric vehicle and produces more greenhouse gas emissions than a conventional gas-powered car with a coal intensive power mix. However, a pneumatic-combustion hybrid is technologically feasible, inexpensive and could eventually compete with hybrid electric vehicles.

Thermodynamics Analysis of Refinery Sludge Gasification in Adiabatic Updraft Gasifier

PubMed Central

Ahmed, Reem; Sinnathambi, Chandra M.; Eldmerdash, Usama; Subbarao, Duvvuri

2014-01-01

Limited information is available about the thermodynamic evaluation for biomass gasification process using updraft gasifier. Therefore, to minimize errors, the gasification of dry refinery sludge (DRS) is carried out in adiabatic system at atmospheric pressure under ambient air conditions. The objectives of this paper are to investigate the physical and chemical energy and exergy of product gas at different equivalent ratios (ER). It will also be used to determine whether the cold gas, exergy, and energy efficiencies of gases may be maximized by using secondary air injected to gasification zone under various ratios (0, 0.5, 1, and 1.5) at optimum ER of 0.195. From the results obtained, it is indicated that the chemical energy and exergy of producer gas are magnified by 5 and 10 times higher than their corresponding physical values, respectively. The cold gas, energy, and exergy efficiencies of DRS gasification are in the ranges of 22.9–55.5%, 43.7–72.4%, and 42.5–50.4%, respectively. Initially, all 3 efficiencies increase until they reach a maximum at the optimum ER of 0.195; thereafter, they decline with further increase in ER values. The injection of secondary air to gasification zone is also found to increase the cold gas, energy, and exergy efficiencies. A ratio of secondary air to primary air of 0.5 is found to be the optimum ratio for all 3 efficiencies to reach the maximum values. PMID:24672368

Thermodynamics and historical relevance of a jetting thermometer made of Chinese zisha ceramic

NASA Astrophysics Data System (ADS)

Lee, Vincent; Attinger, Daniel

2016-07-01

Following a recent trend of scientific studies on artwork, we study here the thermodynamics of a thermometer made of zisha ceramic, related to the Chinese tea culture. The thermometer represents a boy who “urinates” shortly after hot water is poured onto his head. Long jetting distance is said to indicate that the water temperature is hot enough to brew tea. Here, a thermodynamic model describes the jetting phenomenon of that pee-pee boy. The study demonstrates how thermal expansion of an interior air pocket causes jetting. A thermodynamic potential is shown to define maximum jetting velocity. Seven optimization criteria to maximize jetting distance are provided, including two dimensionless numbers. Predicted jetting distances, jet durations, and temperatures agree very well with infrared and optical measurements. Specifically, the study confirms that jetting distances are sensitive enough to measure water temperature in the context of tea brewing. Optimization results show that longer jets are produced by large individuals, with low body mass index, with a boyhood of medium size inclined at an angle π/4. The study ends by considering the possibility that ceramic jetting artifacts like the pee-pee boy might have been the first thermometers known to mankind, before Galileo Galilei’s thermoscope.

Thermodynamics and historical relevance of a jetting thermometer made of Chinese zisha ceramic

PubMed Central

Lee, Vincent; Attinger, Daniel

2016-01-01

Following a recent trend of scientific studies on artwork, we study here the thermodynamics of a thermometer made of zisha ceramic, related to the Chinese tea culture. The thermometer represents a boy who “urinates” shortly after hot water is poured onto his head. Long jetting distance is said to indicate that the water temperature is hot enough to brew tea. Here, a thermodynamic model describes the jetting phenomenon of that pee-pee boy. The study demonstrates how thermal expansion of an interior air pocket causes jetting. A thermodynamic potential is shown to define maximum jetting velocity. Seven optimization criteria to maximize jetting distance are provided, including two dimensionless numbers. Predicted jetting distances, jet durations, and temperatures agree very well with infrared and optical measurements. Specifically, the study confirms that jetting distances are sensitive enough to measure water temperature in the context of tea brewing. Optimization results show that longer jets are produced by large individuals, with low body mass index, with a boyhood of medium size inclined at an angle π/4. The study ends by considering the possibility that ceramic jetting artifacts like the pee-pee boy might have been the first thermometers known to mankind, before Galileo Galilei’s thermoscope. PMID:27431925

Local equilibrium and the second law of thermodynamics for irreversible systems with thermodynamic inertia.

PubMed

Glavatskiy, K S

2015-10-28

Validity of local equilibrium has been questioned for non-equilibrium systems which are characterized by delayed response. In particular, for systems with non-zero thermodynamic inertia, the assumption of local equilibrium leads to negative values of the entropy production, which is in contradiction with the second law of thermodynamics. In this paper, we address this question by suggesting a variational formulation of irreversible evolution of a system with non-zero thermodynamic inertia. We introduce the Lagrangian, which depends on the properties of the normal and the so-called "mirror-image" systems. We show that the standard evolution equations, in particular, the Maxwell-Cattaneo-Vernotte equation, can be derived from the variational procedure without going beyond the assumption of local equilibrium. We also argue that the second law of thermodynamics in non-equilibrium should be understood as a consequence of the variational procedure and the property of local equilibrium. For systems with instantaneous response this leads to the standard requirement of the local instantaneous entropy production being always positive. However, if a system is characterized by delayed response, the formulation of the second law of thermodynamics should be altered. In particular, the quantity, which is always positive, is not the instantaneous entropy production, but the entropy production averaged over a proper time interval.

Microwave measurements of temperature profiles, integrated water vapour, and liquid water path at Thule Air Base, Greenland.

NASA Astrophysics Data System (ADS)

Pace, Giandomenico; Di Iorio, Tatiana; di Sarra, Alcide; Iaccarino, Antonio; Meloni, Daniela; Mevi, Gabriele; Muscari, Giovanni; Cacciani, Marco

2017-04-01

A RPG Humidity And Temperature PROfiler (HATPRO-G2 ) radiometer was installed at Thule Air Base (76.5° N, 68.8° W), Greenland, in June 2016 in the framework of the Study of the water VApour in the polar AtmosPhere (SVAAP) project. The Danish Meteorological Institute started measurements of atmospheric properties at Thule Air Base in early '90s. The Thule High Arctic Atmospheric Observatory (THAAO) has grown in size and observing capabilities during the last three decades through the international effort of United States (NCAR and University of Alaska Fairbanks) and Italian (ENEA, INGV, University of Roma and Firenze) institutions (http://www.thuleatmos-it.it). Within this context, the intensive field campaign of the SVAAP project was aimed at the investigation of the surface radiation budget and took place from 5 to 28 July, 2016. After the summer campaign the HATPRO has continued to operate in order to monitor the annual variability of the temperature profile and integrated water vapour as well as the presence and characteristics of liquid clouds in the Artic environment. The combined use of the HATPRO together with other automatic instruments, such as a new microwave spectrometer (the water Vapour Emission Spectrometer for Polar Atmosphere VESPA-22), upward- and downward-looking pyranometers and pyrgeometers, a zenith-looking pyrometer operating in the 9.6-11.5 µm spectral range, an all sky camera, and a meteorological station, allows to investigate the clouds' physical and optical properties, as well as their impact on the surface radiation budget. This study will present and discuss the first few months of HATPRO observations; the effectiveness of the statistical retrieval used to derive the physical parameters from the HATPRO brightness temperatures will also be investigated through the comparison of the temperature and humidity profiles, and integrated water vapour, with data from radiosondes launched during the summer campaign and in winter time.

The Thermodynamic Properties of Cubanite

NASA Technical Reports Server (NTRS)

Berger, E. L.; Lauretta, D. S.; Keller, L. P.

2012-01-01

CuFe2S3 exists in two polymorphs, a low-temperature orthorhombic form (cubanite) and a high-temperature cubic form (isocubanite). Cubanite has been identified in the CI-chondrite and Stardust collections. However, the thermodynamic properties of cubanite have neither been measured nor estimated. Our derivation of a thermodynamic model for cubanite allows constraints to be placed on the formation conditions. This data, along with the temperature constraint afforded by the crystal structure, can be used to assess the environments in which cubanite formation is (or is not) thermodynamically favored.

Thermodynamic metrics and optimal paths.

PubMed

Sivak, David A; Crooks, Gavin E

2012-05-11

A fundamental problem in modern thermodynamics is how a molecular-scale machine performs useful work, while operating away from thermal equilibrium without excessive dissipation. To this end, we derive a friction tensor that induces a Riemannian manifold on the space of thermodynamic states. Within the linear-response regime, this metric structure controls the dissipation of finite-time transformations, and bestows optimal protocols with many useful properties. We discuss the connection to the existing thermodynamic length formalism, and demonstrate the utility of this metric by solving for optimal control parameter protocols in a simple nonequilibrium model.

Non-hermitian quantum thermodynamics

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

Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

Thermodynamics is the phenomenological theory of heat and work. Here we analyze to what extent quantum thermodynamic relations are immune to the underlying mathematical formulation of quantum mechanics. As a main result, we show that the Jarzynski equality holds true for all non-hermitian quantum systems with real spectrum. This equality expresses the second law of thermodynamics for isothermal processes arbitrarily far from equilibrium. In the quasistatic limit however, the second law leads to the Carnot bound which is fulfilled even if some eigenenergies are complex provided they appear in conjugate pairs. Lastly, we propose two setups to test our predictions,more » namely with strongly interacting excitons and photons in a semiconductor microcavity and in the non-hermitian tight-binding model.« less

Non-hermitian quantum thermodynamics

DOE PAGES

Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

2016-03-22

Thermodynamics is the phenomenological theory of heat and work. Here we analyze to what extent quantum thermodynamic relations are immune to the underlying mathematical formulation of quantum mechanics. As a main result, we show that the Jarzynski equality holds true for all non-hermitian quantum systems with real spectrum. This equality expresses the second law of thermodynamics for isothermal processes arbitrarily far from equilibrium. In the quasistatic limit however, the second law leads to the Carnot bound which is fulfilled even if some eigenenergies are complex provided they appear in conjugate pairs. Lastly, we propose two setups to test our predictions,more » namely with strongly interacting excitons and photons in a semiconductor microcavity and in the non-hermitian tight-binding model.« less

eQuilibrator--the biochemical thermodynamics calculator.

PubMed

Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron

2012-01-01

The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like 'how much Gibbs energy is released by ATP hydrolysis at pH 5?' are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use.

eQuilibrator—the biochemical thermodynamics calculator

PubMed Central

Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron

2012-01-01

The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like ‘how much Gibbs energy is released by ATP hydrolysis at pH 5?’ are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use. PMID:22064852

Geometry and symmetry in non-equilibrium thermodynamic systems

NASA Astrophysics Data System (ADS)

Sonnino, Giorgio

2017-06-01

The ultimate aim of this series of works is to establish the closure equations, valid for thermodynamic systems out from the Onsager region, and to describe the geometry and symmetry in thermodynamic systems far from equilibrium. Geometry of a non-equilibrium thermodynamic system is constructed by taking into account the second law of thermodynamics and by imposing the validity of the Glansdorff-Prigogine Universal Criterion of Evolution. These two constraints allow introducing the metrics and the affine connection of the Space of the Thermodynamic Forces, respectively. The Lie group associated to the nonlinear Thermodynamic Coordinate Transformations (TCT) leaving invariant both the entropy production σ and the Glansdorff-Prigogine dissipative quantity P, is also described. The invariance under TCT leads to the formulation of the Thermodynamic Covariance Principle (TCP): The nonlinear closure equations, i.e. the flux-force relations, must be covariant under TCT. In other terms, the fundamental laws of thermodynamics should be manifestly covariant under transformations between the admissible thermodynamic forces (i.e. under TCT). The symmetry properties of a physical system are intimately related to the conservation laws characterizing the thermodynamic system. Noether's theorem gives a precise description of this relation. The macroscopic theory for closure relations, based on this geometrical description and subject to the TCP, is referred to as the Thermodynamic Field Theory (TFT). This theory ensures the validity of the fundamental theorems for systems far from equilibrium.

Evaluation of the Space Shuttle Transatlantic Abort Landing Atmospheric Sounding System

NASA Technical Reports Server (NTRS)

Leahy, Frank B.

2003-01-01

A study was conducted to determine the quality of thermodynamic and wind data measured by or derived from the Transatlantic Abort Landing (TAL) Atmospheric Sounding System (TASS). The system has Global Positioning System (GPS) tracking capability and includes a helium-filled latex balloon that carries an instrument package (sonde) and various ground equipment that receives and processes the data from the sonde. TASS is used to provide vertical profiles of thermodynamic and low-resolution wind data in support of Shuttle abort landing operations at TAL sites. TASS uses GPS to determine height, wind speed, and wind direction. The TASS sonde has sensors that directly measure air temperature and relative humidity. These are then used to derive air pressure and density. Test flights were conducted where a TASS sonde and a reference sonde were attached to the same balloon and the two profiles were compared. The objective of the testing was to determine if TASS thermodynamic and wind data met Space Shuttle Program (SSP) accuracy requirements outlined in the Space Shuttle Launch and Landing Program Requirements Document (PRD).

Joint profiling of greenhouse gases, isotopes, thermodynamic variables, and wind from space by combined microwave and IR laser occultation: the ACCURATE concept

NASA Astrophysics Data System (ADS)

Kirchengast, G.; Schweitzer, S.

2008-12-01

The ACCURATE (Atmospheric Climate and Chemistry in the UTLS Region And climate Trends Explorer) mission was conceived at the Wegener Center in late 2004 and subsequently proposed in 2005 by an international team of more than 20 scientific partners from more than 12 countries to an ESA selection process for next Earth Explorer Missions. While the mission was not selected for formal pre-phase A study, it received very positive evaluation and was recommended for further development and demonstration. ACCURATE employs the occultation measurement principle, known for its unique combination of high vertical resolution, accuracy and long-term stability, in a novel way. It systematically combines use of highly stable signals in the MW 17-23/178-196 GHz bands (LEO-LEO MW crosslink occultation) with laser signals in the SWIR 2-2.5 μm band (LEO-LEO IR laser crosslink occultation) for exploring and monitoring climate and chemistry in the atmosphere with focus on the UTLS region (upper troposphere/lower stratosphere, 5-35 km). The MW occultation is an advanced and at the same time compact version of the LEO-LEO MW occultation concept, studied in 2002-2004 for the ACE+ mission project of ESA for frequencies including the 17-23 GHz band, complemented by U.S. study heritage for frequencies including the 178-196 GHz bands (R. Kursinski et al., Univ. of Arizona, Tucson). The core of ACCURATE is tight synergy of the IR laser crosslinks with the MW crosslinks. The observed parameters, obtained simultaneously and in a self-calibrated manner based on Doppler shift and differential log-transmission profiles, comprise the fundamental thermodynamic variables of the atmosphere (temperature, pressure/geopotential height, humidity) retrieved from the MW bands, complemented by line-of-sight wind, six greenhouse gases (GHGs) and key species of UTLS chemistry (H2O, CO2, CH4, N2O, O3, CO) and four CO2 and H2O isotopes (HDO, H218O, 13CO2, C18OO) from the SWIR band. Furthermore, profiles of

A survey of upwind methods for flows with equilibrium and non-equilibrium chemistry and thermodynamics

NASA Technical Reports Server (NTRS)

Grossman, B.; Garrett, J.; Cinnella, P.

1989-01-01

Several versions of flux-vector split and flux-difference split algorithms were compared with regard to general applicability and complexity. Test computations were performed using curve-fit equilibrium air chemistry for an M = 5 high-temperature inviscid flow over a wedge, and an M = 24.5 inviscid flow over a blunt cylinder for test computations; for these cases, little difference in accuracy was found among the versions of the same flux-split algorithm. For flows with nonequilibrium chemistry, the effects of the thermodynamic model on the development of flux-vector split and flux-difference split algorithms were investigated using an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Several numerical examples are presented, including nonequilibrium air chemistry in a high-temperature shock tube and nonequilibrium hydrogen-air chemistry in a supersonic diffuser.

Thermodynamic study of quercetin and rutin mixtures with alcohols

NASA Astrophysics Data System (ADS)

Szymczyk, Katarzyna; Taraba, Anna

2018-04-01

The paper presents interactions between quercetin (3,3‧,4‧,5,7-pentahydroxyflavone) and its glycoside, rutin with short chain alcohols, methanol, ethanol and 1-propanol studied by the surface tension measurements. An attempt was made to investigate the effect of flavonoid and alcohol concentrations as well as temperature on the thermodynamic parameters of alcohols adsorption at the water-air interface that is the standard free enthalpy, enthalpy and entropy of adsorption as well as the infinite dilution activity coefficient. The obtained results show that the mixtures of quercetin with methanol and rutin with ethanol are characterized by the best adsorption properties but all studied systems become less structured after adsorption.

Interaction of polyhedral oligomeric silsesquioxanes and dipalmitoylphosphatidylcholine at the air/water interface: Thermodynamic and rheological study.

PubMed

Skrzypiec, M; Georgiev, G As; Rojewska, M; Prochaska, K

2017-10-01

Polyhedral oligomeric silsesquioxanes (POSS) derivatives containing open silsesquioxane cage bear great potential for biomedical applications and therefore their lateral interactions with phospholipids, major biomembranes and drug vehicles constituent, should be studied in detail. That is why the properties of surface films by two POSS-derivatives, POSS-polyethylene glycol (POSS-PEG) and POSS-perfluoroalkyl (POSS-OFP), pure and in presence of 1,2-dipalmitoyl-sn-glycerol-3-phosphocholine (DPPC) were studied using Langmuir surface balance. Side chains of opposite nature (PEG is hydrophilic; OFP is hydrophobic) were selected, so that to evaluate their impact on polymers' surface properties. Two types of measurements were performed: (i) the miscibility of POSS-derivatives with DPPC was evaluated via thermodynamic analysis of the surface pressure (π)-area (A) isotherms and (ii) the dilatational rheology of selected POSS-polymer containing films was studied by the stress relaxation method. Fourier transformation analysis of the relaxation transients allows to access films' dynamic interfacial properties in broad frequency range (10 -5 -1Hz). Film morphology was monitored with Brewster Angle Microscopy. PEG moiety enabled POSS-PEG to stably incorporate in DPPC films, modifying their equilibrium and dynamic properties. In contrast OFP chains excluded from interactions with other molecules and diminished PEG-OFP amphiphilicity. Therefore at high packing densities (π≥25mN/m) PEG-OFP was expelled from the air/water interface in DPPC/PEG-OFP mixtures, and the binary films equilibrium and dynamic surface properties were determined primarily by DPPC. Thus the choice of POSS side chains can play key role in biomedical applications depending on whether strong or weak incorporation of POSS-polymers in lipid environment is aimed for. Copyright © 2017 Elsevier B.V. All rights reserved.

Black hole thermodynamics

NASA Astrophysics Data System (ADS)

Carlip, S.

2014-10-01

The discovery in the early 1970s that black holes radiate as black bodies has radically affected our understanding of general relativity, and offered us some early hints about the nature of quantum gravity. In this paper, will review the discovery of black hole thermodynamics and summarize the many independent ways of obtaining the thermodynamic and (perhaps) statistical mechanical properties of black holes. I will then describe some of the remaining puzzles, including the nature of the quantum microstates, the problem of universality, and the information loss paradox.

Impact of radon gas concentration in the aerosoles profile

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

Lukaj, Edmond, E-mail: mondilukaj@yahoo.com; Vila, Floran, E-mail: floranvila@yahoo.com; Mandija, Florian, E-mail: fmandija@yahoo.com

Radon gases relased from building materials and from earth surface are the major responsibility of air ionization. Radon nuclear decay can produce an alpha particle with high energy and Radon progeny. This particle and gamma rays can deliver particles in the air and produce ions with different polarities. This ions, because of induced electric charge, can attach with air aerosols and charge them with their electric charge. The charged aerosols can interact with the other aerosols and ions. Because of this exchange, the air conductivity and the aerosol profiles will change dependently by Radon gas concentration and gamma radiation. Observationsmore » show an increase in concentration of Radon during the night, and a decrease during the daylight time. The Radon gas concentration changed hour by hour can induce aerosol profile to change. This dependency between the aerosol profiles and the Radon gas concentrations is discussed.« less

Unfolding thermodynamics of intramolecular G-quadruplexes: base sequence contributions of the loops.

PubMed

Olsen, Chris M; Lee, Hui-Ting; Marky, Luis A

2009-03-05

G-quadruplexes are a highly studied DNA motif with a potential role in a variety of cellular processes and more recently are considered novel targets for drug therapy in aging and anticancer research. In this work, we have investigated the thermodynamic contributions of the loops on the stable formation of G-quadruplexes. Specifically, we use a combination of UV, circular dichroism (CD) and fluorescence spectroscopies, and differential scanning calorimetry (DSC) to determine thermodynamic profiles, including the differential binding of ions and water, for the unfolding of the thrombin aptamer: d(GGT2GGTGTGGT2GG) that is referred to as G2. The sequences in italics, TGT and T2, are known to form loops. Other sequences examined contained base substitutions in the TGT loop (TAT, TCT, TTT, TAPT, and UUU), in the T2 loops (T4, U2), or in both loops (UGU and U2, UUU and U2). The CD spectra of all molecules show a positive band centered at 292 nm, which corresponds to the "chair" conformation. The UV and DSC melting curves of each G-quadruplex show monophasic transitions with transition temperatures (T(M)s) that remained constant with increasing strand concentration, confirming their intramolecular formation. These G-quadruplexes unfold with T(M)s in the range from 43.2 to 56.5 degrees C and endothermic enthalpies from 22.9 to 37.2 kcal/mol. Subtracting the contribution of a G-quartet stack from each experimental profile indicated that the presence of the loops stabilize each G-quadruplex by favorable enthalpy contributions, larger differential binding of K+ ions (0.1-0.6 mol K+/ mol), and a variable uptake/release of water molecules (-6 to 8 mol H2O/mol). The thermodynamic contributions for these specific base substitutions are discussed in terms of loop stacking (base-base stacking within the loops) and their hydration effects.

Decomposing the profile of PM in two low polluted German cities--mapping of air mass residence time, focusing on potential long range transport impacts.

PubMed

Dimitriou, Konstantinos; Kassomenos, Pavlos

2014-07-01

This paper aims to decompose the profile of particulates in Karlsruhe and Potsdam (Germany), focusing on the localization of PM potential transboundary sources. An air mass cluster analysis was implemented, followed by a study of air mass residence time on a grid of a 0.5° × 0.5° resolution. Particulate/gaseous daily air pollution and meteorological data were used to indicate PM local sources. Four Principal Component Analysis (PCA) components were produced: traffic, photochemical, industrial/domestic and particulate. PM2.5/PM10 ratio seasonal trends, indicated production of PMCOARSE (PM10-PM2.5) from secondary sources in Potsdam during warm period (WP). The residing areas of incoming slow moving air masses are potential transboundary PM sources. For Karlsruhe those areas were mainly around the city. An air mass residence time secondary peak was observed over Stuttgart. For Potsdam, areas with increased dwelling time of the arriving air parcels were detected particularly above E/SE Germany. Copyright © 2014 Elsevier Ltd. All rights reserved.

Application of thermodynamics to silicate crystalline solutions

NASA Technical Reports Server (NTRS)

Saxena, S. K.

1972-01-01

A review of thermodynamic relations is presented, describing Guggenheim's regular solution models, the simple mixture, the zeroth approximation, and the quasi-chemical model. The possibilities of retrieving useful thermodynamic quantities from phase equilibrium studies are discussed. Such quantities include the activity-composition relations and the free energy of mixing in crystalline solutions. Theory and results of the study of partitioning of elements in coexisting minerals are briefly reviewed. A thermodynamic study of the intercrystalline and intracrystalline ion exchange relations gives useful information on the thermodynamic behavior of the crystalline solutions involved. Such information is necessary for the solution of most petrogenic problems and for geothermometry. Thermodynamic quantities for tungstates (CaWO4-SrWO4) are calculated.

Nonequilibrium thermodynamics of restricted Boltzmann machines.

PubMed

Salazar, Domingos S P

2017-08-01

In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.

Single molecule thermodynamics in biological motors.

PubMed

Taniguchi, Yuichi; Karagiannis, Peter; Nishiyama, Masayoshi; Ishii, Yoshiharu; Yanagida, Toshio

2007-04-01

Biological molecular machines use thermal activation energy to carry out various functions. The process of thermal activation has the stochastic nature of output events that can be described according to the laws of thermodynamics. Recently developed single molecule detection techniques have allowed each distinct enzymatic event of single biological machines to be characterized providing clues to the underlying thermodynamics. In this study, the thermodynamic properties in the stepping movement of a biological molecular motor have been examined. A single molecule detection technique was used to measure the stepping movements at various loads and temperatures and a range of thermodynamic parameters associated with the production of each forward and backward step including free energy, enthalpy, entropy and characteristic distance were obtained. The results show that an asymmetry in entropy is a primary factor that controls the direction in which the motor will step. The investigation on single molecule thermodynamics has the potential to reveal dynamic properties underlying the mechanisms of how biological molecular machines work.

Local equilibrium and the second law of thermodynamics for irreversible systems with thermodynamic inertia

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

Glavatskiy, K. S.

Validity of local equilibrium has been questioned for non-equilibrium systems which are characterized by delayed response. In particular, for systems with non-zero thermodynamic inertia, the assumption of local equilibrium leads to negative values of the entropy production, which is in contradiction with the second law of thermodynamics. In this paper, we address this question by suggesting a variational formulation of irreversible evolution of a system with non-zero thermodynamic inertia. We introduce the Lagrangian, which depends on the properties of the normal and the so-called “mirror-image” systems. We show that the standard evolution equations, in particular, the Maxwell-Cattaneo-Vernotte equation, can bemore » derived from the variational procedure without going beyond the assumption of local equilibrium. We also argue that the second law of thermodynamics in non-equilibrium should be understood as a consequence of the variational procedure and the property of local equilibrium. For systems with instantaneous response this leads to the standard requirement of the local instantaneous entropy production being always positive. However, if a system is characterized by delayed response, the formulation of the second law of thermodynamics should be altered. In particular, the quantity, which is always positive, is not the instantaneous entropy production, but the entropy production averaged over a proper time interval.« less

Comparison of Optimal Thermodynamic Models of the Tricarboxylic Acid Cycle from Heterotrophs, Cyanobacteria, and Green Sulfur Bacteria.

PubMed

Thomas, Dennis G; Jaramillo-Riveri, Sebastian; Baxter, Douglas J; Cannon, William R

2014-12-26

We have applied a new stochastic simulation approach to predict the metabolite levels, material flux, and thermodynamic profiles of the oxidative TCA cycles found in E. coli and Synechococcus sp. PCC 7002, and in the reductive TCA cycle typical of chemolithoautotrophs and phototrophic green sulfur bacteria such as Chlorobaculum tepidum. The simulation approach is based on modeling states using statistical thermodynamics and employs an assumption similar to that used in transition state theory. The ability to evaluate the thermodynamics of metabolic pathways allows one to understand the relationship between coupling of energy and material gradients in the environment and the self-organization of stable biological systems, and it is shown that each cycle operates in the direction expected due to its environmental niche. The simulations predict changes in metabolite levels and flux in response to changes in cofactor concentrations that would be hard to predict without an elaborate model based on the law of mass action. In fact, we show that a thermodynamically unfavorable reaction can still have flux in the forward direction when it is part of a reaction network. The ability to predict metabolite levels, energy flow, and material flux should be significant for understanding the dynamics of natural systems and for understanding principles for engineering organisms for production of specialty chemicals.

Transition of AIRS Products to the National Weather Service

NASA Technical Reports Server (NTRS)

Zavodsky, Bradley

2012-01-01

Short-term Prediction Research and Transition Center (SPoRT) is a proven community leader for transitioning satellite products to operational end users and is working hard to bring data from Atmospheric Infrared Sounder (AIRS) to forecasters. SPoRT products using AIRS data are currently or will soon be evaluated at WFOs and National Centers (1) T and q profiles: HWT, Alaska WFOs, HRD/OPC, HMT (2) Ozone profiles: HPC/OPC (3) Carbon Monoxide: Southern and Western Region WFOs SPoRT is actively evaluating differences between V5 and V6 profiles for selected cases and will continue to provide feedback to the AIRS team as V6 development efforts conclude.

Discussion Meeting on Thermodynamics of Alloys Held in Sant Feliu de Guixols, Spain on 23-26 May 1990. Abstracts

DTIC Science & Technology

1990-05-26

OFFICE OF THE U.S. ARMY EUROPEAN RESEARCH OFFICE OF THE U.S. AIR FORCE MINISTERIO DE EDUCACION Y CIENCIA I I Wednesday, May 23 8.30 Registration 9.00... especially regarding the structural but less the thermodynamic proper- ties). The third binary system Ag-Te has been investigated in detail by our group. No

Difference rule-a new thermodynamic principle: prediction of standard thermodynamic data for inorganic solvates.

PubMed

Jenkins, H Donald Brooke; Glasser, Leslie

2004-12-08

We present a quite general thermodynamic "difference" rule, derived from thermochemical first principles, quantifying the difference between the standard thermodynamic properties, P, of a solid n-solvate (or n-hydrate), n-S, containing n molecules of solvate, S (water or other) and the corresponding solid parent (unsolvated) salt: [P[n-solvate] - P[parent

Dynamics and thermodynamics of a tornado: Rotation effects

NASA Astrophysics Data System (ADS)

Ben-Amots, N.

2016-09-01

This paper investigates the relevant processes in the tornado including the dynamics of rotation and thermodynamics as well as condensation. The main novelty of this paper is the explanation of the phenomena occurring in the central downflow. The reduced pressure in the tornado's funnel sucks air and water vapor from the cloud above the tornado. The latent heat of condensation is released in the funnel. The centrifugal force drives the generated water drops out of the funnel. The latent heat of condensation released is also transferred out of the funnel, and supplies the helically ascending air flow surrounding the tornado with additional buoyancy energy. This process gives the tornado increased strength compared to the dust devil type of flow, thus explaining why tornadoes occur always under a cloud, and why the tornado pipe can reach a height of a kilometer and more. To sustain a tornado, the temperature of water vapor at the cloud's base should be higher than the surroundings by a certain minimal value. Remote infrared temperature measurements of clouds' bases may provide indications of the probability that a cloud can spawn a tornado, which may increase the lead time.

Interfacial engineering of solution-processed Ni nanochain-SiO{sub x} (x < 2) cermets towards thermodynamically stable, anti-oxidation solar selective absorbers

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

Yu, Xiaobai; Wang, Xiaoxin; Liu, Jifeng, E-mail: Jifeng.Liu@dartmouth.edu

Cermet solar thermal selective absorber coatings are an important component of high-efficiency concentrated solar power (CSP) receivers. The oxidation of the metal nanoparticles in cermet solar absorbers is a great challenge for vacuum-free operation. Recently, we have demonstrated that oxidation is kinetically retarded in solution processed, high-optical-performance Ni nanochain-SiO{sub x} cermet system compared to conventional Ni-Al{sub 2}O{sub 3} system when annealed in air at 450–600 °C for several hours. However, for long-term, high-temperature applications in CSP systems, thermodynamically stable antioxidation behavior is highly desirable, which requires new mechanisms beyond kinetically reducing the oxidation rate. Towards this goal, in this paper, wemore » demonstrate that pre-operation annealing of Ni nanochain-SiO{sub x} cermets at 900 °C in N{sub 2} forms the thermodynamically stable orthorhombic phase of NiSi at the Ni/SiO{sub x} interfaces, leading to self-terminated oxidation at 550 °C in air due to this interfacial engineering. In contrast, pre-operation annealing at a lower temperature of 750 °C in N{sub 2} (as conducted in our previous work) cannot achieve interfacial NiSi formation directly, and further annealing in air at 450–600 °C for >4 h only leads to the formation of the less stable (metastable) hexagonal phase of NiSi. Therefore, the high-temperature pre-operation annealing is critical to form the desirable orthorhombic phase of NiSi at Ni/SiO{sub x} interfaces towards thermodynamically stable antioxidation behavior. Remarkably, with this improved interfacial engineering, the oxidation of 80-nm-diameter Ni nanochain-SiO{sub x} saturates after annealing at 550 °C in air for 12 h. Additional annealing at 550 °C in air for as long as 20 h (i.e., 32 h air annealing at >550 °C in total) has almost no further impact on the structural or optical properties of the coatings, the latter being very sensitive to any

[Thermodynamics of the origin of life, evolution and aging].

PubMed

Gladyshev, G P

2014-01-01

Briefly discusses the history of the search of thermodynamic approach to explain the origin of life, evolution and aging of living beings. The origin of life is the result of requirement by the quasi-equilibrium hierarchical thermodynamics, in particular, the supramolecular thermodynamics. The evolution and aging of living beings is accompanied with changes of chemical and supramolecular compositions of living bodies, as well as with changes in the composition and structure of all hierarchies of the living world. The thermodynamic principle of substance stability predicts the existence of a single genetic code in our universe. The thermodynamic theory optimizes physiology and medicine and recommends antiaging diets and medicines. Hierarchical thermodynamics forms the design diversity of culture and art. The thermodynamic theory of origin of life, evolution and aging is the development of Clausius-Gibbs thermodynamics. Hierarchical thermodynamics is the mirror of Darwin-Wallace's-theory.

Thermodynamic study of benzocaine insertion into different lipid bilayers

NASA Astrophysics Data System (ADS)

Cascales, J. J. López; Costa, S. D. Oliveira; Porasso, R. D.

2011-10-01

Despite the general consensus concerning the role played by sodium channels in the molecular mechanism of local anesthetics, the potency of anaesthetic drugs also seems to be related with their solubility in lipid bilayers. In this respect, this work represents a thermodynamic study of benzocaine insertion into lipid bilayers of different compositions by means of molecular dynamics simulation. Thus, the free energy profiles associated with benzocaine insertion into symmetric lipid bilayers composed of different proportions of dipalmitoylphosphatidylcholine and dipalmitoylphosphatidylserine were studied. From the simulation results, a maximum in the free energy (ΔG) profile was measured in the region of the lipid/solution interface. This free energy barrier appears to be very much dependent on the lipid composition of the membrane. On the other hand, the minimum free energy (ΔG) within the bilayer remained almost independent of the lipid composition of the bilayer. By repeating the study at different temperatures, it was seen how the spontaneity of benzocaine insertion into the lipid bilayer is due to an increase in the entropy associated with the process.

Thermodynamic study of benzocaine insertion into different lipid bilayers.

PubMed

Cascales, J J López; Costa, S D Oliveira; Porasso, R D

2011-10-07

Despite the general consensus concerning the role played by sodium channels in the molecular mechanism of local anesthetics, the potency of anaesthetic drugs also seems to be related with their solubility in lipid bilayers. In this respect, this work represents a thermodynamic study of benzocaine insertion into lipid bilayers of different compositions by means of molecular dynamics simulation. Thus, the free energy profiles associated with benzocaine insertion into symmetric lipid bilayers composed of different proportions of dipalmitoylphosphatidylcholine and dipalmitoylphosphatidylserine were studied. From the simulation results, a maximum in the free energy (ΔG) profile was measured in the region of the lipid/solution interface. This free energy barrier appears to be very much dependent on the lipid composition of the membrane. On the other hand, the minimum free energy (ΔG) within the bilayer remained almost independent of the lipid composition of the bilayer. By repeating the study at different temperatures, it was seen how the spontaneity of benzocaine insertion into the lipid bilayer is due to an increase in the entropy associated with the process. © 2011 American Institute of Physics

Estimating Mixing Heights Using Microwave Temperature Profiler

NASA Technical Reports Server (NTRS)

Nielson-Gammon, John; Powell, Christina; Mahoney, Michael; Angevine, Wayne

2008-01-01

A paper describes the Microwave Temperature Profiler (MTP) for making measurements of the planetary boundary layer thermal structure data necessary for air quality forecasting as the Mixing Layer (ML) height determines the volume in which daytime pollution is primarily concentrated. This is the first time that an airborne temperature profiler has been used to measure the mixing layer height. Normally, this is done using a radar wind profiler, which is both noisy and large. The MTP was deployed during the Texas 2000 Air Quality Study (TexAQS-2000). An objective technique was developed and tested for estimating the ML height from the MTP vertical temperature profiles. In order to calibrate the technique and evaluate the usefulness of this approach, estimates from a variety of measurements during the TexAQS-2000 were compared. Estimates of ML height were used from radiosondes, radar wind profilers, an aerosol backscatter lidar, and in-situ aircraft measurements in addition to those from the MTP.

Assessment of NOAA NUCAPS upper air temperature profiles using COSMIC GPS radio occultation and ARM radiosondes

NASA Astrophysics Data System (ADS)

Feltz, M. L.; Borg, L.; Knuteson, R. O.; Tobin, D.; Revercomb, H.; Gambacorta, A.

2017-09-01

The U.S. National Oceanic and Atmospheric Administration (NOAA) recently began operational processing to derive vertical temperature profiles from two new sensors, Cross-Track Infrared Sounder and Advanced Technology Microwave Sounder, which were developed for the next generation of U.S. weather satellites. The NOAA-Unique Combined Atmospheric Processing System (NUCAPS) has been developed by NOAA to routinely process data from future Joint Polar Satellite System operational satellites and the preparatory Suomi-NPP satellite. This paper assesses the NUCAPS vertical temperature profile product from the upper troposphere into the middle stratosphere using radiosonde and GPS radio occultation (RO) data. Radiosonde data from the Department of Energy Atmospheric Radiation Measurement (ARM) program are=] compared to both the NUCAPS and GPS RO temperature products to evaluate bias and RMS errors. At all three fixed ARM sites for time periods investigated the NUCAPS temperature in the 100-40 hPa range is found to have an average bias to the radiosondes of less than 0.45 K and an RMS error of less than 1 K when temperature averaging kernels are applied. At a 95% confidence level, the radiosondes and RO were found to agree within 0.4 K at the North Slope of Alaska site and within 0.83 K at Southern Great Plains and Tropical Western Pacific. The GPS RO-derived dry temperatures, obtained from the University Corporation for Atmospheric Research Constellation Observing System for Meteorology, Ionosphere, and Climate (COSMIC) mission, are used as a common reference for the intercomparison of NUCAPS temperature products to similar products produced by NASA from Atmospheric Infrared Sounder (AIRS) and by European Organisation for the Exploitation of Meteorological Satellites from MetOp-B Infrared Atmospheric Sounding Interferometer (IASI). For seasonal and zonal scales, the NUCAPS agreement with AIRS and IASI is less than 0.5 K after application of averaging kernels.

Thermodynamic efficiency of nonimaging concentrators

NASA Astrophysics Data System (ADS)

Shatz, Narkis; Bortz, John; Winston, Roland

2009-08-01

The purpose of a nonimaging concentrator is to transfer maximal flux from the phase space of a source to that of a target. A concentrator's performance can be expressed relative to a thermodynamic reference. We discuss consequences of Fermat's principle of geometrical optics. We review étendue dilution and optical loss mechanisms associated with nonimaging concentrators, especially for the photovoltaic (PV) role. We introduce the concept of optical thermodynamic efficiency which is a performance metric combining the first and second laws of thermodynamics. The optical thermodynamic efficiency is a comprehensive metric that takes into account all loss mechanisms associated with transferring flux from the source to the target phase space, which may include losses due to inadequate design, non-ideal materials, fabrication errors, and less than maximal concentration. As such, this metric is a gold standard for evaluating the performance of nonimaging concentrators. Examples are provided to illustrate the use of this new metric. In particular we discuss concentrating PV systems for solar power applications.

Atmospheric Soundings from AIRS/AMSU/HSB

NASA Technical Reports Server (NTRS)

Susskind, Joel; Atlas, Robert

2004-01-01

AIRS was launched on EOS Aqua on May 4, 2002, together with AMSU A and HSB, to form a next generation polar orbiting infrared and microwave atmospheric sounding system. The primary products of AIRS/AMSU/HSB are twice daily global fields of atmospheric temperature-humidity profiles, ozone profiles, sea/land surface skin temperature, and cloud related parameters including OLR. The sounding goals of AIRS are to produce 1 km tropospheric layer mean temperatures with an rms error of lK, and 1 km tropospheric layer precipitable water with an rms error of 20%, in cases with up to 80% effective cloud cover. Pre-launch simulation studies indicated that these results should be achievable. Minor modifications have been made to the pre-launch retrieval algorithm as alluded to in this paper. Sample fields of parameters retrieved from AIRS/AMSU/HSB data are presented and temperature profiles are validated as a function of retrieved effective fractional cloud cover. As in simulation, the degradation of retrieval accuracy with increasing cloud cover is small. Select fields are also compared to those contained in the ECMWF analysis, done without the benefit of AIRS data, to demonstrate information that AIRS can add to that already contained in the ECMWF analysis. Assimilation of AIRS temperature soundings in up to 80% cloud cover for the month of January 2003 into the GSFC FVSSI data assimilation system resulted in improved 5 day forecasts globally, both with regard to anomaly correlation coefficients and the prediction of location and intensity of cyclones.

The Trajectory Synthesizer Generalized Profile Interface

NASA Technical Reports Server (NTRS)

Lee, Alan G.; Bouyssounouse, Xavier; Murphy, James R.

2010-01-01

The Trajectory Synthesizer is a software program that generates aircraft predictions for Air Traffic Management decision support tools. The Trajectory Synthesizer being used by researchers at NASA Ames Research Center was restricted in the number of trajectory types that could be generated. This limitation was not sufficient to support the rapidly changing Air Traffic Management research requirements. The Generalized Profile Interface was developed to address this issue. It provides a flexible approach to describe the constraints applied to trajectory generation and may provide a method for interoperability between trajectory generators. It also supports the request and generation of new types of trajectory profiles not possible with the previous interface to the Trajectory Synthesizer. Other enhancements allow the Trajectory Synthesizer to meet the current and future needs of Air Traffic Management research.

On Thermodynamic Constraints upon Turbulence Modeling

NASA Astrophysics Data System (ADS)

Huang, Yu-Ning; Durst, Franz

2000-11-01

Turbulence is a continuum phenomenon which can be described within the framework of continuum mechanics. Such foundation has the potential for improving turbulence modeling, making it less heuristic and more rational. In the present research, we consider the compatibility of turbulence modeling with the second law of thermodynamics. We show that the Clausius-Planck inequality, as an expression of the principle of entropy growth, places a thermodynamic restriction upon the turbulence modeling of an incompressible Navier-Stokes fluid in an isothermal temperature field. This thermodynamic restriction is given in the form of an inequality, which ensures non-negativeness of the mean internal dissipation. As an illustration, we show the thermodynamic constraints on the modeling of a few typical homogeneous turbulent flows.

Thermodynamics of Enzyme-Catalyzed Reactions Database

National Institute of Standards and Technology Data Gateway

SRD 74 Thermodynamics of Enzyme-Catalyzed Reactions Database (Web, free access)   The Thermodynamics of Enzyme-Catalyzed Reactions Database contains thermodynamic data on enzyme-catalyzed reactions that have been recently published in the Journal of Physical and Chemical Reference Data (JPCRD). For each reaction the following information is provided: the reference for the data, the reaction studied, the name of the enzyme used and its Enzyme Commission number, the method of measurement, the data and an evaluation thereof.

Limits of predictions in thermodynamic systems: a review

NASA Astrophysics Data System (ADS)

Marsland, Robert, III; England, Jeremy

2018-01-01

The past twenty years have seen a resurgence of interest in nonequilibrium thermodynamics, thanks to advances in the theory of stochastic processes and in their thermodynamic interpretation. Fluctuation theorems provide fundamental constraints on the dynamics of systems arbitrarily far from thermal equilibrium. Thermodynamic uncertainty relations bound the dissipative cost of precision in a wide variety of processes. Concepts of excess work and excess heat provide the basis for a complete thermodynamics of nonequilibrium steady states, including generalized Clausius relations and thermodynamic potentials. But these general results carry their own limitations: fluctuation theorems involve exponential averages that can depend sensitively on unobservably rare trajectories; steady-state thermodynamics makes use of a dual dynamics that lacks any direct physical interpretation. This review aims to present these central results of contemporary nonequilibrium thermodynamics in such a way that the power of each claim for making physical predictions can be clearly assessed, using examples from current topics in soft matter and biophysics.

Non-equilibrium thermodynamics in cells.

PubMed

Jülicher, Frank; Grill, Stephan W; Salbreux, Guillaume

2018-03-15

We review the general hydrodynamic theory of active soft materials that is motivated in partic- ular by biological matter. We present basic concepts of irreversible thermodynamics of spatially extended multicomponent active systems. Starting from the rate of entropy production, we iden- tify conjugate thermodynamic fluxes and forces and present generic constitutive equations of polar active fluids and active gels. We also discuss angular momentum conservation which plays a role in the the physics of active chiral gels. The irreversible thermodynamics of active gels provides a general framework to discuss the physics that underlies a wide variety of biological processes in cells and in multicellular tissues. © 2018 IOP Publishing Ltd.

Thermodynamics of bread baking: A two-state model

NASA Astrophysics Data System (ADS)

Zürcher, Ulrich

2014-03-01

Bread baking can be viewed as a complex physico-chemical process. It is governed by transport of heat and is accompanied by changes such as gelation of starch, the expansion of air cells within dough, and others. We focus on the thermodynamics of baking and investigate the heat flow through dough and find that the evaporation of excess water in dough is the rate-limiting step. We consider a simplified one-dimensional model of bread, treating the excess water content as a two-state variable that is zero for baked bread and a fixed constant for unbaked dough. We arrive at a system of coupled, nonlinear ordinary differential equations, which are solved using a standard Runge-Kutta integration method. The calculated baking times are consistent with common baking experience.

Thermodynamics of Inozemtsev's elliptic spin chain

NASA Astrophysics Data System (ADS)

Klabbers, Rob

2016-06-01

We study the thermodynamic behaviour of Inozemtsev's long-range elliptic spin chain using the Bethe ansatz equations describing the spectrum of the model in the infinite-length limit. We classify all solutions of these equations in that limit and argue which of these solutions determine the spectrum in the thermodynamic limit. Interestingly, some of the solutions are not selfconjugate, which puts the model in sharp contrast to one of the model's limiting cases, the Heisenberg XXX spin chain. Invoking the string hypothesis we derive the thermodynamic Bethe ansatz equations (TBA-equations) from which we determine the Helmholtz free energy in thermodynamic equilibrium and derive the associated Y-system. We corroborate our results by comparing numerical solutions of the TBA-equations to a direct computation of the free energy for the finite-length hamiltonian. In addition we confirm numerically the interesting conjecture put forward by Finkel and González-López that the original and supersymmetric versions of Inozemtsev's elliptic spin chain are equivalent in the thermodynamic limit.

Characterization of air profiles impeded by plant canopies for a variable-rate air-assisted sprayer

USDA-ARS?s Scientific Manuscript database

The preferential design for variable-rate orchard and nursery sprayers relies on tree structure to control liquid and air flow rates. Demand for this advanced feature has been incremental as the public demand on reduction of pesticide use. A variable-rate, air assisted, five-port sprayer had been in...

Thermodynamic properties of water solvating biomolecular surfaces

NASA Astrophysics Data System (ADS)

Heyden, Matthias

Changes in the potential energy and entropy of water molecules hydrating biomolecular interfaces play a significant role for biomolecular solubility and association. Free energy perturbation and thermodynamic integration methods allow calculations of free energy differences between two states from simulations. However, these methods are computationally demanding and do not provide insights into individual thermodynamic contributions, i.e. changes in the solvent energy or entropy. Here, we employ methods to spatially resolve distributions of hydration water thermodynamic properties in the vicinity of biomolecular surfaces. This allows direct insights into thermodynamic signatures of the hydration of hydrophobic and hydrophilic solvent accessible sites of proteins and small molecules and comparisons to ideal model surfaces. We correlate dynamic properties of hydration water molecules, i.e. translational and rotational mobility, to their thermodynamics. The latter can be used as a guide to extract thermodynamic information from experimental measurements of site-resolved water dynamics. Further, we study energy-entropy compensations of water at different hydration sites of biomolecular surfaces. This work is supported by the Cluster of Excellence RESOLV (EXC 1069) funded by the Deutsche Forschungsgemeinschaft.

Thermodynamic and kinetic modelling of fuel oxidation behaviour in operating defective fuel

NASA Astrophysics Data System (ADS)

Lewis, operating defective fuel B. J.; Thompson, W. T.; Akbari, F.; Thompson, D. M.; Thurgood, C.; Higgs, J.

2004-07-01

A theoretical treatment has been developed to predict the fuel oxidation behaviour in operating defective nuclear fuel elements. The equilibrium stoichiometry deviation in the hyper-stoichiometric fuel has been derived from thermodynamic considerations using a self-consistent set of thermodynamic properties for the U-O system, which emphasizes replication of solubilities and three-phase invariant conditions displayed in the U-O binary phase diagram. The kinetics model accounts for multi-phase transport including interstitial oxygen diffusion in the solid and gas-phase transport of hydrogen and steam in the fuel cracks. The fuel oxidation model is further coupled to a heat conduction model to account for the feedback effect of a reduced thermal conductivity in the hyper-stoichiometric fuel. A numerical solution has been developed using a finite-element technique with the FEMLAB software package. The model has been compared to available data from several in-reactor X-2 loop experiments with defective fuel conducted at the Chalk River Laboratories. The model has also been benchmarked against an O/U profile measurement for a spent defective fuel element discharged from a commercial reactor.

A thermodynamic and heat transfer model for LNG ageing during ship transportation. Towards an efficient boil-off gas management

NASA Astrophysics Data System (ADS)

Krikkis, Rizos N.

2018-06-01

A non-equilibrium thermodynamic and heat transfer model for LNG ageing during ship transportation has been developed based on experimental data. The measurements reveal that the liquid temperature remains nearly constant, whereas significant variations are observed for the gas temperature. The measurement of the liquid temperature along the tank height suggests that a small scale rollover phenomenon may have taken place in one cargo tank. A time dependent heat transfer mechanism has been considered by taking into account the temperature variations of the atmospheric air, the seawater and the cofferdam environment which affect the cargo tanks. An important finding is that the evaporation rate (boil-of rate) is forced to follow the fuel flow consumption profile imposed by the vessel's propulsion system in order to match the tank pressure and volume constraints. The theoretical model is favorably compared to a comprehensive set on per hour basis of on board measurements of cargo temperatures and pressures, recorded during laden voyages, providing a better understanding of the underlying processes involved. The dominant role of the fuel consumption on the evaporation rate may be utilized in order to devise an efficient cargo management strategy during the laden voyage.

HIGH-AFFINITY T CELL RECEPTOR DIFFERENTIATES COGNATE PEPTIDE-MHC AND ALTERED PEPTIDE LIGANDS WITH DISTINCT KINETICS AND THERMODYNAMICS

PubMed Central

Persaud, Stephen P.; Donermeyer, David L.; Weber, K. Scott; Kranz, David M.; Allen, Paul M.

2010-01-01

Interactions between the T cell receptor and cognate peptide-MHC are crucial initiating events in the adaptive immune response. These binding events are highly specific yet occur with micromolar affinity. Even weaker interactions between TCR and self-pMHC complexes play critical regulatory roles in T cell development, maintenance and coagonist activity. Due to their low affinity, the kinetics and thermodynamics of such weak interactions are difficult to study. In this work, we used M15, a high-affinity TCR engineered from the 3.L2 TCR system, to study the binding properties, thermodynamics, and specificity of two altered peptide ligands (APLs). Our affinity measurements of the high-affinity TCR support the view that the wild type TCR binds these APLs in the millimolar affinity range, and hence very low affinities can still elicit biological functions. Finally, single methylene differences among the APLs gave rise to strikingly different binding thermodynamics. These minor changes in the pMHC antigen were associated with significant and unpredictable changes in both the entropy and enthalpy of the reaction. As the identical TCR was analyzed with several structurally similar ligands, the distinct thermodynamic binding profiles provide a mechanistic perspective on how exquisite antigen specificity is achieved by the T cell receptor. PMID:20334923

Quantum thermodynamics of general quantum processes.

PubMed

Binder, Felix; Vinjanampathy, Sai; Modi, Kavan; Goold, John

2015-03-01

Accurately describing work extraction from a quantum system is a central objective for the extension of thermodynamics to individual quantum systems. The concepts of work and heat are surprisingly subtle when generalizations are made to arbitrary quantum states. We formulate an operational thermodynamics suitable for application to an open quantum system undergoing quantum evolution under a general quantum process by which we mean a completely positive and trace-preserving map. We derive an operational first law of thermodynamics for such processes and show consistency with the second law. We show that heat, from the first law, is positive when the input state of the map majorizes the output state. Moreover, the change in entropy is also positive for the same majorization condition. This makes a strong connection between the two operational laws of thermodynamics.

An assessment of thermodynamic merits for current and potential future engine operating strategies

DOE PAGES

Wissink, Martin L.; Splitter, Derek A.; Dempsey, Adam B.; ...

2017-02-01

The present work compares the fundamental thermodynamic underpinnings (i.e., working fluid properties and heat release profile) of various combustion strategies with engine measurements. The approach employs a model that separately tracks the impacts on efficiency due to differences in rate of heat addition, volume change, mass addition, and molecular weight change for a given combination of working fluid, heat release profile, and engine geometry. Comparative analysis between measured and modeled efficiencies illustrates fundamental sources of efficiency reductions or opportunities inherent to various combustion regimes. Engine operating regimes chosen for analysis include stoichiometric spark-ignited combustion and lean compression-ignited combustion including HCCI,more » SA-HCCI, RCCI, GCI, and CDC. Within each combustion regime, effects such as engine load, combustion duration, combustion phasing, combustion chamber geometry, fuel properties, and charge dilution are explored. Model findings illustrate that even in the absence of losses such as heat transfer or incomplete combustion, the maximum possible thermal efficiency inherent to each operating strategy varies to a significant degree. Additionally, the experimentally measured losses are observed to be unique within a given operating strategy. The findings highlight the fact that in order to create a roadmap for future directions in ICE technologies, it is important to not only compare the absolute real-world efficiency of a given combustion strategy, but to also examine the measured efficiency in context of what is thermodynamically possible with the working fluid and boundary conditions prescribed by a strategy.« less

An assessment of thermodynamic merits for current and potential future engine operating strategies

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

Wissink, Martin L.; Splitter, Derek A.; Dempsey, Adam B.

The present work compares the fundamental thermodynamic underpinnings (i.e., working fluid properties and heat release profile) of various combustion strategies with engine measurements. The approach employs a model that separately tracks the impacts on efficiency due to differences in rate of heat addition, volume change, mass addition, and molecular weight change for a given combination of working fluid, heat release profile, and engine geometry. Comparative analysis between measured and modeled efficiencies illustrates fundamental sources of efficiency reductions or opportunities inherent to various combustion regimes. Engine operating regimes chosen for analysis include stoichiometric spark-ignited combustion and lean compression-ignited combustion including HCCI,more » SA-HCCI, RCCI, GCI, and CDC. Within each combustion regime, effects such as engine load, combustion duration, combustion phasing, combustion chamber geometry, fuel properties, and charge dilution are explored. Model findings illustrate that even in the absence of losses such as heat transfer or incomplete combustion, the maximum possible thermal efficiency inherent to each operating strategy varies to a significant degree. Additionally, the experimentally measured losses are observed to be unique within a given operating strategy. The findings highlight the fact that in order to create a roadmap for future directions in ICE technologies, it is important to not only compare the absolute real-world efficiency of a given combustion strategy, but to also examine the measured efficiency in context of what is thermodynamically possible with the working fluid and boundary conditions prescribed by a strategy.« less

The impact of vertical shear on the sensitivity of tropical cyclogenesis to environmental rotation and thermodynamic state

DOE PAGES

Zhou, Wenyu

2015-11-19

Here, the impact of vertical wind shear on the sensitivity of tropical cyclogenesis to environmental rotation and thermodynamic state is investigated through idealized cloud-resolving simulations of the intensification of an incipient vortex. With vertical shear, tropical cyclones intensify faster with a higher Coriolis parameter, f, irrespective of the environmental thermodynamic state. The vertical shear develops a vertically tilted vortex, which undergoes a precession process with the midlevel vortices rotating cyclonically around the surface center. With a higher f, the midlevel vortices are able to rotate continuously against the vertical shear, leading to the realignment of the tilted vortex and rapidmore » intensification. With a lower f, the rotation is too slow such that the midlevel vortices are advected away from the surface center and the intensification is suppressed. The parameter, Χ b, measuring the effect from the low-entropy downdraft air on the boundary layer entropy, is found to be a good indicator of the environmental thermodynamic favorability for tropical cyclogenesis in vertical shear. Without vertical shear, tropical cyclones are found to intensify faster with a lower f by previous studies. We show this dependency on f is sensitive to the environmental thermodynamic state. The thermodynamical favorability for convection can be measured by Χ m, which estimates the time it takes for surface fluxes to moisten the midtroposphere. A smaller Χ m not only leads to a faster intensification due to a shorter period for moist preconditioning of the inner region but also neutralizes the faster intensification with a lower f due to enhanced peripheral convection.« less

The impact of vertical shear on the sensitivity of tropical cyclogenesis to environmental rotation and thermodynamic state

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

Zhou, Wenyu

Here, the impact of vertical wind shear on the sensitivity of tropical cyclogenesis to environmental rotation and thermodynamic state is investigated through idealized cloud-resolving simulations of the intensification of an incipient vortex. With vertical shear, tropical cyclones intensify faster with a higher Coriolis parameter, f, irrespective of the environmental thermodynamic state. The vertical shear develops a vertically tilted vortex, which undergoes a precession process with the midlevel vortices rotating cyclonically around the surface center. With a higher f, the midlevel vortices are able to rotate continuously against the vertical shear, leading to the realignment of the tilted vortex and rapidmore » intensification. With a lower f, the rotation is too slow such that the midlevel vortices are advected away from the surface center and the intensification is suppressed. The parameter, Χ b, measuring the effect from the low-entropy downdraft air on the boundary layer entropy, is found to be a good indicator of the environmental thermodynamic favorability for tropical cyclogenesis in vertical shear. Without vertical shear, tropical cyclones are found to intensify faster with a lower f by previous studies. We show this dependency on f is sensitive to the environmental thermodynamic state. The thermodynamical favorability for convection can be measured by Χ m, which estimates the time it takes for surface fluxes to moisten the midtroposphere. A smaller Χ m not only leads to a faster intensification due to a shorter period for moist preconditioning of the inner region but also neutralizes the faster intensification with a lower f due to enhanced peripheral convection.« less

The function profile of compressed-air and ultrasonic nebulizers.

PubMed

Wu, Hsin-Lin; Lin, Yung-Zen; Wu, Wei-Fong; Huang, Fu-Yuan

2003-01-01

In order to study the detailed function of two kinds of nebulizers commonly used in clinical asthma treatment, compressed-air and ultrasonic, this study was conducted. At the beginning, various flow rates were adjusted, paired with different volumes of solutions in the container. The changes of temperature, pH, and osmolality during the course of nebulization were examined. Normal saline, terbutaline, and fenoterol solutions were used as the nebulized solutions. The study was performed in an environment in ambient temperature around 20 degrees C and relative humidity around 70%. The results showed a minimal 6 L/min flow rate was required to nebulize the solution when using the compressed-air nebulizer. The dead volume was about 0.8 ml for compressed-air and 8.5 ml for the ultrasonic nebulizer. When using the compressed-air nebulizer, the temperature, both in the solution and at the mouthpiece site, dropped gradually. On the contrary, the temperatures at both sites increased a little bit when using the ultrasonic nebulizer. The pH values of pure terbutaline and fenoterol nebulized solutions were acidic (3.58 and 3.00 respectively). The osmolality of terbutaline and fenoterol nebulized solutions were isotonic. The osmolality increased gradually during the course of nebulization, to a greater extent in the compressed-air nebulizer. In conclusion, both types of nebulizers have their special features. The ultrasonic nebulizer displays less extent in change of temperature and osmolality during nebulization and is expected to be a better device in treating asthmatic patients in terms of lesser effect on cooling and changing the osmolality of airway mucosa.

Cloud characteristics, thermodynamic controls and radiative impacts during the Observations and Modeling of the Green Ocean Amazon (GoAmazon2014/5) experiment

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

Giangrande, Scott E.; Feng, Zhe; Jensen, Michael P.

Routine cloud, precipitation and thermodynamic observations collected by the Atmospheric Radiation Measurement (ARM) Mobile Facility (AMF) and Aerial Facility (AAF) during the 2-year US Department of Energy (DOE) ARM Observations and Modeling of the Green Ocean Amazon (GoAmazon2014/5) campaign are summarized. These observations quantify the diurnal to large-scale thermodynamic regime controls on the clouds and precipitation over the undersampled, climatically important Amazon basin region. The extended ground deployment of cloud-profiling instrumentation enabled a unique look at multiple cloud regimes at high temporal and vertical resolution. This longer-term ground deployment, coupled with two short-term aircraft intensive observing periods, allowed new opportunitiesmore » to better characterize cloud and thermodynamic observational constraints as well as cloud radiative impacts for modeling efforts within typical Amazon wet and dry seasons.« less

Cloud characteristics, thermodynamic controls and radiative impacts during the Observations and Modeling of the Green Ocean Amazon (GoAmazon2014/5) experiment

DOE PAGES

Giangrande, Scott E.; Feng, Zhe; Jensen, Michael P.; ...

2017-12-06

Routine cloud, precipitation and thermodynamic observations collected by the Atmospheric Radiation Measurement (ARM) Mobile Facility (AMF) and Aerial Facility (AAF) during the 2-year US Department of Energy (DOE) ARM Observations and Modeling of the Green Ocean Amazon (GoAmazon2014/5) campaign are summarized. These observations quantify the diurnal to large-scale thermodynamic regime controls on the clouds and precipitation over the undersampled, climatically important Amazon basin region. The extended ground deployment of cloud-profiling instrumentation enabled a unique look at multiple cloud regimes at high temporal and vertical resolution. This longer-term ground deployment, coupled with two short-term aircraft intensive observing periods, allowed new opportunitiesmore » to better characterize cloud and thermodynamic observational constraints as well as cloud radiative impacts for modeling efforts within typical Amazon wet and dry seasons.« less

Characterisation of volatile profile and sensory analysis of fresh-cut "Radicchio di Chioggia" stored in air or modified atmosphere.

PubMed

Cozzolino, Rosaria; Martignetti, Antonella; Pellicano, Mario Paolo; Stocchero, Matteo; Cefola, Maria; Pace, Bernardo; De Giulio, Beatrice

2016-02-01

The volatile profile of two hybrids of "Radicchio di Chioggia", Corelli and Botticelli, stored in air or passive modified atmosphere (MAP) during 12 days of cold storage, was monitored by solid phase micro-extraction (SPME) GC-MS. Botticelli samples were also subjected to sensory analysis. Totally, 61 volatile organic compounds (VOCs) were identified in the headspace of radicchio samples. Principal component analysis (PCA) showed that fresh product possessed a metabolic content similar to that of the MAP samples after 5 and 8 days of storage. Projection to latent structures by partial least squares (PLS) regression analysis showed the volatiles content of the samples varied depending only on the packaging conditions. Specifically, 12 metabolites describing the time evolution and explaining the effects of the different storage conditions were highlighted. Finally, a PCA analysis revealed that VOCs profile significantly correlated with sensory attributes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Thermodynamics from Car to Kitchen

ERIC Educational Resources Information Center

Auty, Geoff

2014-01-01

The historical background to the laws of thermodynamics is explained using examples we can all observe in the world around us, focusing on motorised transport, refrigeration and solar heating. This is not to be considered as an academic article. The purpose is to improve understanding of thermodynamics rather than impart new knowledge, and for…

SPECIATE--EPA'S DATABASE OF SPECIATED EMISSION PROFILES

EPA Science Inventory

SPECIATE is EPA's repository of Total Organic Compound and Particulate Matter speciated profiles for a wide variety of sources. The profiles in this system are provided for air quality dispersion modeling and as a library for source-receptor and source apportionment type models. ...

40 CFR 1066.950 - Fuel temperature profile.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 33 2014-07-01 2014-07-01 false Fuel temperature profile. 1066.950 Section 1066.950 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR POLLUTION... Test Procedures for Motor Vehicles § 1066.950 Fuel temperature profile. Develop fuel temperature...

Thermodynamic laws apply to brain function.

PubMed

Salerian, Alen J

2010-02-01

Thermodynamic laws and complex system dynamics govern brain function. Thus, any change in brain homeostasis by an alteration in brain temperature, neurotransmission or content may cause region-specific brain dysfunction. This is the premise for the Salerian Theory of Brain built upon a new paradigm for neuropsychiatric disorders: the governing influence of neuroanatomy, neurophysiology, thermodynamic laws. The principles of region-specific brain function thermodynamics are reviewed. The clinical and supporting evidence including the paradoxical effects of various agents that alter brain homeostasis is demonstrated.

Thermodynamic Volume in AdS/CFT

NASA Astrophysics Data System (ADS)

Kim, Kyung Kiu; Ahn, Byoungjoon

2018-01-01

In this note, we study on extended thermodynamics of AdS black holes by varying cosmological constant. We found and discussed pressure and volume of both bulk and boundary physics through AdS/CFT correspondence. In particular, we derive the relation between thermodynamic volume and a chemical potential for M2 brane dual to four dimensional AdS space. In addition, we show that thermodynamic volume of hyperbolic black hole is related to `entanglement pressure' coming from a generalized first law of entanglement entropy.

Inflight thermodynamic properties

NASA Technical Reports Server (NTRS)

Brown, S. C.; Daniels, G. E.; Johnson, D. L.; Smith, O. E.

1973-01-01

The inflight thermodynamic parameters (temperature, pressure, and density) of the atmosphere are presented. Mean and extreme values of the thermodynamic parameters given here can be used in application of many aerospace problems, such as: (1) research and planning and engineering design of remote earth sensing systems; (2) vehicle design and development; and (3) vehicle trajectory analysis, dealing with vehicle thrust, dynamic pressure, aerodynamic drag, aerodynamic heating, vibration, structural and guidance limitations, and reentry analysis. Atmospheric density plays a very important role in most of the above problems. A subsection on reentry is presented, giving atmospheric models to be used for reentry heating, trajectory, etc., analysis.

The Theory of Thermodynamic Systems with Internal Variables of State: Necessary and Sufficient Conditions for Compliance with the Second Law of Thermodynamics

NASA Astrophysics Data System (ADS)

Shnip, A. I.

2018-01-01

Based on the entropy-free thermodynamic approach, a generalized theory of thermodynamic systems with internal variables of state is being developed. For the case of nonlinear thermodynamic systems with internal variables of state and linear relaxation, the necessary and sufficient conditions have been proved for fulfillment of the second law of thermodynamics in entropy-free formulation which, according to the basic theorem of the theory, are also necessary and sufficient for the existence of a thermodynamic potential. Moreover, relations of correspondence between thermodynamic systems with memory and systems with internal variables of state have been established, as well as some useful relations in the spaces of states of both types of systems.

Thermodynamic limits for solar energy conversion by a quantum-thermal hybrid system

NASA Technical Reports Server (NTRS)

Byvik, C. E.; Buoncristiani, A. M.; Smith, B. T.

1981-01-01

The limits are presented fo air mass 1.5 conditions. A maximum conversion efficiency of 74 percent is thermodynamically achievable for the quantum device operating at 3500 K and the heat engine in contact with a reservoir at 0 K. The efficiency drops to 56 percent for a cold reservoir at approximately room temperature conditions. Hybrid system efficiencies exceed 50 percent over receiver temperatures ranging from 1400 K to 4000 K, suggesting little benefit is gained in operating the system above 1400 K. The results are applied to a system consisting of a photovoltaic solar cell in series with a heat engine.

Investigation of the emissions and profiles of a wide range of VOCs during the Clean air for London project

NASA Astrophysics Data System (ADS)

Holmes, Rachel; Lidster, Richard; Hamilton, Jacqueline; Lee, James; Hopkins, James; Whalley, Lisa; Lewis, Alistair

2014-05-01

The majority of the World's population live in polluted urbanized areas. Poor air quality is shortening life expectancy of people in the UK by an average 7-8 months and costs society around £20 billion per year.[1] Despite this, our understanding of atmospheric processing in urban environments and its effect on air quality is incomplete. Air quality models are used to predict how air quality changes given different concentrations of pollution precursors, such as volatile organic compounds (VOCs). The urban environment of megacities pose a unique challenge for air quality measurements and modelling, due to high population densities, pollution levels and complex infrastructure. For over 60 years the air quality in London has been monitored, however the existing measurements are limited to a small group of compounds. In order to fully understand the chemical and physical processes that occur in London, more intensive and comprehensive measurements should be made. The Clean air for London (ClearfLo) project was conducted to investigate the air quality, in particular the boundary layer pollution, of London. A relatively new technique, comprehensive two dimensional gas chromatography (GC×GC) [2] was combined with a well-established dual channel GC (DC-GC) [3] system to provide a more comprehensive measurement of VOCs. A total of 78 individual VOCs (36 aliphatics, 19 monoaromatics, 21 oxygenated and 2 halogenated) and 10 groups of VOCs (8 aliphatic, 1 monoaromatic and 1 monoterpene) from C1-C13+ were quantified. Seasonal and diurnal profiles of these VOCs have been found which show the influence of emission source and chemical processing. Including these extra VOCs should enhance the prediction capability of air quality models thus informing policy makers on how to potentially improve air quality in megacities. References 1. House of Commons Environmental Audit Committee, Air Quality: A follow-up report, Ninth Report of session 2012-12. 2. Lidster, R.T., J.F. Hamilton

The building loads analysis system thermodynamics (BLAST) program, Version 2. 0: input booklet. Final report

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

Sowell, E.

1979-06-01

The Building Loads Analysis and System Thermodynamics (BLAST) program is a comprehensive set of subprograms for predicting energy consumption in buildings. There are three major subprograms: (1) the space load predicting subprogram, which computes hourly space loads in a building or zone based on user input and hourly weather data; (2) the air distribution system simulation subprogram, which uses the computed space load and user inputs describing the building air-handling system to calculate hot water or steam, chilled water, and electric energy demands; and (3) the central plant simulation program, which simulates boilers, chillers, onsite power generating equipment and solarmore » energy systems and computes monthly and annual fuel and electrical power consumption and plant life cycle cost.« less

Thermodynamics of urban population flows.

PubMed

Hernando, A; Plastino, A

2012-12-01

Orderliness, reflected via mathematical laws, is encountered in different frameworks involving social groups. Here we show that a thermodynamics can be constructed that macroscopically describes urban population flows. Microscopic dynamic equations and simulations with random walkers underlie the macroscopic approach. Our results might be regarded, via suitable analogies, as a step towards building an explicit social thermodynamics.

The Thermodynamics of Black Holes.

PubMed

Wald, Robert M

2001-01-01

We review the present status of black hole thermodynamics. Our review includes discussion of classical black hole thermodynamics, Hawking radiation from black holes, the generalized second law, and the issue of entropy bounds. A brief survey also is given of approaches to the calculation of black hole entropy. We conclude with a discussion of some unresolved open issues.

Upper Ocean Profiles Measurements with ASIP

NASA Astrophysics Data System (ADS)

Ward, B.; Callaghan, A. H.; Fristedt, T.; Vialard, J.; Cuypers, Y.; Weller, R. A.; Grosch, C. E.

2009-04-01

This presentation describes results from the Air-Sea Interaction Profiler (ASIP), an autonomous profiling instrument for upper ocean measurements. The measurements from ASIP are well suited to enhancing research on air-sea interfacial and near surface processes. Autonomous profiling is accomplished with a thruster, which submerges ASIP to a programmed depth. Once this depth is reached the positively buoyant instrument will ascend to the surface acquiring data. ASIP can profile from a maximum depth of 100 m to the surface, allowing both mixed layer and near-surface measurements to be conducted. The sensor payload on ASIP include microstructure sensors (two shear probes and a thermistor); a slow response accurate thermometer; a pair of conductivity sensors; pressure for a record of depth; PAR for measurements of light absorption in the water column. Other non-environmental sensors are acceleration, rate, and heading for determination of vehicle motion. Power is provided with rechargable lithium-ion batteries, supplying 1000 Whr, allowing approximately 300 profiles. ASIP also contains an iridium/GPS system, which allows realtime reporting of its position. ASIP was deployed extensively during the Cirene Indian Ocean campaign and our results focus on the data from the temperature, salinity, light, and shear sensors.

Water gun vs air gun: A comparison

USGS Publications Warehouse

Hutchinson, D.R.; Detrick, R. S.

1984-01-01

The water gun is a relatively new marine seismic sound source that produces an acoustic signal by an implosive rather than explosive mechanism. A comparison of the source characteristics of two different-sized water guns with those of conventional air guns shows the the water gun signature is cleaner and much shorter than that of a comparable-sized air gun: about 60-100 milliseconds (ms) for an 80-in3. (1.31-liter (I)) water gun compared with several hundred ms for an 80-in3. (1.31-1) air gun. The source spectra of water guns are richer in high frequencies (>200 Hz) than are those of air guns, but they also have less energy than those of air guns at low frequencies. A comparison between water gun and air gun reflection profiles in both shallow (Long Island Sound)-and deep (western Bermuda Rise)-water settings suggests that the water gun offers a good compromise between very high resolution, limited penetration systems (e.g. 3.5-kHz profilers and sparkers) and the large volume air guns and tuned air gun arrays generally used where significant penetration is required. ?? 1984 D. Reidel Publishing Company.

A Thermodynamic Theory of Solid Viscoelasticity. Part II:; Nonlinear Thermo-viscoelasticity

NASA Technical Reports Server (NTRS)

Freed, Alan D.; Leonov, Arkady I.; Gray, Hugh R. (Technical Monitor)

2002-01-01

This paper, second in the series of three papers, develops a general, nonlinear, non-isothermal, compressible theory for finite rubber viscoelasticity and specifies it in a form convenient for solving problems important to the rubber, tire, automobile, and air-space industries, among others. Based on the quasi-linear approach of non-equilibrium thermodynamics, a general nonlinear theory of differential type has been developed for arbitrary non-isothermal deformations of viscoelastic solids. In this theory, the constitutive equations were presented as the sum of a rubber elastic (equilibrium) and a liquid type viscoelastic (non-equilibrium) terms. These equations have then been simplified using several modeling and simplicity arguments.

Information thermodynamics of near-equilibrium computation

NASA Astrophysics Data System (ADS)

Prokopenko, Mikhail; Einav, Itai

2015-06-01

In studying fundamental physical limits and properties of computational processes, one is faced with the challenges of interpreting primitive information-processing functions through well-defined information-theoretic as well as thermodynamic quantities. In particular, transfer entropy, characterizing the function of computational transmission and its predictability, is known to peak near critical regimes. We focus on a thermodynamic interpretation of transfer entropy aiming to explain the underlying critical behavior by associating information flows intrinsic to computational transmission with particular physical fluxes. Specifically, in isothermal systems near thermodynamic equilibrium, the gradient of the average transfer entropy is shown to be dynamically related to Fisher information and the curvature of system's entropy. This relationship explicitly connects the predictability, sensitivity, and uncertainty of computational processes intrinsic to complex systems and allows us to consider thermodynamic interpretations of several important extreme cases and trade-offs.

Local flow management/profile descent algorithm. Fuel-efficient, time-controlled profiles for the NASA TSRV airplane

NASA Technical Reports Server (NTRS)

Groce, J. L.; Izumi, K. H.; Markham, C. H.; Schwab, R. W.; Thompson, J. L.

1986-01-01

The Local Flow Management/Profile Descent (LFM/PD) algorithm designed for the NASA Transport System Research Vehicle program is described. The algorithm provides fuel-efficient altitude and airspeed profiles consistent with ATC restrictions in a time-based metering environment over a fixed ground track. The model design constraints include accommodation of both published profile descent procedures and unpublished profile descents, incorporation of fuel efficiency as a flight profile criterion, operation within the performance capabilities of the Boeing 737-100 airplane with JT8D-7 engines, and conformity to standard air traffic navigation and control procedures. Holding and path stretching capabilities are included for long delay situations.

The discovery of thermodynamics

NASA Astrophysics Data System (ADS)

Weinberger, Peter

2013-07-01

Based on the idea that a scientific journal is also an "agora" (Greek: market place) for the exchange of ideas and scientific concepts, the history of thermodynamics between 1800 and 1910 as documented in the Philosophical Magazine Archives is uncovered. Famous scientists such as Joule, Thomson (Lord Kelvin), Clausius, Maxwell or Boltzmann shared this forum. Not always in the most friendly manner. It is interesting to find out, how difficult it was to describe in a scientific (mathematical) language a phenomenon like "heat", to see, how long it took to arrive at one of the fundamental principles in physics: entropy. Scientific progress started from the simple rule of Boyle and Mariotte dating from the late eighteenth century and arrived in the twentieth century with the concept of probabilities. Thermodynamics was the driving intellectual force behind the industrial revolution, behind the enormous social changes caused by this revolution. The history of thermodynamics is a fascinating story, which also gives insights into the mechanism that seem to govern science.

Thermodynamics of Biological Processes

PubMed Central

Garcia, Hernan G.; Kondev, Jane; Orme, Nigel; Theriot, Julie A.; Phillips, Rob

2012-01-01

There is a long and rich tradition of using ideas from both equilibrium thermodynamics and its microscopic partner theory of equilibrium statistical mechanics. In this chapter, we provide some background on the origins of the seemingly unreasonable effectiveness of ideas from both thermodynamics and statistical mechanics in biology. After making a description of these foundational issues, we turn to a series of case studies primarily focused on binding that are intended to illustrate the broad biological reach of equilibrium thinking in biology. These case studies include ligand-gated ion channels, thermodynamic models of transcription, and recent applications to the problem of bacterial chemotaxis. As part of the description of these case studies, we explore a number of different uses of the famed Monod–Wyman–Changeux (MWC) model as a generic tool for providing a mathematical characterization of two-state systems. These case studies should provide a template for tailoring equilibrium ideas to other problems of biological interest. PMID:21333788

The role of thermodynamics in biochemical engineering

NASA Astrophysics Data System (ADS)

von Stockar, Urs

2013-09-01

This article is an adapted version of the introductory chapter of a book whose publication is imminent. It bears the title "Biothermodynamics - The role of thermodynamics in biochemical engineering." The aim of the paper is to give a very short overview of the state of biothermodynamics in an engineering context as reflected in this book. Seen from this perspective, biothermodynamics may be subdivided according to the scale used to formalize the description of the biological system into three large areas: (i) biomolecular thermodynamics (most fundamental scale), (ii) thermodynamics of metabolism (intermediary scale), and (iii) whole-cell thermodynamics ("black-box" description of living entities). In each of these subareas, the main available theoretical approaches and the current and the potential applications are discussed. Biomolecular thermodynamics (i) is especially well developed and is obviously highly pertinent for the development of downstream processing. Its use ought to be encouraged as much as possible. The subarea of thermodynamics of live cells (iii), although scarcely applied in practice, is also expected to enhance bioprocess research and development, particularly in predicting culture performances, for understanding the driving forces for cellular growth, and in developing, monitoring, and controlling cellular cultures. Finally, there is no question that thermodynamic analysis of cellular metabolism (ii) is a promising tool for systems biology and for many other applications, but quite a large research effort is still needed before it may be put to practical use.

Statistical thermodynamics of clustered populations.

PubMed

Matsoukas, Themis

2014-08-01

We present a thermodynamic theory for a generic population of M individuals distributed into N groups (clusters). We construct the ensemble of all distributions with fixed M and N, introduce a selection functional that embodies the physics that governs the population, and obtain the distribution that emerges in the scaling limit as the most probable among all distributions consistent with the given physics. We develop the thermodynamics of the ensemble and establish a rigorous mapping to regular thermodynamics. We treat the emergence of a so-called giant component as a formal phase transition and show that the criteria for its emergence are entirely analogous to the equilibrium conditions in molecular systems. We demonstrate the theory by an analytic model and confirm the predictions by Monte Carlo simulation.

Development of Thermodynamic Conceptual Evaluation

NASA Astrophysics Data System (ADS)

Talaeb, P.; Wattanakasiwich, P.

2010-07-01

This research aims to develop a test for assessing student understanding of fundamental principles in thermodynamics. Misconceptions found from previous physics education research were used to develop the test. Its topics include heat and temperature, the zeroth and the first law of thermodynamics, and the thermodynamics processes. The content validity was analyzed by three physics experts. Then the test was administered to freshmen, sophomores and juniors majored in physics in order to determine item difficulties and item discrimination of the test. A few items were eliminated from the test. Finally, the test will be administered to students taking Physics I course in order to evaluate the effectiveness of Interactive Lecture Demonstrations that will be used for the first time at Chiang Mai University.

Size- and shape-dependent surface thermodynamic properties of nanocrystals

NASA Astrophysics Data System (ADS)

Fu, Qingshan; Xue, Yongqiang; Cui, Zixiang

2018-05-01

As the fundamental properties, the surface thermodynamic properties of nanocrystals play a key role in the physical and chemical changes. However, it remains ambiguous about the quantitative influence regularities of size and shape on the surface thermodynamic properties of nanocrystals. Thus by introducing interface variables into the Gibbs energy and combining Young-Laplace equation, relations between the surface thermodynamic properties (surface Gibbs energy, surface enthalpy, surface entropy, surface energy and surface heat capacity), respectively, and size of nanocrystals with different shapes were derived. Theoretical estimations of the orders of the surface thermodynamic properties of nanocrystals agree with available experimental values. Calculated results of the surface thermodynamic properties of Au, Bi and Al nanocrystals suggest that when r > 10 nm, the surface thermodynamic properties linearly vary with the reciprocal of particle size, and when r < 10 nm, the effect of particle size on the surface thermodynamic properties becomes greater and deviates from linear variation. For nanocrystals with identical equivalent diameter, the more the shape deviates from sphere, the larger the surface thermodynamic properties (absolute value) are.

Cantera and Cantera Electrolyte Thermodynamics Objects

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

John Hewson, Harry Moffat

Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It is a multi-organizational effort to create and formulate high quality 0D and 1D constitutive modeling tools for reactive transport codes.Institutions involved with the effort include Sandia, MIT, Colorado School of Mines, U. Texas, NASA, and Oak Ridge National Labs. Specific to Sandia's contributions, the Cantera Electrolyte Thermo Objects (CETO) packages is comprised of add-on routines for Cantera that handle electrolyte thermochemistry and reactions within the overall Cantera package. Cantera is a C++ Cal Tech code that handles gas phase species transport, reaction,more » and thermodynamics. With this addition, Cantera can be extended to handle problems involving liquid phase reactions and transport in electrolyte systems, and phase equilibrium problemsinvolving concentrated electrolytes and gas/solid phases. A full treatment of molten salt thermodynamics and transport has also been implemented in CETO. The routines themselves consist of .cpp and .h files containing C++ objects that are derived from parent Cantera objects representing thermodynamic functions. They are linked unto the main Cantera libraries when requested by the user. As an addendum to the main thermodynamics objects, several utility applications are provided. The first is multiphase Gibbs free energy minimizer based on the vcs algorithm, called vcs_cantera. This code allows for the calculation of thermodynamic equilibrium in multiple phases at constant temperature and pressure. Note, a similar code capability exists already in Cantera. This version follows the same algorithm, but gas a different code-base starting point, and is used as a research tool for algorithm development. The second program, cttables, prints out tables of thermodynamic and kinetic information for thermodynamic and kinetic objects within Cantera. This program serves as a "Get the

Mechanics, Waves and Thermodynamics

NASA Astrophysics Data System (ADS)

Ranjan Jain, Sudhir

2016-05-01

Figures; Preface; Acknowledgement; 1. Energy, mass, momentum; 2. Kinematics, Newton's laws of motion; 3. Circular motion; 4. The principle of least action; 5. Work and energy; 6. Mechanics of a system of particles; 7. Friction; 8. Impulse and collisions; 9. Central forces; 10. Dimensional analysis; 11. Oscillations; 12. Waves; 13. Sound of music; 14. Fluid mechanics; 15. Water waves; 16. The kinetic theory of gases; 17. Concepts and laws of thermodynamics; 18. Some applications of thermodynamics; 19. Basic ideas of statistical mechanics; Bibliography; Index.

Thermodynamics of micellization from heat-capacity measurements.

PubMed

Šarac, Bojan; Bešter-Rogač, Marija; Lah, Jurij

2014-06-23

Differential scanning calorimetry (DSC), the most important technique for studying the thermodynamics of structural transitions of biological macromolecules, is seldom used in quantitative thermodynamic studies of surfactant micellization/demicellization. The reason for this could be ascribed to an insufficient understanding of the temperature dependence of the heat capacity of surfactant solutions (DSC data) in terms of thermodynamics, which leads to problems with the design of experiments and interpretation of the output signals. We address these issues by careful design of DSC experiments performed with solutions of ionic and nonionic surfactants at various surfactant concentrations, and individual and global mass-action model analysis of the obtained DSC data. Our approach leads to reliable thermodynamic parameters of micellization for all types of surfactants, comparable with those obtained by using isothermal titration calorimetry (ITC). In summary, we demonstrate that DSC can be successfully used as an independent method to obtain temperature-dependent thermodynamic parameters for micellization. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An Experimental Determination of Thermodynamic Values

ERIC Educational Resources Information Center

Antony, Erling; Muccianti, Christine; Vogel, Tracy

2012-01-01

Measurements have been added to an old demonstration of chemical equilibria allowing the determination of thermodynamic constants. The experiment allows the students an opportunity to merge qualitative observations associated with Le Chatelier's principle and thermodynamic calculations using graphical techniques. (Contains 4 figures.)

Irreversible thermodynamics of Poisson processes with reaction.

PubMed

Méndez, V; Fort, J

1999-11-01

A kinetic model is derived to study the successive movements of particles, described by a Poisson process, as well as their generation. The irreversible thermodynamics of this system is also studied from the kinetic model. This makes it possible to evaluate the differences between thermodynamical quantities computed exactly and up to second-order. Such differences determine the range of validity of the second-order approximation to extended irreversible thermodynamics.

Predictive thermodynamics for ionic solids and liquids.

PubMed

Glasser, Leslie; Jenkins, H Donald Brooke

2016-08-21

The application of thermodynamics is simple, even if the theory may appear intimidating. We describe tools, developed over recent years, which make it easy to estimate often elusive thermodynamic parameter values, generally (but not exclusively) for ionic materials, both solid and liquid, as well as for their solid hydrates and solvates. The tools are termed volume-based thermodynamics (VBT) and thermodynamic difference rules (TDR), supplemented by the simple salt approximation (SSA) and single-ion values for volume, Vm, heat capacity, , entropy, , formation enthalpy, ΔfH°, and Gibbs formation energy, ΔfG°. These tools can be applied to provide values of thermodynamic and thermomechanical properties such as standard enthalpy of formation, ΔfH°, standard entropy, , heat capacity, Cp, Gibbs function of formation, ΔfG°, lattice potential energy, UPOT, isothermal expansion coefficient, α, and isothermal compressibility, β, and used to suggest the thermodynamic feasibility of reactions among condensed ionic phases. Because many of these methods yield results largely independent of crystal structure, they have been successfully extended to the important and developing class of ionic liquids as well as to new and hypothesised materials. Finally, these predictive methods are illustrated by application to K2SnCl6, for which known experimental results are available for comparison. A selection of applications of VBT and TDR is presented which have enabled input, usually in the form of thermodynamics, to be brought to bear on a range of topical problems. Perhaps the most significant advantage of VBT and TDR methods is their inherent simplicity in that they do not require a high level of computational expertise nor expensive high-performance computation tools - a spreadsheet will usually suffice - yet the techniques are extremely powerful and accessible to non-experts. The connection between formula unit volume, Vm, and standard thermodynamic parameters represents a

Simulating Metabolism with Statistical Thermodynamics

PubMed Central

Cannon, William R.

2014-01-01

New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed. PMID:25089525

Simulating metabolism with statistical thermodynamics.

PubMed

Cannon, William R

2014-01-01

New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed.

Binding thermodynamics discriminates fragments from druglike compounds: a thermodynamic description of fragment-based drug discovery.

PubMed

Williams, Glyn; Ferenczy, György G; Ulander, Johan; Keserű, György M

2017-04-01

Small is beautiful - reducing the size and complexity of chemical starting points for drug design allows better sampling of chemical space, reveals the most energetically important interactions within protein-binding sites and can lead to improvements in the physicochemical properties of the final drug. The impact of fragment-based drug discovery (FBDD) on recent drug discovery projects and our improved knowledge of the structural and thermodynamic details of ligand binding has prompted us to explore the relationships between ligand-binding thermodynamics and FBDD. Information on binding thermodynamics can give insights into the contributions to protein-ligand interactions and could therefore be used to prioritise compounds with a high degree of specificity in forming key interactions. Copyright © 2016 Elsevier Ltd. All rights reserved.

Using Rubber-Elastic Material-Ideal Gas Analogies To Teach Introductory Thermodynamics. Part II: The Laws of Thermodynamics.

ERIC Educational Resources Information Center

Smith, Brent

2002-01-01

Describes the laws of thermodynamics as a supplement to an introductory thermodynamics undergraduate course. Uses rubber-elastic materials (REM) which have strong analogies to the concept of ideal gas. Provides examples of the analogies between ideal gas and REM and mathematical analogies. (YDS)

Matrix-specific distribution and diastereomeric profiles of hexabromocyclododecane (HBCD) in a multimedia environment: Air, soil, sludge, sediment, and fish.

PubMed

Jo, Hyeyeong; Son, Min-Hui; Seo, Sung-Hee; Chang, Yoon-Seok

2017-07-01

Hexabromocyclododecane (HBCD) contamination and its diastereomeric profile were investigated in a multi-media environment along a river at the local scale in air, soil, sludge, sediment, and fish samples. The spatial distribution of HBCD in each matrix showed a different result. The highest concentrations of HBCD in air and soil were detected near a general industrial complex; in the sediment and sludge samples, they were detected in the down-stream region (i.e., urban area). Each matrix showed the specific distribution patterns of HBCD diastereomers, suggesting continuous inputs of contaminants, different physicochemical properties, or isomerizations. The particle phases in air, sludge, and fish matrices were dominated by α-HBCD, owing to HBCD's various isomerization processes and different degradation rate in the environment, and metabolic capabilities of the fish; in contrast, the sediment and soil matrices were dominated by γ-HBCD because of the major composition of the technical mixtures and the strong adsorption onto solid particles. Based on these results, the prevalent and matrix-specific distribution of HBCD diastereomers suggested that more careful consideration should be given to the characteristics of the matrices and their effects on the potential influence of HBCD at the diastereomeric level. Copyright © 2017 Elsevier Ltd. All rights reserved.

Vertical profile of H 2SO 4 vapor at 70-110 km on Venus and some related problems

NASA Astrophysics Data System (ADS)

Krasnopolsky, Vladimir A.

2011-09-01

The vertical profile of H 2SO 4 vapor is calculated using current atmospheric and thermodynamic data. The atmospheric data include the H 2O profiles observed at 70-112 km by the SOIR solar occultations, the SPICAV-UV profiles of the haze extinction at 220 nm, the VeRa temperature profiles, and a typical profile of eddy diffusion. The thermodynamic data are the saturated vapor pressures of H 2O and H 2SO 4 and chemical potentials of these species in sulfuric acid solutions. The calculated concentration of sulfuric acid in the cloud droplets varies from 85% at 70 km to a minimum of 70% at 90 km and then gradually increasing to 90-100% at 110 km. The H 2SO 4 vapor mixing ratio is ˜10 -12 at 70 and 110 km with a deep minimum of 3 × 10 -18 at 88 km. The H 2O-H 2SO 4 system matches the local thermodynamic equilibrium conditions up to 87 km. The column photolysis rate of H 2SO 4 is 1.6 × 10 5 cm -2 s -1 at 70 km and 23 cm -2 s -1 at 90 km. The calculated abundance of H 2SO 4 vapor at 90-110 km and its photolysis rate are smaller than those presented in the recent model by Zhang et al. (Zhang, X., Liang, M.C., Montmessin, F., Bertaux, J.L., Parkinson, C., Yung, Y.L. [2010]. Nat. Geosci. 3, 834-837) by factors of 10 6 and 10 9, respectively. Assumptions of 100% sulfuric acid, local thermodynamic equilibrium, too warm atmosphere, supersaturation of H 2SO 4 (impossible for a source of SO X), and cross sections for H 2SO 4·H 2O (impossible above the pure H 2SO 4) are the main reasons of this huge difference. Significant differences and contradictions between the SPICAV-UV, SOIR, and ground-based submillimeter observations of SO X at 70-110 km are briefly discussed and some weaknesses are outlined. The possible source of high altitude SO X on Venus remains unclear and probably does not exist.

Improved Impact of Atmospheric Infrared Sounder (AIRS) Radiance Assimilation in Numerical Weather Prediction

NASA Technical Reports Server (NTRS)

Zavodsky, Bradley; Chou, Shih-Hung; Jedlovec, Gary

2012-01-01

Improvements to global and regional numerical weather prediction (NWP) have been demonstrated through assimilation of data from NASA s Atmospheric Infrared Sounder (AIRS). Current operational data assimilation systems use AIRS radiances, but impact on regional forecasts has been much smaller than for global forecasts. Retrieved profiles from AIRS contain much of the information that is contained in the radiances and may be able to reveal reasons for this reduced impact. Assimilating AIRS retrieved profiles in an identical analysis configuration to the radiances, tracking the quantity and quality of the assimilated data in each technique, and examining analysis increments and forecast impact from each data type can yield clues as to the reasons for the reduced impact. By doing this with regional scale models individual synoptic features (and the impact of AIRS on these features) can be more easily tracked. This project examines the assimilation of hyperspectral sounder data used in operational numerical weather prediction by comparing operational techniques used for AIRS radiances and research techniques used for AIRS retrieved profiles. Parallel versions of a configuration of the Weather Research and Forecasting (WRF) model with Gridpoint Statistical Interpolation (GSI) that mimics the analysis methodology, domain, and observational datasets for the regional North American Mesoscale (NAM) model run at the National Centers for Environmental Prediction (NCEP)/Environmental Modeling Center (EMC) are run to examine the impact of each type of AIRS data set. The first configuration will assimilate the AIRS radiance data along with other conventional and satellite data using techniques implemented within the operational system; the second configuration will assimilate AIRS retrieved profiles instead of AIRS radiances in the same manner. Preliminary results of this study will be presented and focus on the analysis impact of the radiances and profiles for selected cases.

Simulated pressure denaturation thermodynamics of ubiquitin.

PubMed

Ploetz, Elizabeth A; Smith, Paul E

2017-12-01

Simulations of protein thermodynamics are generally difficult to perform and provide limited information. It is desirable to increase the degree of detail provided by simulation and thereby the potential insight into the thermodynamic properties of proteins. In this study, we outline how to analyze simulation trajectories to decompose conformation-specific, parameter free, thermodynamically defined protein volumes into residue-based contributions. The total volumes are obtained using established methods from Fluctuation Solution Theory, while the volume decomposition is new and is performed using a simple proximity method. Native and fully extended ubiquitin are used as the test conformations. Changes in the protein volumes are then followed as a function of pressure, allowing for conformation-specific protein compressibility values to also be obtained. Residue volume and compressibility values indicate significant contributions to protein denaturation thermodynamics from nonpolar and coil residues, together with a general negative compressibility exhibited by acidic residues. Copyright © 2017 Elsevier B.V. All rights reserved.

Geometry and Thermodynamics: Exploring the Internal Energy Landscape

ERIC Educational Resources Information Center

Hantsaridou, A. P.; Polatoglou, H. M.

2006-01-01

If we look into the past we will discover that the teachers of thermodynamics were always trying to interpret an important part of their science by using geometry. The relation between geometry and thermodynamics is of great interest and importance in teaching thermodynamics. This article examines the way undergraduate students of thermodynamics…

Characterization of the kinetic and thermodynamic landscape of RNA folding using a novel application of isothermal titration calorimetry

PubMed Central

Vander Meulen, Kirk A.; Butcher, Samuel E.

2012-01-01

A novel isothermal titration calorimetry (ITC) method was applied to investigate RNA helical packing driven by the GAAA tetraloop–receptor interaction in magnesium and potassium solutions. Both the kinetics and thermodynamics were obtained in individual ITC experiments, and analysis of the kinetic data over a range of temperatures provided Arrhenius activation energies (ΔH‡) and Eyring transition state entropies (ΔS‡). The resulting rich dataset reveals strongly contrasting kinetic and thermodynamic profiles for this RNA folding system when stabilized by potassium versus magnesium. In potassium, association is highly exothermic (ΔH25°C = −41.6 ± 1.2 kcal/mol in 150 mM KCl) and the transition state is enthalpically barrierless (ΔH‡ = −0.6 ± 0.5). These parameters are sigificantly positively shifted in magnesium (ΔH25°C = −20.5 ± 2.1 kcal/mol, ΔH‡ = 7.3 ± 2.2 kcal/mol in 0.5 mM MgCl2). Mixed salt solutions approximating physiological conditions exhibit an intermediate thermodynamic character. The cation-dependent thermodynamic landscape may reflect either a salt-dependent unbound receptor conformation, or alternatively and more generally, it may reflect a small per-cation enthalpic penalty associated with folding-coupled magnesium uptake. PMID:22058128

Validation of selected analytical methods using accuracy profiles to assess the impact of a Tobacco Heating System on indoor air quality.

PubMed

Mottier, Nicolas; Tharin, Manuel; Cluse, Camille; Crudo, Jean-René; Lueso, María Gómez; Goujon-Ginglinger, Catherine G; Jaquier, Anne; Mitova, Maya I; Rouget, Emmanuel G R; Schaller, Mathieu; Solioz, Jennifer

2016-09-01

Studies in environmentally controlled rooms have been used over the years to assess the impact of environmental tobacco smoke on indoor air quality. As new tobacco products are developed, it is important to determine their impact on air quality when used indoors. Before such an assessment can take place it is essential that the analytical methods used to assess indoor air quality are validated and shown to be fit for their intended purpose. Consequently, for this assessment, an environmentally controlled room was built and seven analytical methods, representing eighteen analytes, were validated. The validations were carried out with smoking machines using a matrix-based approach applying the accuracy profile procedure. The performances of the methods were compared for all three matrices under investigation: background air samples, the environmental aerosol of Tobacco Heating System THS 2.2, a heat-not-burn tobacco product developed by Philip Morris International, and the environmental tobacco smoke of a cigarette. The environmental aerosol generated by the THS 2.2 device did not have any appreciable impact on the performances of the methods. The comparison between the background and THS 2.2 environmental aerosol samples generated by smoking machines showed that only five compounds were higher when THS 2.2 was used in the environmentally controlled room. Regarding environmental tobacco smoke from cigarettes, the yields of all analytes were clearly above those obtained with the other two air sample types. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

Effect of Nd doping on structural, dielectric and thermodynamic properties of PZT (65/35) ceramic

NASA Astrophysics Data System (ADS)

Mohiddon, Md Ahamad; Kumar, Abhishek; Yadav, K. L.

2007-05-01

The influence of neodymium (Nd) addition on the phase formation and dielectric properties of Pb(Zr 0.65Ti 0.35)O 3 composition prepared from mixed oxide method was analyzed. Pellets were sintered in air and PbZrO 3 (PZ) atmosphere separately. Non-perovskite ZrO 2 phase was observed in samples which were sintered in air, also grain size was found to decrease with Nd doping in non-PZ environment samples. Decrease in transition temperature by 80 °C with increasing Nd concentration was observed in both set of samples. Maximum dielectric constant and dielectric losses are found to decrease with Nd doping. Complex impedance analysis revealed that grain boundary resistance increases with Nd doping. Thermodynamic parameters such as change in enthalpy, free energy and change in entropy were studied.

Assimilation of Wind Profiles from Multiple Doppler Radar Wind Profilers for Space Launch Vehicle Applications

NASA Technical Reports Server (NTRS)

Decker, Ryan K.; Walker, John R.; Barbre, Robert E., Jr.; Leach, Richard D.

2015-01-01

Atmospheric wind data are required by space launch vehicles in order to assess flight vehicle loads and performance on day-of-launch. Space launch ranges at NASA's Kennedy Space Center co-located with the United States Air Force's (USAF) Eastern Range (ER) at Cape Canaveral Air Force Station and USAF's Western Range (WR) at Vandenberg Air Force Base have extensive networks of in-situ and remote sensing instrumentation to measure atmospheric winds. Each instrument's technique to measure winds has advantages and disadvantages in regards to use within vehicle trajectory analyses. Balloons measure wind at all altitudes necessary for vehicle assessments, but two primary disadvantages exist when applying balloon output. First, balloons require approximately one hour to reach required altitudes. Second, balloons are steered by atmospheric winds down range of the launch site that could significantly differ from those winds along the vehicle ascent trajectory. These issues are mitigated by use of vertically pointing Doppler Radar Wind Profilers (DRWPs). However, multiple DRWP instruments are required to provide wind data over altitude ranges necessary for vehicle trajectory assessments. The various DRWP systems have different operating configurations resulting in different temporal and spatial sampling intervals. Therefore, software was developed to combine data from both DRWP-generated profiles into a single profile for use in vehicle trajectory analyses. This paper will present details of the splicing software algorithms and will provide sample output.

Stories to Make Thermodynamics and Related Subjects More Palatable

NASA Astrophysics Data System (ADS)

Bartell, Lawrence S.

2001-08-01

A collection of vignettes either recounting the personalities of some of the architects of thermodynamics or noting steps and missteps in the development of thermodynamics and the kinetic theory is combined with a set of stories illustrating thermodynamic principles. These offerings turned out to be much more easily remembered by students and were more effective in conveying certain points than a direct, unadorned exposition of thermodynamic laws and applications. For one thing, the stories kept the students awake and receptive to ideas. Students had invariably entered the class having heard horror stories about how tedious and impossibly difficult thermodynamics courses are.

Quantum thermodynamics: a nonequilibrium Green's function approach.

PubMed

Esposito, Massimiliano; Ochoa, Maicol A; Galperin, Michael

2015-02-27

We establish the foundations of a nonequilibrium theory of quantum thermodynamics for noninteracting open quantum systems strongly coupled to their reservoirs within the framework of the nonequilibrium Green's functions. The energy of the system and its coupling to the reservoirs are controlled by a slow external time-dependent force treated to first order beyond the quasistatic limit. We derive the four basic laws of thermodynamics and characterize reversible transformations. Stochastic thermodynamics is recovered in the weak coupling limit.

Thermodynamic-ensemble independence of solvation free energy.

PubMed

Chong, Song-Ho; Ham, Sihyun

2015-02-10

Solvation free energy is the fundamental thermodynamic quantity in solution chemistry. Recently, it has been suggested that the partial molar volume correction is necessary to convert the solvation free energy determined in different thermodynamic ensembles. Here, we demonstrate ensemble-independence of the solvation free energy on general thermodynamic grounds. Theoretical estimates of the solvation free energy based on the canonical or grand-canonical ensemble are pertinent to experiments carried out under constant pressure without any conversion.

Quantum thermodynamics of nanoscale steady states far from equilibrium

NASA Astrophysics Data System (ADS)

Taniguchi, Nobuhiko

2018-04-01

We develop an exact quantum thermodynamic description for a noninteracting nanoscale steady state that couples strongly with multiple reservoirs. We demonstrate that there exists a steady-state extension of the thermodynamic function that correctly accounts for the multiterminal Landauer-Büttiker formula of quantum transport of charge, energy, or heat via the nonequilibrium thermodynamic relations. Its explicit form is obtained for a single bosonic or fermionic level in the wide-band limit, and corresponding thermodynamic forces (affinities) are identified. Nonlinear generalization of the Onsager reciprocity relations are derived. We suggest that the steady-state thermodynamic function is also capable of characterizing the heat current fluctuations of the critical transport where the thermal fluctuations dominate. Also, the suggested nonequilibrium steady-state thermodynamic relations seemingly persist for a spin-degenerate single level with local interaction.

On thermodynamical inconsistency of isotherm equations: Gibbs's thermodynamics.

PubMed

Tóth, József

2003-06-01

It has been proven that all isotherm equations which include the expression 1-Theta contradict the exact Gibbs thermodynamics. These contradictions have been discussed in detail in the case of the Langmuir (L) equation applied to gas/solid (G/S), solid/liquid (S/L), and gas/liquid (G/L) interfaces. In G/S adsorption the L equation can theoretically be applied only at low equilibrium pressures on condition that vg > vs . vg is the molar volume of the adsorbed amount in the gas phase and vs is the same in the Gibbs phase. In S/L and G/L adsorption the L equation is practically applicable only in the domain of very low concentrations. The cause of these contradictions (inconsistencies) is that Gibbs thermodynamics takes excess adsorbed amounts into account; however, the L and other isotherm equations calculate with the absolute adsorbed amount. The two amounts may be practically equal to each other when the limiting conditions mentioned above are fulfilled. It is also discussed how these inconsistent isotherm equations can be transformed into consistent ones.

Introduction to the special issue: Thermodynamic aspects of cryobiology.

PubMed

Elliott, Janet A W

2010-02-01

This brief paper introduces the subject of thermodynamics and the papers of the special issue on thermodynamic aspects of cryobiology. Thermodynamic terminology is defined for the non-specialist. Copyright 2009 Elsevier Inc. All rights reserved.

Fuel/air nonuniformity - Effect on nitric oxide emissions

NASA Technical Reports Server (NTRS)

Lyons, V. J.

1981-01-01

An analytical and experimental study was performed to determine the effect of inlet fuel/air profile nonuniformity on NO(x) emissions. The theoretical NO(x) levels were verified in a flame-tube rig at inlet air temperatures of 600, 700, and 800 K, 0.3 MPa rig pressure, 25 m/sec reference velocity, overall equivalence ratio of 0.6 and residence time near 0.002 sec. The theory predicts an increase in NO(x) emissions for increased fuel/air nonuniformity for average equivalence ratios less than 0.7, while for average equivalence ratios near stoichiometric, increasing the nonuniformity will decrease NO(x) emissions. The results can be used to predict the degree of uniformity of fuel/air profiles necessary to achieve NO(x) emissions goals for actual engines that use lean premixed, prevaporized combustion systems.

Non-equilibrium thermodynamics of harmonically trapped bosons

NASA Astrophysics Data System (ADS)

Ángel García-March, Miguel; Fogarty, Thomás; Campbell, Steve; Busch, Thomas; Paternostro, Mauro

2016-10-01

We apply the framework of non-equilibrium quantum thermodynamics to the physics of quenched small-sized bosonic quantum gases in a one-dimensional harmonic trap. We show that dynamical orthogonality can occur in these few-body systems with strong interactions after a quench and we find its occurrence analytically for an infinitely repulsive pair of atoms. We further show this phenomena is related to the fundamental excitations that dictate the dynamics from the spectral function. We establish a clear qualitative link between the amount of (irreversible) work performed on the system and the establishment of entanglement. We extend our analysis to multipartite systems by examining the case of three trapped atoms. We show the initial (pre-quench) interactions play a vital role in determining the dynamical features, while the qualitative features of the two particle case appear to remain valid. Finally, we propose the use of the atomic density profile as a readily accessible indicator of the non-equilibrium properties of the systems in question.

Thermodynamic universality of quantum Carnot engines

DOE PAGES

Gardas, Bartłomiej; Deffner, Sebastian

2015-10-12

The Carnot statement of the second law of thermodynamics poses an upper limit on the efficiency of all heat engines. Recently, it has been studied whether generic quantum features such as coherence and quantum entanglement could allow for quantum devices with efficiencies larger than the Carnot efficiency. The present study shows that this is not permitted by the laws of thermodynamic —independent of the model. We will show that rather the definition of heat has to be modified to account for the thermodynamic cost of maintaining non-Gibbsian equilibrium states. As a result, our theoretical findings are illustrated for two experimentallymore » relevant examples.« less

Universalities of thermodynamic signatures in topological phases

PubMed Central

Kempkes, S. N.; Quelle, A.; Smith, C. Morais

2016-01-01

Topological insulators (superconductors) are materials that host symmetry-protected metallic edge states in an insulating (superconducting) bulk. Although they are well understood, a thermodynamic description of these materials remained elusive, firstly because the edges yield a non-extensive contribution to the thermodynamic potential, and secondly because topological field theories involve non-local order parameters, and cannot be captured by the Ginzburg-Landau formalism. Recently, this challenge has been overcome: by using Hill thermodynamics to describe the Bernevig-Hughes-Zhang model in two dimensions, it was shown that at the topological phase transition the thermodynamic potential does not scale extensively due to boundary effects. Here, we extend this approach to different topological models in various dimensions (the Kitaev chain and Su-Schrieffer-Heeger model in one dimension, the Kane-Mele model in two dimensions and the Bernevig-Hughes-Zhang model in three dimensions) at zero temperature. Surprisingly, all models exhibit the same universal behavior in the order of the topological-phase transition, depending on the dimension. Moreover, we derive the topological phase diagram at finite temperature using this thermodynamic description, and show that it displays a good agreement with the one calculated from the Uhlmann phase. Our work reveals unexpected universalities and opens the path to a thermodynamic description of systems with a non-local order parameter. PMID:27929041

Universalities of thermodynamic signatures in topological phases.

PubMed

Kempkes, S N; Quelle, A; Smith, C Morais

2016-12-08

Topological insulators (superconductors) are materials that host symmetry-protected metallic edge states in an insulating (superconducting) bulk. Although they are well understood, a thermodynamic description of these materials remained elusive, firstly because the edges yield a non-extensive contribution to the thermodynamic potential, and secondly because topological field theories involve non-local order parameters, and cannot be captured by the Ginzburg-Landau formalism. Recently, this challenge has been overcome: by using Hill thermodynamics to describe the Bernevig-Hughes-Zhang model in two dimensions, it was shown that at the topological phase transition the thermodynamic potential does not scale extensively due to boundary effects. Here, we extend this approach to different topological models in various dimensions (the Kitaev chain and Su-Schrieffer-Heeger model in one dimension, the Kane-Mele model in two dimensions and the Bernevig-Hughes-Zhang model in three dimensions) at zero temperature. Surprisingly, all models exhibit the same universal behavior in the order of the topological-phase transition, depending on the dimension. Moreover, we derive the topological phase diagram at finite temperature using this thermodynamic description, and show that it displays a good agreement with the one calculated from the Uhlmann phase. Our work reveals unexpected universalities and opens the path to a thermodynamic description of systems with a non-local order parameter.

Laser heating and detection of bilayer microcantilevers for non-contact thermodynamic measurements

NASA Astrophysics Data System (ADS)

Burke, Brian G.; LaVan, David A.

2013-01-01

We describe a method for optical detection (frequency and position) and heating of bilayer microcantilevers (BMCs) to high temperatures at fast heating rates (106°C/s to 109°C/s) for non-contact thermodynamic measurements of small quantities of materials in the femtogram range. The current experimental apparatus with a 2 μm × 10 μm BMC achieves a deflection sensitivity of 0.1 Å, heating rate of 3.0 × 106°C/s, and heat sensitivity of 18 pJ in a 3 kHz bandwidth in air. By measuring the resonant frequency shift after sample loading, we achieve a mass resolution of 2.67 fg.

A Vector Representation for Thermodynamic Relationships

ERIC Educational Resources Information Center

Pogliani, Lionello

2006-01-01

The existing vector formalism method for thermodynamic relationship maintains tractability and uses accessible mathematics, which can be seen as a diverting and entertaining step into the mathematical formalism of thermodynamics and as an elementary application of matrix algebra. The method is based on ideas and operations apt to improve the…

Quantum thermodynamics with local control

NASA Astrophysics Data System (ADS)

Lekscha, J.; Wilming, H.; Eisert, J.; Gallego, R.

2018-02-01

We investigate the limitations that emerge in thermodynamic tasks as a result of having local control only over the components of a thermal machine. These limitations are particularly relevant for devices composed of interacting many-body systems. Specifically, we study protocols of work extraction that employ a many-body system as a working medium whose evolution can be driven by tuning the on-site Hamiltonian terms. This provides a restricted set of thermodynamic operations, giving rise to alternative bounds for the performance of engines. Our findings show that those limitations in control render it, in general, impossible to reach Carnot efficiency; in its extreme ramification it can even forbid to reach a finite efficiency or finite work per particle. We focus on the one-dimensional Ising model in the thermodynamic limit as a case study. We show that in the limit of strong interactions the ferromagnetic case becomes useless for work extraction, while the antiferromagnetic case improves its performance with the strength of the couplings, reaching Carnot in the limit of arbitrary strong interactions. Our results provide a promising connection between the study of quantum control and thermodynamics and introduce a more realistic set of physical operations well suited to capture current experimental scenarios.

Thermodynamics of quantum information scrambling

NASA Astrophysics Data System (ADS)

Campisi, Michele; Goold, John

2017-06-01

Scrambling of quantum information can conveniently be quantified by so-called out-of-time-order correlators (OTOCs), i.e., correlators of the type <[Wτ,V ] †[Wτ,V ] > , whose measurements present a formidable experimental challenge. Here we report on a method for the measurement of OTOCs based on the so-called two-point measurement scheme developed in the field of nonequilibrium quantum thermodynamics. The scheme is of broader applicability than methods employed in current experiments and provides a clear-cut interpretation of quantum information scrambling in terms of nonequilibrium fluctuations of thermodynamic quantities, such as work and heat. Furthermore, we provide a numerical example on a spin chain which highlights the utility of our thermodynamic approach when understanding the differences between integrable and ergodic behaviors. We also discuss how the method can be used to extend the reach of current experiments.

Thermodynamics of charged Lovelock: AdS black holes

NASA Astrophysics Data System (ADS)

Prasobh, C. B.; Suresh, Jishnu; Kuriakose, V. C.

2016-04-01

We investigate the thermodynamic behavior of maximally symmetric charged, asymptotically AdS black hole solutions of Lovelock gravity. We explore the thermodynamic stability of such solutions by the ordinary method of calculating the specific heat of the black holes and investigating its divergences which signal second-order phase transitions between black hole states. We then utilize the methods of thermodynamic geometry of black hole spacetimes in order to explain the origin of these points of divergence. We calculate the curvature scalar corresponding to a Legendre-invariant thermodynamic metric of these spacetimes and find that the divergences in the black hole specific heat correspond to singularities in the thermodynamic phase space. We also calculate the area spectrum for large black holes in the model by applying the Bohr-Sommerfeld quantization to the adiabatic invariant calculated for the spacetime.

Thermodynamics of hairy black holes in Lovelock gravity

NASA Astrophysics Data System (ADS)

Hennigar, Robie A.; Tjoa, Erickson; Mann, Robert B.

2017-02-01

We perform a thorough study of the thermodynamic properties of a class of Lovelock black holes with conformal scalar hair arising from coupling of a real scalar field to the dimensionally extended Euler densities. We study the linearized equations of motion of the theory and describe constraints under which the theory is free from ghosts/tachyons. We then consider, within the context of black hole chemistry, the thermodynamics of the hairy black holes in the Gauss-Bonnet and cubic Lovelock theories. We clarify the connection between isolated critical points and thermodynamic singularities, finding a one parameter family of these critical points which occur for well-defined thermodynamic parameters. We also report on a number of novel results, including `virtual triple points' and the first example of a `λ-line' — a line of second order phase transitions — in black hole thermodynamics.

Stochastic approach to equilibrium and nonequilibrium thermodynamics.

PubMed

Tomé, Tânia; de Oliveira, Mário J

2015-04-01

We develop the stochastic approach to thermodynamics based on stochastic dynamics, which can be discrete (master equation) and continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of entropy itself and the second the definition of entropy production rate, which is non-negative and vanishes in thermodynamic equilibrium. Based on these assumptions, we study interacting systems with many degrees of freedom in equilibrium or out of thermodynamic equilibrium and how the macroscopic laws are derived from the stochastic dynamics. These studies include the quasiequilibrium processes; the convexity of the equilibrium surface; the monotonic time behavior of thermodynamic potentials, including entropy; the bilinear form of the entropy production rate; the Onsager coefficients and reciprocal relations; and the nonequilibrium steady states of chemical reactions.

Thermodynamics sheds light on black hole dynamics

NASA Astrophysics Data System (ADS)

Cárdenas, Marcela; Julié, Félix-Louis; Deruelle, Nathalie

2018-06-01

We propose to unify two a priori distinct aspects of black hole physics: their thermodynamics, and their description as point particles, which is an essential starting point in the post-Newtonian approach to their dynamics. We will find that, when reducing a black hole to a point particle endowed with its specific effective mass, one in fact describes a black hole satisfying the first law of thermodynamics, such that its global charges, and hence its entropy, remain constant. This gives a thermodynamical interpretation of its effective mass, thus opening a promising synergy between black hole thermodynamics and the analytical approaches to the two-body problems in gravity theories. To illustrate this relationship, the Einstein-Maxwell-dilaton theory, which contains simple examples of asympotically flat, hairy black hole solutions, will serve as a laboratory.

On the interfacial thermodynamics of nanoscale droplets and bubbles

NASA Astrophysics Data System (ADS)

Corti, David S.; Kerr, Karl J.; Torabi, Korosh

2011-07-01

We present a new self-consistent thermodynamic formalism for the interfacial properties of nanoscale embryos whose interiors do not exhibit bulklike behavior and are in complete equilibrium with the surrounding mother phase. In contrast to the standard Gibbsian analysis, whereby a bulk reference pressure based on the same temperature and chemical potentials of the mother phase is introduced, our approach naturally incorporates the normal pressure at the center of the embryo as an appropriate reference pressure. While the interfacial properties of small embryos that follow from the use of these two reference pressures are different, both methods yield by construction the same reversible work of embryo formation as well as consistency between their respective thermodynamic and mechanical routes to the surface tension. Hence, there is no a priori reason to select one method over another. Nevertheless, we argue, and demonstrate via a density-functional theory (with the local density approximation) analysis of embryo formation in the pure component Lennard-Jones fluid, that our new method generates more physically appealing trends. For example, within the new approach the surface tension at all locations of the dividing surface vanishes at the spinodal where the density profile spanning the embryo and mother phase becomes completely uniform (only the surface tension at the Gibbs surface of tension vanishes in the Gibbsian method at this same limit). Also, for bubbles, the location of the surface of tension now diverges at the spinodal, similar to the divergent behavior exhibited by the equimolar dividing surface (in the Gibbsian method, the location of the surface of tension vanishes instead). For droplets, the new method allows for the appearance of negative surface tensions (the Gibbsian method always yields positive tensions) when the normal pressures within the interior of the embryo become less than the bulk pressure of the surrounding vapor phase. Such a

Kinetics and thermodynamics of gas diffusion in a NiFe hydrogenase.

PubMed

Topin, Jérémie; Rousset, Marc; Antonczak, Serge; Golebiowski, Jérôme

2012-03-01

We have investigated O₂ and H₂ transport across a NiFe hydrogenase at the atomic scale by means of computational methods. The Wild Type protein has been compared with the V74Q mutant. Two distinct methodologies have been applied to study the gas access to the active site. Temperature locally enhanced sampling simulations have emphasized the importance of protein dynamics on gas diffusion. The O₂ diffusion free energy profiles, obtained by umbrella sampling, are in agreement with the known kinetic data and show that in the V74Q mutant, the inhibition process is lowered from both a kinetic and a thermodynamic point of view. Copyright © 2011 Wiley Periodicals, Inc.

Ferric iron partitioning between plagioclase and silicate liquid: thermodynamics and petrological applications

NASA Astrophysics Data System (ADS)

Sugawara, Toru

2001-06-01

A series of Fe and Mg partition experiments between plagioclase and silicate liquid were performed in the system SiO2-Al2O3-Fe2O3-FeO-MgO-CaO-Na2O under oxygen fugacities from below the IW buffer up to that of air. A thermodynamic model of plagioclase solid solution for the (CaAl,NaSi,KSi)(Fe3+,Al3+)Si2O8-Ca(Fe2+,Mg)Si3O8 system is proposed and is calibrated by regression analysis based on new and previously reported experimental data of Fe and Mg partitioning between plagioclase and silicate liquid, and reported thermodynamic properties of end members, ternary feldspar and silicate liquid. Using the derived thermodynamic model, FeOt, MgO content and Mg/(Fet+Mg) in plagioclase can be predicted from liquid composition with standard deviations of +/-0.34 wt% (relative error =9%) and +/-0.08 wt% (14%) and +/-0.7 (8%) respectively. Calculated Fe3+-Al exchange chemical potentials of plagioclase, $μ { Fe{ 3 + } ( {Al} ){ - 1} }{ Pl} agree with those calculated using reported thermodynamic models for multicomponent spinel, μ { Fe{ 3 + } ( {Al} ){ - 1} }{ Sp} and clinopyroxene, μ { Fe{ 3 + } ( {Al} ){ - 1} }{ Cpx} $ . The FeOt content of plagioclase coexisting with spinel or clinopyroxene is affected by Fe3+/(Fe3++Al) and Mg/(Fe+Mg) of spinel or clinopyroxene and temperature, while it is independent of the anorthite content of plagioclase. Three oxygen barometers based on the proposed model are investigated. Although the oxygen fugacities predicted by the plagioclase-liquid oxygen barometer are scattered, this study found that plagioclase-spinel-clinopyroxene-oxygen and plagioclase-olivine-oxygen equilibria can be used as practical oxygen barometers. As a petrological application, prediction of plagioclase composition and fO2 are carried out for the Upper Zone of the Skaergaard intrusion. The estimated oxygen fugacities are well below QFM buffer and consistent with the estimation of oxidization states in previous studies.

Contrast image formation based on thermodynamic approach and surface laser oxidation process for optoelectronic read-out system

NASA Astrophysics Data System (ADS)

Scherbak, Aleksandr; Yulmetova, Olga

2018-05-01

A pulsed fiber laser with the wavelength 1.06 μm was used to treat titanium nitride film deposited on beryllium substrates in the air with intensities below an ablation threshold to provide oxide formation. Laser oxidation results were predicted by the chemical thermodynamic method and confirmed by experimental techniques (X-ray diffraction). The developed technology of contrast image formation is intended to be used for optoelectronic read-out system.

DYNAMIC ENERGY SAVING IN BUILDINGS WITH UNDERFLOOR AIR DISTRIBUTION SYSTEM – EXPERIMENTAL AND SIMULATION STUDIES

EPA Science Inventory

The present study is aimed at seeking a better understanding of the thermodynamics involved with the air distribution strategies associated with UFAD systems and its impact on the energy saving dynamics.
Thus objectives are:

• Experiment...

• Thermo-economic comparative analysis of gas turbine GT10 integrated with air and steam bottoming cycle

  NASA Astrophysics Data System (ADS)

  Czaja, Daniel; Chmielnak, Tadeusz; Lepszy, Sebastian

  2014-12-01

  A thermodynamic and economic analysis of a GT10 gas turbine integrated with the air bottoming cycle is presented. The results are compared to commercially available combined cycle power plants based on the same gas turbine. The systems under analysis have a better chance of competing with steam bottoming cycle configurations in a small range of the power output capacity. The aim of the calculations is to determine the final cost of electricity generated by the gas turbine air bottoming cycle based on a 25 MW GT10 gas turbine with the exhaust gas mass flow rate of about 80 kg/s. The article shows the results of thermodynamic optimization of the selection of the technological structure of gas turbine air bottoming cycle and of a comparative economic analysis. Quantities are determined that have a decisive impact on the considered units profitability and competitiveness compared to the popular technology based on the steam bottoming cycle. The ultimate quantity that can be compared in the calculations is the cost of 1 MWh of electricity. It should be noted that the systems analyzed herein are power plants where electricity is the only generated product. The performed calculations do not take account of any other (potential) revenues from the sale of energy origin certificates. Keywords: Gas turbine air bottoming cycle, Air bottoming cycle, Gas turbine, GT10

• Piloted simulation of an air-ground profile negotiation process in a time-based Air Traffic Control environment

  NASA Technical Reports Server (NTRS)

  Williams, David H.; Green, Steven M.

  1993-01-01

  Historically, development of airborne flight management systems (FMS) and ground-based air traffic control (ATC) systems has tended to focus on different objectives with little consideration for operational integration. A joint program, between NASA's Ames Research Center (Ames) and Langley Research Center (Langley), is underway to investigate the issues of, and develop systems for, the integration of ATC and airborne automation systems. A simulation study was conducted to evaluate a profile negotiation process (PNP) between the Center/TRACON Automation System (CTAS) and an aircraft equipped with a four-dimensional flight management system (4D FMS). Prototype procedures were developed to support the functional implementation of this process. The PNP was designed to provide an arrival trajectory solution which satisfies the separation requirements of ATC while remaining as close as possible to the aircraft's preferred trajectory. Results from the experiment indicate the potential for successful incorporation of aircraft-preferred arrival trajectories in the CTAS automation environment. Fuel savings on the order of 2 percent to 8 percent, compared to fuel required for the baseline CTAS arrival speed strategy, were achieved in the test scenarios. The data link procedures and clearances developed for this experiment, while providing the necessary functionality, were found to be operationally unacceptable to the pilots. In particular, additional pilot control and understanding of the proposed aircraft-preferred trajectory, and a simplified clearance procedure were cited as necessary for operational implementation of the concept.

• Understanding the Thermodynamics of Biological Order

  ERIC Educational Resources Information Center

  Peterson, Jacob

  2012-01-01

  By growth in size and complexity (i.e., changing from more probable to less probable states), plants and animals appear to defy the second law of thermodynamics. The usual explanation describes the input of nutrient and sunlight energy into open thermodynamic systems. However, energy input alone does not address the ability to organize and create…

• Distribution of GD3 in DPPC Monolayers: A Thermodynamic and Atomic Force Microscopy Combined Study

  PubMed Central

  Diociaiuti, Marco; Ruspantini, Irene; Giordani, Cristiano; Bordi, Federico; Chistolini, Pietro

  2004-01-01

  Gangliosides are the main component of lipid rafts. These microdomains, floating in the outer leaflet of cellular membrane, play a key role in fundamental cellular functions. Little is still known about ganglioside and phospholipid interaction. We studied mixtures of dipalmitoylphosphatidylcholine and GD3 (molar fraction of 0.2, 0.4, 0.6, 0.8) using complementary techniques: 1), thermodynamic properties of the Langmuir-Blodgett films were assessed at the air-water interface (surface tension, surface potential); and 2), three-dimensional morphology of deposited films on mica substrates were imaged by atomic force microscopy. Mixture thermodynamics were consistent with data in the literature. In particular, excess free energy was negative at each molar fraction, thus ruling out GD3 segregation. Atomic force microscopy showed that the height of liquid-condensed domains in deposited films varied with GD3 molar fraction, as compatible with a lipid aggregation model proposed by Maggio. No distinct GD3-rich domain was observed inside the films, suggesting that GD3 molecules gradually mix with dipalmitoylphosphatidylcholine molecules, confirming ΔG data. Morphological analysis revealed that the shape of liquid-condensed domains is strongly influenced by the amount of GD3, and an interesting stripe-formation phenomenon was observed. These data were combined with the thermodynamic results and interpreted in the light of McConnell's model. PMID:14695273

• Thermodynamics of a periodically driven qubit

  NASA Astrophysics Data System (ADS)

  Donvil, Brecht

  2018-04-01

  We present a new approach to the open system dynamics of a periodically driven qubit in contact with a temperature bath. We are specifically interested in the thermodynamics of the qubit. It is well known that by combining the Markovian approximation with Floquet theory it is possible to derive a stochastic Schrödinger equation in for the state of the qubit. We follow here a different approach. We use Floquet theory to embed the time-non autonomous qubit dynamics into time-autonomous yet infinite dimensional dynamics. We refer to the resulting infinite dimensional system as the dressed-qubit. Using the Markovian approximation we derive the stochastic Schrödinger equation for the dressed-qubit. The advantage of our approach is that the jump operators are ladder operators of the Hamiltonian. This simplifies the formulation of the thermodynamics. We use the thermodynamics of the infinite dimensional system to recover the thermodynamical description for the driven qubit. We compare our results with the existing literature and recover the known results.

• Universality of P - V criticality in horizon thermodynamics

  NASA Astrophysics Data System (ADS)

  Hansen, Devin; Kubizňák, David; Mann, Robert B.

  2017-01-01

  We study P - V criticality of black holes in Lovelock gravities in the context of horizon thermodynamics. The corresponding first law of horizon thermodynamics emerges as one of the Einstein-Lovelock equations and assumes the universal (independent of matter content) form δ E = T δ S - P δ V , where P is identified with the total pressure of all matter in the spacetime (including a cosmological constant Λ if present). We compare this approach to recent advances in extended phase space thermodynamics of asymptotically AdS black holes where the `standard' first law of black hole thermodynamics is extended to include a pressure-volume term, where the pressure is entirely due to the (variable) cosmological constant. We show that both approaches are quite different in interpretation. Provided there is sufficient non-linearity in the gravitational sector, we find that horizon thermodynamics admits the same interesting black hole phase behaviour seen in the extended case, such as a Hawking-Page transition, Van der Waals like behaviour, and the presence of a triple point. We also formulate the Smarr formula in horizon thermodynamics and discuss the interpretation of the quantity E appearing in the horizon first law.

• Black hole thermodynamics under the microscope

  NASA Astrophysics Data System (ADS)

  Falls, Kevin; Litim, Daniel F.

  2014-04-01

  A coarse-grained version of the effective action is used to study the thermodynamics of black holes, interpolating from largest to smallest masses. The physical parameters of the black hole are linked to the running couplings by thermodynamics, and the corresponding equation of state includes quantum corrections for temperature, specific heat, and entropy. If quantum gravity becomes asymptotically safe, the state function predicts conformal scaling in the limit of small horizon area and bounds on black hole mass and temperature. A metric-based derivation for the equation of state and quantum corrections to the thermodynamical, statistical, and phenomenological definition of entropy are also given. Further implications and limitations of our study are discussed.

• Thermodynamic characterization of networks using graph polynomials

  NASA Astrophysics Data System (ADS)

  Ye, Cheng; Comin, César H.; Peron, Thomas K. DM.; Silva, Filipi N.; Rodrigues, Francisco A.; Costa, Luciano da F.; Torsello, Andrea; Hancock, Edwin R.

  2015-09-01

  In this paper, we present a method for characterizing the evolution of time-varying complex networks by adopting a thermodynamic representation of network structure computed from a polynomial (or algebraic) characterization of graph structure. Commencing from a representation of graph structure based on a characteristic polynomial computed from the normalized Laplacian matrix, we show how the polynomial is linked to the Boltzmann partition function of a network. This allows us to compute a number of thermodynamic quantities for the network, including the average energy and entropy. Assuming that the system does not change volume, we can also compute the temperature, defined as the rate of change of entropy with energy. All three thermodynamic variables can be approximated using low-order Taylor series that can be computed using the traces of powers of the Laplacian matrix, avoiding explicit computation of the normalized Laplacian spectrum. These polynomial approximations allow a smoothed representation of the evolution of networks to be constructed in the thermodynamic space spanned by entropy, energy, and temperature. We show how these thermodynamic variables can be computed in terms of simple network characteristics, e.g., the total number of nodes and node degree statistics for nodes connected by edges. We apply the resulting thermodynamic characterization to real-world time-varying networks representing complex systems in the financial and biological domains. The study demonstrates that the method provides an efficient tool for detecting abrupt changes and characterizing different stages in network evolution.

• Thermodynamic power of non-Markovianity

  PubMed Central

  Bylicka, Bogna; Tukiainen, Mikko; Chruściński, Dariusz; Piilo, Jyrki; Maniscalco, Sabrina

  2016-01-01

  The natural framework to discuss thermodynamics at the quantum level is the theory of open quantum systems. Memory effects arising from strong system-environment correlations may lead to information back-flow, that is non-Markovian behaviour. The relation between non-Markovianity and quantum thermodynamics has been until now largely unexplored. Here we show by means of Landauer’s principle that memory effects control the amount of work extraction by erasure in presence of realistic environments. PMID:27323947

Dirac structures in nonequilibrium thermodynamics

NASA Astrophysics Data System (ADS)

Gay-Balmaz, François; Yoshimura, Hiroaki

2018-01-01

Dirac structures are geometric objects that generalize both Poisson structures and presymplectic structures on manifolds. They naturally appear in the formulation of constrained mechanical systems. In this paper, we show that the evolution equations for nonequilibrium thermodynamics admit an intrinsic formulation in terms of Dirac structures, both on the Lagrangian and the Hamiltonian settings. In the absence of irreversible processes, these Dirac structures reduce to canonical Dirac structures associated with canonical symplectic forms on phase spaces. Our geometric formulation of nonequilibrium thermodynamic thus consistently extends the geometric formulation of mechanics, to which it reduces in the absence of irreversible processes. The Dirac structures are associated with the variational formulation of nonequilibrium thermodynamics developed in the work of Gay-Balmaz and Yoshimura, J. Geom. Phys. 111, 169-193 (2017a) and are induced from a nonlinear nonholonomic constraint given by the expression of the entropy production of the system.

The power of vertical geolocation of atmospheric profiles from GNSS radio occultation.

PubMed

Scherllin-Pirscher, Barbara; Steiner, Andrea K; Kirchengast, Gottfried; Schwärz, Marc; Leroy, Stephen S

2017-02-16

High-resolution measurements from Global Navigation Satellite System (GNSS) radio occultation (RO) provide atmospheric profiles with independent information on altitude and pressure. This unique property is of crucial advantage when analyzing atmospheric characteristics that require joint knowledge of altitude and pressure or other thermodynamic atmospheric variables. Here we introduce and demonstrate the utility of this independent information from RO and discuss the computation, uncertainty, and use of RO atmospheric profiles on isohypsic coordinates-mean sea level altitude and geopotential height-as well as on thermodynamic coordinates (pressure and potential temperature). Using geopotential height as vertical grid, we give information on errors of RO-derived temperature, pressure, and potential temperature profiles and provide an empirical error model which accounts for seasonal and latitudinal variations. The observational uncertainty of individual temperature/pressure/potential temperature profiles is about 0.7 K/0.15%/1.4 K in the tropopause region. It gradually increases into the stratosphere and decreases toward the lower troposphere. This decrease is due to the increasing influence of background information. The total climatological error of mean atmospheric fields is, in general, dominated by the systematic error component. We use sampling error-corrected climatological fields to demonstrate the power of having different and accurate vertical coordinates available. As examples we analyze characteristics of the location of the tropopause for geopotential height, pressure, and potential temperature coordinates as well as seasonal variations of the midlatitude jet stream core. This highlights the broad applicability of RO and the utility of its versatile vertical geolocation for investigating the vertical structure of the troposphere and stratosphere.

Friction Force: From Mechanics to Thermodynamics

ERIC Educational Resources Information Center

Ferrari, Christian; Gruber, Christian

2010-01-01

We study some mechanical problems in which a friction force is acting on a system. Using the fundamental concepts of state, time evolution and energy conservation, we explain how to extend Newtonian mechanics to thermodynamics. We arrive at the two laws of thermodynamics and then apply them to investigate the time evolution and heat transfer of…

Considerations on non equilibrium thermodynamics of interactions

NASA Astrophysics Data System (ADS)

Lucia, Umberto

2016-04-01

Nature can be considered the ;first; engineer! For scientists and engineers, dynamics and evolution of complex systems are not easy to predict. A fundamental approach to study complex system is thermodynamics. But, the result is the origin of too many schools of thermodynamics with a consequent difficulty in communication between thermodynamicists and other scientists and, also, among themselves. The solution is to obtain a unified approach based on the fundamentals of physics. Here we suggest a possible unification of the schools of thermodynamics starting from two fundamental concepts of physics, interaction and flows.

Examples for Non-Ideal Solution Thermodynamics Study