Active Pacific meridional overturning circulation (PMOC) during the warm Pliocene.

Science.gov (United States)

Burls, Natalie J; Fedorov, Alexey V; Sigman, Daniel M; Jaccard, Samuel L; Tiedemann, Ralf; Haug, Gerald H

2017-09-01

An essential element of modern ocean circulation and climate is the Atlantic meridional overturning circulation (AMOC), which includes deep-water formation in the subarctic North Atlantic. However, a comparable overturning circulation is absent in the Pacific, the world's largest ocean, where relatively fresh surface waters inhibit North Pacific deep convection. We present complementary measurement and modeling evidence that the warm, ~400-ppmv (parts per million by volume) CO 2 world of the Pliocene supported subarctic North Pacific deep-water formation and a Pacific meridional overturning circulation (PMOC) cell. In Pliocene subarctic North Pacific sediments, we report orbitally paced maxima in calcium carbonate accumulation rate, with accompanying pigment and total organic carbon measurements supporting deep-ocean ventilation-driven preservation as their cause. Together with high accumulation rates of biogenic opal, these findings require vigorous bidirectional communication between surface waters and interior waters down to ~3 km in the western subarctic North Pacific, implying deep convection. Redox-sensitive trace metal data provide further evidence of higher Pliocene deep-ocean ventilation before the 2.73-Ma (million years) transition. This observational analysis is supported by climate modeling results, demonstrating that atmospheric moisture transport changes, in response to the reduced meridional sea surface temperature gradients of the Pliocene, were capable of eroding the halocline, leading to deep-water formation in the western subarctic Pacific and a strong PMOC. This second Northern Hemisphere overturning cell has important implications for heat transport, the ocean/atmosphere cycle of carbon, and potentially the equilibrium response of the Pacific to global warming.

Further influence of the eastern boundary on the seasonal variability of the Atlantic Meridional Overturning Circulation at 26N

Science.gov (United States)

Baehr, Johanna; Schmidt, Christian

2016-04-01

The seasonal cycle of the Atlantic Meridional Overturning Circulation (AMOC) at 26.5 N has been shown to arise predominantly from sub-surface density variations at the Eastern boundary. Here, we suggest that these sub-surface density variations have their origin in the seasonal variability of the Canary Current system, in particular the Poleward Undercurrent (PUC). We use a high-resolution ocean model (STORM) for which we show that the seasonal variability resembles observations for both sub-surface density variability and meridional transports. In particular, the STORM model simulation density variations at the eastern boundary show seasonal variations reaching down to well over 1000m, a pattern that most model simulations systematically underestimate. We find that positive wind stress curl anomalies in late summer and already within one degree off the eastern boundary result -through water column stretching- in strong transport anomlies in PUC in fall, coherent down to 1000m depth. Simultaneously with a westward propagation of these transport anomalies, we find in winter a weak PUC between 200 m and 500m, and southward transports between 600m and 1300m. This variability is in agreement with the observationally-based suggestion of a seasonal reversal of the meridional transports at intermediate depths. Our findings extend earlier studies which suggested that the seasonal variability at of the meridional transports across 26N is created by changes in the basin-wide thermocline through wind-driven upwelling at the eastern boundary analyzing wind stress curl anomalies 2 degrees off the eastern boundary. Our results suggest that the investigation of AMOC variability and particular its seasonal cycle modulations require the analysis of boundary wind stress curl and the upper ocean transports within 1 degree off the eastern boundary. These findings also implicate that without high-resolution coverage of the eastern boundary, coarser model simulation might not fully

MERIDIONAL CIRCULATION DYNAMICS FROM 3D MAGNETOHYDRODYNAMIC GLOBAL SIMULATIONS OF SOLAR CONVECTION

International Nuclear Information System (INIS)

Passos, Dário; Charbonneau, Paul; Miesch, Mark

2015-01-01

The form of solar meridional circulation is a very important ingredient for mean field flux transport dynamo models. However, a shroud of mystery still surrounds this large-scale flow, given that its measurement using current helioseismic techniques is challenging. In this work, we use results from three-dimensional global simulations of solar convection to infer the dynamical behavior of the established meridional circulation. We make a direct comparison between the meridional circulation that arises in these simulations and the latest observations. Based on our results, we argue that there should be an equatorward flow at the base of the convection zone at mid-latitudes, below the current maximum depth helioseismic measures can probe (0.75 R ⊙ ). We also provide physical arguments to justify this behavior. The simulations indicate that the meridional circulation undergoes substantial changes in morphology as the magnetic cycle unfolds. We close by discussing the importance of these dynamical changes for current methods of observation which involve long averaging periods of helioseismic data. Also noteworthy is the fact that these topological changes indicate a rich interaction between magnetic fields and plasma flows, which challenges the ubiquitous kinematic approach used in the vast majority of mean field dynamo simulations

THE MEAN-FIELD SOLAR DYNAMO WITH A DOUBLE CELL MERIDIONAL CIRCULATION PATTERN

Energy Technology Data Exchange (ETDEWEB)

Pipin, V. V. [Institute of Solar-Terrestrial Physics, Russian Academy of Sciences, Irkutsk, 664033 (Russian Federation); Kosovichev, A. G. [Hansen Experimental Physics Laboratory, Stanford University, Stanford, CA 94305 (United States)

2013-10-10

Recent helioseismology findings, as well as advances in direct numerical simulations of global dynamics of the Sun, have indicated that in each solar hemisphere meridional circulation may form more than one cell along the radius in the convection zone. In particular, recent helioseismology results revealed a double-cell structure of the meridional circulation. We investigate properties of a mean-field solar dynamo with such double-cell meridional circulation. The dynamo model also includes the realistic profile of solar differential rotation (including the tachocline and subsurface shear layer) and takes into account effects of turbulent pumping, anisotropic turbulent diffusivity, and conservation of magnetic helicity. Contrary to previous flux-transport dynamo models, we find that the dynamo model can robustly reproduce the basic properties of the solar magnetic cycles for a wide range of model parameters and circulation speeds. The best agreement with observations is achieved when the surface meridional circulation speed is about 12 m s{sup –1}. For this circulation speed, the simulated sunspot activity shows good synchronization with the polar magnetic fields. Such synchronization was indeed observed during previous sunspot Cycles 21 and 22. We compare theoretical and observed phase diagrams of the sunspot number and the polar field strength and discuss the peculiar properties of Cycle 23.

The Coupled Mars Dust and Water Cycles: Understanding How Clouds Affect the Vertical Distribution and Meridional Transport of Dust and Water.

Science.gov (United States)

Kahre, M. A.

2015-01-01

The dust and water cycles are crucial to the current Martian climate, and they are coupled through cloud formation. Dust strongly impacts the thermal structure of the atmosphere and thus greatly affects atmospheric circulation, while clouds provide radiative forcing and control the hemispheric exchange of water through the modification of the vertical distributions of water and dust. Recent improvements in the quality and sophistication of both observations and climate models allow for a more comprehensive understanding of how the interaction between the dust and water cycles (through cloud formation) affects the dust and water cycles individually. We focus here on the effects of clouds on the vertical distribution of dust and water, and how those vertical distributions control the net meridional transport of water. For this study, we utilize observations of temperature, dust and water ice from the Mars Climate Sounder (MCS) on the Mars Reconnaissance Orbiter (MRO) combined with the NASA ARC Mars Global Climate Model (MGCM). We demonstrate that the magnitude and nature of the net meridional transport of water between the northern and southern hemispheres during NH summer is sensitive to the vertical structure of the simulated aphelion cloud belt. We further examine how clouds influence the atmospheric thermal structure and thus the vertical structure of the cloud belt. Our goal is to identify and understand the importance of radiative/dynamic feedbacks due to the physical processes involved with cloud formation and evolution on the current climate of Mars.

The role of meridional density differences for a wind-driven overturning circulation

Energy Technology Data Exchange (ETDEWEB)

Schewe, J.; Levermann, A. [Potsdam Institute for Climate Impact Research, Earth System Analysis, Potsdam (Germany); Potsdam University, Physics Institute, Potsdam (Germany)

2010-03-15

Experiments with the coupled climate model CLIMBER-3{alpha}, which contains an oceanic general circulation model, show deep upwelling in the Southern Ocean to be proportional to the surface wind stress in the latitudinal band of Drake Passage. At the same time, the distribution of the Southern Ocean upwelling onto the oceanic basins is controlled by buoyancy distribution; the inflow into each basin being proportional to the respective meridional density difference. We observe approximately the same constant of proportionality for all basins, and demonstrate that it can be directly related to the flow geometry. For increased wind stress in the Southern Ocean, the overturning increases both in the Atlantic and the Indo-Pacific basin. For strongly reduced wind stress, the circulation enters a regime where Atlantic overturning is maintained through Pacific upwelling, in order to satisfy the transports set by the density differences. Previous results on surface buoyancy and wind stress forcing, obtained with different models, are reproduced within one model in order to distill a consistent picture. We propose that both Southern Ocean upwelling and meridional density differences set up a system of conditions that determine the global meridional overturning circulation. (orig.)

Solar-cycle variation of zonal and meridional flow

International Nuclear Information System (INIS)

Komm, R; Howe, R; Hill, F; Hernandez, I Gonzalez; Haber, D

2011-01-01

We study the variation with the solar cycle of the zonal and meridional flows in the near-surface layers of the solar convection zone. We have analyzed MDI Dynamics-Program data with ring-diagram analysis covering the rising phase of cycle 23, while the analyzed GONG high-resolution data cover the maximum and declining phase of cycle 23. For the zonal flow, the migration with latitude of the flow pattern is apparent in the deeper layers, while for the meridional flow, a migration with latitude is apparent only in the layers close to the surface. The faster-than-average bands of the zonal flow associated with the new cycle are clearly visible. Similarly, a pattern related to the new cycle appears in the residual meridional flow. We also study the flow differences between the hemispheres during the course of the solar cycle. The difference pattern of the meridional flow is slanted in latitude straddling the faster-than-average band of the torsional oscillation pattern in the zonal flow. The difference pattern of the zonal flow, on the other hand, resembles the cycle variation of the meridional flow. In addition, the meridional flow during the minimum of cycle 23/24 appears to be slightly stronger than during the previous minimum of cycle 22/23.

Comparison of Themodynamic and Transport Property Models for Computing Equilibrium High Enthalpy Flows

Science.gov (United States)

Ramasahayam, Veda Krishna Vyas; Diwakar, Anant; Bodi, Kowsik

2017-11-01

To study the flow of high temperature air in vibrational and chemical equilibrium, accurate models for thermodynamic state and transport phenomena are required. In the present work, the performance of a state equation model and two mixing rules for determining equilibrium air thermodynamic and transport properties are compared with that of curve fits. The thermodynamic state model considers 11 species which computes flow chemistry by an iterative process and the mixing rules considered for viscosity are Wilke and Armaly-Sutton. The curve fits of Srinivasan, which are based on Grabau type transition functions, are chosen for comparison. A two-dimensional Navier-Stokes solver is developed to simulate high enthalpy flows with numerical fluxes computed by AUSM+-up. The accuracy of state equation model and curve fits for thermodynamic properties is determined using hypersonic inviscid flow over a circular cylinder. The performance of mixing rules and curve fits for viscosity are compared using hypersonic laminar boundary layer prediction on a flat plate. It is observed that steady state solutions from state equation model and curve fits match with each other. Though curve fits are significantly faster the state equation model is more general and can be adapted to any flow composition.

Long-term variabilities of meridional geostrophic volumn transport in North Pacific Ocean

Science.gov (United States)

Zhou, H.; Yuan, D.; Dewar, W. K.

2016-02-01

The meridional geostrophic volumn transport (MGVT) by the ocean plays a very important role in the climatic water mass and heat balance because of its large heat capacity which enables the oceans to store the large amount of radiation received in the summer and to release it in winter. Better understanding of the role of the oceans in climate variability is essential to assess the likely range of future climate fluctuations. In the last century the North Pacific Ocean experienced considerable climate variability, especially on decadal time scale. Some studies have shown that the North Pacific Ocean is the origin of North Pacific multidecadal variability (Latif and Barnett, 1994; Barnett et al., 1999). These fluctuations were associated with large anomalies in sea level, temperature, storminess and rainfall, the heat transport and other extremes are changing as well. If the MGVT of the ocean is well-determined, it can be used as a test of the validity of numerical, global climate models. In this paper, we investigate the long-term variability of the MGVT in North Pacific ocean based on 55 years long global ocean heat and salt content data (Levitus et al., 2012). Very clear inter-decadal variations can be seen in tropical , subtropical and subpolar regions of North Pacific Ocean. There are very consistent variations between the MGVT anomalies and the inter-decadal pacific oscillation (IPO) index in the tropical gyre with cold phase of IPO corresponding to negative MGVT anomalies and warm phase corresponding to positive MGVT anomalies. The subtropical gyre shows more complex variations, and the subpolar gyre shows a negative MGVT anomaly before late 1970's and a positive anomaly after that time. The geostrophic velocities of North Pacific Ocean show significantly different anomalies during the two IPO cold phases of 1955-1976 and 1999 to present, which suggests a different mechanism of the two cold phases. The long term variations of Sverdrup transport compares well

Additive scheme for calculation of solvation enthalpies of heterocyclic aromatic compounds. Sublimation/vaporization enthalpy at 298.15 K

International Nuclear Information System (INIS)

Solomonov, Boris N.; Nagrimanov, Ruslan N.; Mukhametzyanov, Timur A.

2016-01-01

Highlights: • Additivity scheme for solvation enthalpies estimation of heteroaromatic compounds was proposed. • Method for determination of vaporization/sublimation enthalpies directly at 298.15 K was developed. • Solution enthalpies of 25 heteroaromatic compounds were measured. • Vaporization/sublimation enthalpies of 44 heteroaromatic compounds were determined. • Obtained values are in good agreement with the results of conventional methods. - Abstract: Hereby we propose a method for determination of vaporization and sublimation enthalpies of heterocyclic and carbonyl-containing aromatic compounds at 298.15 K. According to this method vaporization and sublimation enthalpies at 298.15 K are determined based on enthalpies of solvation and solution. Solvation enthalpies of heteroatomatic and carbonyl-containing compounds are calculated using an additive scheme from the solvation enthalpy of closest aromatic hydrocarbon and contributions related to the exchange of CH-groups of hydrocarbon with corresponding substituent atoms or groups. Measured solution enthalpies together with calculated solvation enthalpies allowed to calculate corresponding vaporization and sublimation enthalpies at 298.15 K for a large number of heterocyclic and carbonyl-containing compounds. We have also found that in a number of cases instead of solution enthalpy in benzene at 298.15 K fusion enthalpy at the melting temperature can be used. Comparison between literature data and calculated vaporization and sublimation enthalpies demonstrates satisfactory performance of the proposed method.

Additive scheme for calculation of solvation enthalpies of heterocyclic aromatic compounds. Sublimation/vaporization enthalpy at 298.15 K

Energy Technology Data Exchange (ETDEWEB)

Solomonov, Boris N., E-mail: boris.solomonov@kpfu.ru; Nagrimanov, Ruslan N.; Mukhametzyanov, Timur A.

2016-06-10

Highlights: • Additivity scheme for solvation enthalpies estimation of heteroaromatic compounds was proposed. • Method for determination of vaporization/sublimation enthalpies directly at 298.15 K was developed. • Solution enthalpies of 25 heteroaromatic compounds were measured. • Vaporization/sublimation enthalpies of 44 heteroaromatic compounds were determined. • Obtained values are in good agreement with the results of conventional methods. - Abstract: Hereby we propose a method for determination of vaporization and sublimation enthalpies of heterocyclic and carbonyl-containing aromatic compounds at 298.15 K. According to this method vaporization and sublimation enthalpies at 298.15 K are determined based on enthalpies of solvation and solution. Solvation enthalpies of heteroatomatic and carbonyl-containing compounds are calculated using an additive scheme from the solvation enthalpy of closest aromatic hydrocarbon and contributions related to the exchange of CH-groups of hydrocarbon with corresponding substituent atoms or groups. Measured solution enthalpies together with calculated solvation enthalpies allowed to calculate corresponding vaporization and sublimation enthalpies at 298.15 K for a large number of heterocyclic and carbonyl-containing compounds. We have also found that in a number of cases instead of solution enthalpy in benzene at 298.15 K fusion enthalpy at the melting temperature can be used. Comparison between literature data and calculated vaporization and sublimation enthalpies demonstrates satisfactory performance of the proposed method.

Three-pattern decomposition of global atmospheric circulation: part II—dynamical equations of horizontal, meridional and zonal circulations

Science.gov (United States)

Hu, Shujuan; Cheng, Jianbo; Xu, Ming; Chou, Jifan

2018-04-01

The three-pattern decomposition of global atmospheric circulation (TPDGAC) partitions three-dimensional (3D) atmospheric circulation into horizontal, meridional and zonal components to study the 3D structures of global atmospheric circulation. This paper incorporates the three-pattern decomposition model (TPDM) into primitive equations of atmospheric dynamics and establishes a new set of dynamical equations of the horizontal, meridional and zonal circulations in which the operator properties are studied and energy conservation laws are preserved, as in the primitive equations. The physical significance of the newly established equations is demonstrated. Our findings reveal that the new equations are essentially the 3D vorticity equations of atmosphere and that the time evolution rules of the horizontal, meridional and zonal circulations can be described from the perspective of 3D vorticity evolution. The new set of dynamical equations includes decomposed expressions that can be used to explore the source terms of large-scale atmospheric circulation variations. A simplified model is presented to demonstrate the potential applications of the new equations for studying the dynamics of the Rossby, Hadley and Walker circulations. The model shows that the horizontal air temperature anomaly gradient (ATAG) induces changes in meridional and zonal circulations and promotes the baroclinic evolution of the horizontal circulation. The simplified model also indicates that the absolute vorticity of the horizontal circulation is not conserved, and its changes can be described by changes in the vertical vorticities of the meridional and zonal circulations. Moreover, the thermodynamic equation shows that the induced meridional and zonal circulations and advection transport by the horizontal circulation in turn cause a redistribution of the air temperature. The simplified model reveals the fundamental rules between the evolution of the air temperature and the horizontal, meridional

Determination of vapor pressures, enthalpies of sublimation, and enthalpies of fusion of benzenetriols

International Nuclear Information System (INIS)

Verevkin, Sergey P.; Schick, Christoph

2004-01-01

Molar enthalpies of sublimation of 1,2,4-, 1,2,3-, and 1,3,5-tri-hydroxy-benzene, were obtained from the temperature dependence of the vapor pressure measured by the transpiration method. The molar enthalpies of fusion and molar heat capacities of these compounds were measured by DSC. The measured data sets of vaporization, sublimation and fusion enthalpies were checked for internal consistency. Strength of the inter- and intra-molecular hydrogen bonding in di- and tri-hydroxy-benzenes have been assessed

Meridional flow in the solar convection zone. I. Measurements from gong data

Energy Technology Data Exchange (ETDEWEB)

Kholikov, S. [National Solar Observatories, Tucson, AZ 85719 (United States); Serebryanskiy, A. [Ulugh Beg Astronomical Institute, Uzbek Academy of Science, Tashkent 100052 (Uzbekistan); Jackiewicz, J., E-mail: kholikov@noao.edu [Department of Astronomy, New Mexico State University, Las Cruces, NM 88003 (United States)

2014-04-01

Large-scale plasma flows in the Sun's convection zone likely play a major role in solar dynamics on decadal timescales. In particular, quantifying meridional motions is a critical ingredient for understanding the solar cycle and the transport of magnetic flux. Because the signal of such features can be quite small in deep solar layers and be buried in systematics or noise, the true meridional velocity profile has remained elusive. We perform time-distance helioseismology measurements on several years worth of Global Oscillation Network Group Doppler data. A spherical harmonic decomposition technique is applied to a subset of acoustic modes to measure travel-time differences to try to obtain signatures of meridional flows throughout the solar convection zone. Center-to-limb systematics are taken into account in an intuitive yet ad hoc manner. Travel-time differences near the surface that are consistent with a poleward flow in each hemisphere and are similar to previous work are measured. Additionally, measurements in deep layers near the base of the convection zone suggest a possible equatorward flow, as well as partial evidence of a sign change in the travel-time differences at mid-convection zone depths. This analysis on an independent data set using different measurement techniques strengthens recent conclusions that the convection zone may have multiple 'cells' of meridional flow. The results may challenge the common understanding of one large conveyor belt operating in the solar convection zone. Further work with helioseismic inversions and a careful study of systematic effects are needed before firm conclusions of these large-scale flow structures can be made.

Enthalpy-entropy compensation in protein unfolding

Institute of Scientific and Technical Information of China (English)

无

2000-01-01

Enthalpy-entropy compensation was found to be a universal law in protein unfolding based on over 3 000 experimental data. Water molecular reorganization accompanying the protein unfolding was suggested as the origin of the enthalpy-entropy compensation in protein unfolding. It is indicated that the enthalpy-entropy compensation constitutes the physical foundation that satisfies the biological need of the small free energy changes in protein unfolding, without the sacrifice of the bio-diversity of proteins. The enthalpy-entropy compensation theory proposed herein also provides valuable insights into the Privalov's puzzle of enthalpy and entropy convergence in protein unfolding.

SOLAR WAVE-FIELD SIMULATION FOR TESTING PROSPECTS OF HELIOSEISMIC MEASUREMENTS OF DEEP MERIDIONAL FLOWS

International Nuclear Information System (INIS)

Hartlep, T.; Zhao, J.; Kosovichev, A. G.; Mansour, N. N.

2013-01-01

The meridional flow in the Sun is an axisymmetric flow that is generally directed poleward at the surface, and is presumed to be of fundamental importance in the generation and transport of magnetic fields. Its true shape and strength, however, are debated. We present a numerical simulation of helioseismic wave propagation in the whole solar interior in the presence of a prescribed, stationary, single-cell, deep meridional circulation serving as synthetic data for helioseismic measurement techniques. A deep-focusing time-distance helioseismology technique is applied to the synthetic data, showing that it can in fact be used to measure the effects of the meridional flow very deep in the solar convection zone. It is shown that the ray approximation that is commonly used for interpretation of helioseismology measurements remains a reasonable approximation even for very long distances between 12° and 42° corresponding to depths between 52 and 195 Mm. From the measurement noise, we extrapolate that time-resolved observations on the order of a full solar cycle may be needed to probe the flow all the way to the base of the convection zone.

Meridional Motions and Reynolds Stress Determined by Using Kanzelhöhe Drawings and White Light Solar Images from 1964 to 2016

Science.gov (United States)

Ruždjak, Domagoj; Sudar, Davor; Brajša, Roman; Skokić, Ivica; Poljančić Beljan, Ivana; Jurdana-Šepić, Rajka; Hanslmeier, Arnold; Veronig, Astrid; Pötzi, Werner

2018-04-01

Sunspot position data obtained from Kanzelhöhe Observatory for Solar and Environmental Research (KSO) sunspot drawings and white light images in the period 1964 to 2016 were used to calculate the rotational and meridional velocities of the solar plasma. Velocities were calculated from daily shifts of sunspot groups and an iterative process of calculation of the differential rotation profiles was used to discard outliers. We found a differential rotation profile and meridional motions in agreement with previous studies using sunspots as tracers and conclude that the quality of the KSO data is appropriate for analysis of solar velocity patterns. By analyzing the correlation and covariance of meridional velocities and rotation rate residuals we found that the angular momentum is transported towards the solar equator. The magnitude and latitudinal dependence of the horizontal component of the Reynolds stress tensor calculated is sufficient to maintain the observed solar differential rotation profile. Therefore, our results confirm that the Reynolds stress is the dominant mechanism responsible for transport of angular momentum towards the solar equator.

The enthalpy of sublimation of cubane

International Nuclear Information System (INIS)

Bashir-Hashemi, A.; Chickos, James S.; Hanshaw, William; Zhao Hui; Farivar, Behzad S.; Liebman, Joel F.

2004-01-01

The sublimation enthalpy of cubane, a key reference material for force field and quantum mechanical computations, was measured by combining the vaporization enthalpy at T = 298.15 K to the sum of the fusion enthalpy measured at T = 405 K and a solid-solid phase transition that occurs at T 394 K. The fusion and solid-solid phase transitions were measured previously. A sublimation enthalpy value of (55.2 ± 2.0) kJ mol -1 at T = 298.15 K was obtained. This value compares quite favorably the value obtained by comparing the sublimation enthalpy of similar substances as a function of their molar masses but is at odds with earlier measurements

The enthalpy of sublimation of cubane

Energy Technology Data Exchange (ETDEWEB)

Bashir-Hashemi, A.; Chickos, James S.; Hanshaw, William; Zhao Hui; Farivar, Behzad S.; Liebman, Joel F

2004-12-15

The sublimation enthalpy of cubane, a key reference material for force field and quantum mechanical computations, was measured by combining the vaporization enthalpy at T = 298.15 K to the sum of the fusion enthalpy measured at T = 405 K and a solid-solid phase transition that occurs at T 394 K. The fusion and solid-solid phase transitions were measured previously. A sublimation enthalpy value of (55.2 {+-} 2.0) kJ mol{sup -1} at T = 298.15 K was obtained. This value compares quite favorably the value obtained by comparing the sublimation enthalpy of similar substances as a function of their molar masses but is at odds with earlier measurements.

Enthalpies of sublimation of fullerenes by thermogravimetry

Energy Technology Data Exchange (ETDEWEB)

Martínez-Herrera, Melchor; Campos, Myriam; Torres, Luis Alfonso; Rojas, Aarón, E-mail: arojas@cinvestav.mx

2015-12-20

Graphical abstract: - Highlights: • Enthalpies of sublimation of fullerenes were measured by thermogravimetry. • Results of enthalpies of sublimation are comparable with data reported in literature. • Not previously reported enthalpy of sublimation of C{sub 78} is supplied in this work. • Enthalpies of sublimation show a strong dependence with the number of carbon atoms in the cluster. • Enthalpies of sublimation are congruent with dispersion forces ruling cohesion of solid fullerene. - Abstract: The enthalpies of sublimation of fullerenes, as measured in the interval of 810–1170 K by thermogravimetry and applying the Langmuir equation, are reported. The detailed experimental procedure and its application to fullerenes C{sub 60}, C{sub 70}, C{sub 76}, C{sub 78} and C{sub 84} are supplied. The accuracy and uncertainty associated with the experimental results of the enthalpy of sublimation of these fullerenes show that the reliability of the measurements is comparable to that of other indirect high-temperature methods. The results also indicate that the enthalpy of sublimation increases proportionally to the number of carbon atoms in the cluster but there is also a strong correlation between the enthalpy of sublimation and the polarizability of each fullerene.

Mechanisms of meridional transport processes in the tropical Atlantic; Mechanismen meridionaler Transportprozesse im tropischen Atlantik

Energy Technology Data Exchange (ETDEWEB)

Kroeger, J.

2001-07-01

Meridional transport processes of water masses and tracers in the subtropical and tropical Atlantic are investigated using a regional eddy resolving model of the wind driven and thermohaline circulation. Analytical emphasis is on float simulations in the model which, complementary to Eulerian means, represent the Lagrangian view and give further insight into the spreading and pathways of characteristic water masses in this area. In the tropics and subtropics shallow 3-dimensional circulation cells are superimposed on the northward warm water transfer within the deep reaching thermohaline overturning cell (MOC) as part of the global ''Conveyor Belt''. Under present-day climate conditions the model shows that the equatorial thermocline is exclusively ventilated by subsurface flow within the tropical-subtropical cell (STC) of the South Atlantic. Only with a prescribed ''Conveyor-off''-Mode the STC of the North Atlantic contributes to this ventilation process with equal amounts. Throughout the year the interhemispheric transport of surface and central water masses of South Atlantic origin into the Caribbean Sea is dominated by zonal detours to the east as a consequence of the interplay of several retroflection events occuring in the North Atlantic. The eulerian mean flow field in the deep layer postulates the interhemispheric mass transport into the South Atlantic to be confined entirely to the western boundary, whereas Lagrangian means indicate intermittent eastward excursions along the equator, related to seasonally alternating zonal currents due to long Rossby waves. It was suggested that the observed characteristic eastward maximum of tracer concentrations along the equator is a consequence of rectifying effects of single or interacting equatorial waves. The model does not validate this hypothesis. The response to transport anomalies of subpolar origin and long periodicity is subject to different time-scales in both

Meridional overturning circulation conveys fast acidification to the deep Atlantic Ocean

Science.gov (United States)

Perez, Fiz F.; Fontela, Marcos; García-Ibáñez, Maribel I.; Mercier, Herlé; Velo, Anton; Lherminier, Pascale; Zunino, Patricia; de La Paz, Mercedes; Alonso-Pérez, Fernando; Guallart, Elisa F.; Padin, Xose A.

2018-02-01

Since the Industrial Revolution, the North Atlantic Ocean has been accumulating anthropogenic carbon dioxide (CO2) and experiencing ocean acidification, that is, an increase in the concentration of hydrogen ions (a reduction in pH) and a reduction in the concentration of carbonate ions. The latter causes the ‘aragonite saturation horizon’—below which waters are undersaturated with respect to a particular calcium carbonate, aragonite—to move to shallower depths (to shoal), exposing corals to corrosive waters. Here we use a database analysis to show that the present rate of supply of acidified waters to the deep Atlantic could cause the aragonite saturation horizon to shoal by 1,000-1,700 metres in the subpolar North Atlantic within the next three decades. We find that, during 1991-2016, a decrease in the concentration of carbonate ions in the Irminger Sea caused the aragonite saturation horizon to shoal by about 10-15 metres per year, and the volume of aragonite-saturated waters to reduce concomitantly. Our determination of the transport of the excess of carbonate over aragonite saturation (xc[CO32-])—an indicator of the availability of aragonite to organisms—by the Atlantic meridional overturning circulation shows that the present-day transport of carbonate ions towards the deep ocean is about 44 per cent lower than it was in preindustrial times. We infer that a doubling of atmospheric anthropogenic CO2 levels—which could occur within three decades according to a ‘business-as-usual scenario’ for climate change—could reduce the transport of xc[CO32-] by 64-79 per cent of that in preindustrial times, which could severely endanger cold-water coral habitats. The Atlantic meridional overturning circulation would also export this acidified deep water southwards, spreading corrosive waters to the world ocean.

Anomalous enthalpy relaxation in vitreous silica

DEFF Research Database (Denmark)

Yue, Yuanzheng

2015-01-01

scans. It is known that the liquid fragility (i.e., the speed of the viscous slow-down of a supercooled liquid at its Tg during cooling) has impact on enthalpy relaxation in glass. Here, we find that vitreous silica (as a strong system) exhibits striking anomalies in both glass transition and enthalpy...... relaxation compared to fragile oxide systems. The anomalous enthalpy relaxation of vitreous silica is discovered by performing the hyperquenching-annealing-calorimetry experiments. We argue that the strong systems like vitreous silica and vitreous Germania relax in a structurally cooperative manner, whereas...... the fragile ones do in a structurally independent fashion. We discuss the origin of the anomalous enthalpy relaxation in the HQ vitreous silica....

Interannual Variability of the Meridional Width of the Baiu Rainband in June and the Associated Large-Scale Atmospheric Circulations

Science.gov (United States)

Tsuji, K.; Tomita, T.

2016-12-01

part of the North Pacific subtropical high. This anomalous anticyclone (cyclone) enhances (reduces) the moisture transport from Southeast Asia to Japan and biases the southern edge of baiu rainband northward (southward). Thus, the meridional width of baiu rainband has the interannual variability.

The enthalpies of formation of two dibenzocyclooctadienones

Energy Technology Data Exchange (ETDEWEB)

Perisanu, St.; Contineanu, Iulia; Banciu, M.D.; Liebman, Joel F.; Farivar, Behzad S.; Mullan, Melissa A.; Chickos, James S.; Rath, Nigam; Hillesheim, Dorothea M

2003-04-17

The standard molar enthalpies of formation ({delta}{sub f}H{sub m}{sup 0}(s)/kJ mol{sup -1}) for 2,3:6,7-dibenzocycloocta-2,6-dien-1-one and 2,3:7,8-dibenzocycloocta-2,7-dien-1-one [6H-11,12-dihydro-dibenzo[a,e]cycloocten-5-one (ketone 1) and 10H-11,12-dihydrodibenzo[a,d]-cycloocten-5-one (ketone 2), respectively] were derived from enthalpies of combustion, measured by means of a microbomb calorimeter. The fusion and vaporization enthalpies of these compounds were obtained from DSC and correlation gas chromatography measurements. The standard molar enthalpies of formation in the gas phase were calculated by combining the condensed phase standard molar enthalpies of formation with the fusion and vaporization enthalpies adjusted to 298.15 K. Values for {delta}{sub f}H{sub m}{sup 0}(g) of (-39.9{+-}5.5) and (-14.8{+-}5.3) kJ mol{sup -1} were obtained for 2,3:6,7-dibenzocycloocta-2,6-dien-1-one and 2,3:7,8-dibenzocycloocta-2,7-dien-1-one, respectively. Quantum chemical calculations are reported for the compounds investigated experimentally and an additional four isomers. Isomerization enthalpies are derived from computed energies. The enthalpies of formation are also calculated by group additivity, compared with the experimental values and then correlated with the structure of the molecules investigated. The X-ray analysis of ketone 1 is also reported.

The enthalpies of formation of two dibenzocyclooctadienones

International Nuclear Information System (INIS)

Perisanu, St.; Contineanu, Iulia; Banciu, M.D.; Liebman, Joel F.; Farivar, Behzad S.; Mullan, Melissa A.; Chickos, James S.; Rath, Nigam; Hillesheim, Dorothea M.

2003-01-01

The standard molar enthalpies of formation (Δ f H m 0 (s)/kJ mol -1 ) for 2,3:6,7-dibenzocycloocta-2,6-dien-1-one and 2,3:7,8-dibenzocycloocta-2,7-dien-1-one [6H-11,12-dihydro-dibenzo[a,e]cycloocten-5-one (ketone 1) and 10H-11,12-dihydrodibenzo[a,d]-cycloocten-5-one (ketone 2), respectively] were derived from enthalpies of combustion, measured by means of a microbomb calorimeter. The fusion and vaporization enthalpies of these compounds were obtained from DSC and correlation gas chromatography measurements. The standard molar enthalpies of formation in the gas phase were calculated by combining the condensed phase standard molar enthalpies of formation with the fusion and vaporization enthalpies adjusted to 298.15 K. Values for Δ f H m 0 (g) of (-39.9±5.5) and (-14.8±5.3) kJ mol -1 were obtained for 2,3:6,7-dibenzocycloocta-2,6-dien-1-one and 2,3:7,8-dibenzocycloocta-2,7-dien-1-one, respectively. Quantum chemical calculations are reported for the compounds investigated experimentally and an additional four isomers. Isomerization enthalpies are derived from computed energies. The enthalpies of formation are also calculated by group additivity, compared with the experimental values and then correlated with the structure of the molecules investigated. The X-ray analysis of ketone 1 is also reported

Inferences of the deep solar meridional flow

Science.gov (United States)

Böning, Vincent G. A.

2017-10-01

Understanding the solar meridional flow is important for uncovering the origin of the solar activity cycle. Yet, recent helioseismic estimates of this flow have come to conflicting conclusions in deeper layers of the solar interior, i.e., at depths below about 0.9 solar radii. The aim of this thesis is to contribute to a better understanding of the deep solar meridional flow. Time-distance helioseismology is the major method for investigating this flow. In this method, travel times of waves propagating between pairs of locations on the solar surface are measured. Until now, the travel-time measurements have been modeled using the ray approximation, which assumes that waves travel along infinitely thin ray paths between these locations. In contrast, the scattering of the full wave field in the solar interior due to the flow is modeled in first order by the Born approximation. It is in general a more accurate model of the physics in the solar interior. In a first step, an existing model for calculating the sensitivity of travel-time measurements to solar interior flows using the Born approximation is extended from Cartesian to spherical geometry. The results are succesfully compared to the Cartesian ones and are tested for self-consistency. In a second step, the newly developed model is validated using an existing numerical simulation of linear wave propagation in the Sun. An inversion of artificial travel times for meridional flow shows excellent agreement for noiseless data and reproduces many features in the input flow profile in the case of noisy data. Finally, the new method is used to infer the deep meridional flow. I used Global Oscillation Network Group (GONG) data that were earlier analyzed using the ray approximation and I employed the same Substractive Optimized Local Averaging (SOLA) inversion technique as in the earlier study. Using an existing formula for the covariance of travel-time measurements, it is shown that the assumption of uncorrelated errors

Enthalpies of a binary alloy during solidification

Science.gov (United States)

Poirier, D. R.; Nandapurkar, P.

1988-01-01

The purpose of the paper is to present a method of calculating the enthalpy of a dendritic alloy during solidification. The enthalpies of the dendritic solid and interdendritic liquid of alloys of the Pb-Sn system are evaluated, but the method could be applied to other binaries, as well. The enthalpies are consistent with a recent evaluation of the thermodynamics of Pb-Sn alloys and with the redistribution of solute in the same during dendritic solidification. Because of the heat of mixing in Pb-Sn alloys, the interdendritic liquid of hypoeutectic alloys (Pb-rich) of less than 50 wt pct Sn has enthalpies that increase as temperature decreases during solidification.

Standard molar enthalpy of formation of methoxyacetophenone isomers

International Nuclear Information System (INIS)

Amaral, Luísa M.P.F.; Morais, Victor M.F.; Ribeiro da Silva, Manuel A.V.

2014-01-01

Highlights: • Experimental and computational energetic study of methoxyacetophenone isomers. • Enthalpies of formation and phase transition determined by calorimetric techniques. • Quantum chemical calculations allowed estimation of enthalpies of formation. • Structure and energy correlations were established. - Abstract: Values of the standard (p o = 0.1 MPa) molar enthalpy of formation of 2′-, 3′- and 4′-methoxyacetophenones were derived from their standard molar energy of combustion, in oxygen, at T = 298.15 K, measured by static bomb combustion calorimetry. The Calvet high temperature vacuum sublimation technique was used to measure the enthalpies of sublimation/vaporization of the compounds studied. The standard molar enthalpies of formation of the three compounds, in the gaseous phase, at T = 298.15 K, have been derived from the corresponding standard molar enthalpies of formation in the condensed phase and the standard molar enthalpies for the phase transition. The results obtained are −(232.0 ± 2.5), −(237.7 ± 2.7) and −(241.1 ± 2.1) kJ · mol −1 for 2′-, 3′- and 4′-methoxyacetophenone, respectively. Standard molar enthalpies of formation were also estimated from different methodologies: the Cox scheme as well as two different computational approaches using density functional theory-based B3LYP and the multilevel G3 methodologies

Experimental Determination of the Formation Enthalpy of Calcium Cobaltate from Sol–Gel Precursors

DEFF Research Database (Denmark)

Holgate, Tim C.; Wu, NingYu; Van Nong, Ngo

2017-01-01

Calcium cobaltate (Ca3Co4O9) remains one of the most promising p-type oxide materials for high-temperature thermoelectric energy conversion. While much progress has been made in refining our understanding of the unique structure of the material, as well as optimization of the transport properties...... as observations of its decomposition into the Ca3Co2O6 phase. The reaction enthalpy of forming Ca3Co4O9 from CaCO3 and Co3O4 sol–gel precursors was determined to be +284 (±2%) kJ/mol, leading to a standard enthalpy of Ca3Co4O9 of −3307 (±3.5%) kJ/mol....

High enthalpy gas dynamics

CERN Document Server

Rathakrishnan, Ethirajan

2014-01-01

This is an introductory level textbook which explains the elements of high temperature and high-speed gas dynamics. written in a clear and easy to follow style, the author covers all the latest developments in the field including basic thermodynamic principles, compressible flow regimes and waves propagation in one volume covers theoretical modeling of High Enthalpy Flows, with particular focus on problems in internal and external gas-dynamic flows, of interest in the fields of rockets propulsion and hypersonic aerodynamics High enthalpy gas dynamics is a compulsory course for aerospace engine

THEORY OF SOLAR MERIDIONAL CIRCULATION AT HIGH LATITUDES

International Nuclear Information System (INIS)

Dikpati, Mausumi; Gilman, Peter A.

2012-01-01

We build a hydrodynamic model for computing and understanding the Sun's large-scale high-latitude flows, including Coriolis forces, turbulent diffusion of momentum, and gyroscopic pumping. Side boundaries of the spherical 'polar cap', our computational domain, are located at latitudes ≥ 60°. Implementing observed low-latitude flows as side boundary conditions, we solve the flow equations for a Cartesian analog of the polar cap. The key parameter that determines whether there are nodes in the high-latitude meridional flow is ε = 2ΩnπH 2 /ν, where Ω is the interior rotation rate, n is the radial wavenumber of the meridional flow, H is the depth of the convection zone, and ν is the turbulent viscosity. The smaller the ε (larger turbulent viscosity), the fewer the number of nodes in high latitudes. For all latitudes within the polar cap, we find three nodes for ν = 10 12 cm 2 s –1 , two for 10 13 , and one or none for 10 15 or higher. For ν near 10 14 our model exhibits 'node merging': as the meridional flow speed is increased, two nodes cancel each other, leaving no nodes. On the other hand, for fixed flow speed at the boundary, as ν is increased the poleward-most node migrates to the pole and disappears, ultimately for high enough ν leaving no nodes. These results suggest that primary poleward surface meridional flow can extend from 60° to the pole either by node merging or by node migration and disappearance.

Understanding The Behavior Of The Sun'S Large Scale Magnetic Field And Its Relation With The Meridional Flow

Science.gov (United States)

Hazra, Gopal

2018-02-01

In this thesis, various studies leading to better understanding of the 11-year solar cycle and its theoretical modeling with the flux transport dynamo model are performed. Although this is primarily a theoretical thesis, there is a part dealing with the analysis of observational data. The various proxies of solar activity (e.g., sunspot number, sunspot area and 10.7 cm radio flux) from various observatory including the sunspot area records of Kodaikanal Observatory have been analyzed to study the irregular aspects of solar cycles and an analysis has been carried out on the correlation between the decay rate and the next cycle amplitude. The theoretical analysis starts with explaining how the magnetic buoyancy has been treated in the flux transport dynamo models, and advantages and disadvantages of different treatments. It is found that some of the irregular properties of the solar cycle in the decaying phase can only be well explained using a particular treatment of the magnetic buoyancy. Next, the behavior of the dynamo with the different spatial structures of the meridional flow based on recent helioseismology results has been studied. A theoretical model is constructed considering the back reaction due to the Lorentz force on the meridional flows which explains the observed variation of the meridional flow with the solar cycle. Finally, some results with 3D FTD models are presented. This 3D model is developed to handle the Babcock-Leighton mechanism and magnetic buoyancy more realistically than previous 2D models and can capture some important effects connected with the subduction of the magnetic field in polar regions, which are missed in 2D surface flux transport models. This 3D model is further used to study the evolution of the magnetic fields due to a turbulent non-axisymmetric velocity field and to compare the results with the results obtained by using a simple turbulent diffusivity coefficient.

Enthalpy of mixing of liquid Co–Sn alloys

International Nuclear Information System (INIS)

Yakymovych, A.; Fürtauer, S.; Elmahfoudi, A.; Ipser, H.; Flandorfer, H.

2014-01-01

Highlights: • The enthalpies of mixing of liquid Co–Sn alloys between T = (673 and 1773) K. • The temperature dependence of the enthalpies of mixing was described. • Full report of measured values including polynomial coefficients. - Abstract: A literature overview of enthalpy of mixing data for liquid Co–Sn alloys shows large scattering but no clear temperature dependence. Therefore drop calorimetry was performed in the Co–Sn system at twelve different temperatures in 100 K steps in the temperature range (673 to 1773) K. The integral enthalpy of mixing was determined starting from 1173 K and fitted to a standard Redlich–Kister polynomial. In addition, the limiting partial molar enthalpy of Co in Sn was investigated by small additions of Co to liquid Sn at temperatures (673 to 1773) K. The integral and partial molar enthalpies of the Co–Sn system generally show an exothermic mixing behavior. Significant temperature dependence was detected for the enthalpies of mixing. The minimum integral enthalpy values vary with rising temperature from approx. −7820 J/mol at T = 1173 K to −1350 J/mol at T = 1773 K; the position of the minimum is between (59 and 61) at.% Co. The results are discussed and compared with literature data available for this system. X-ray studies and scanning electron microscopy of selected alloys obtained from the calorimetric measurements were carried out in order to check the completeness of the solution process

Formation enthalpy of alkali-borosilicate glass

International Nuclear Information System (INIS)

Borisova, N.V.; Ushakov, V.M.

1991-01-01

Temperature dependence of formation enthalpy of glass of the composition 0.0438Na 2 O-0.0385K 2 O-0.3394B 2 O 3 -0.5783SiO 2 was determined using the method of high-temperature colorimetry-dissolution, mixing and differential scanning calorimetry. The glass considered has liquation nature-two-vitrification ranges at 713 K and 817 K are detected. The brightening point is 922 K. The calculation of formation enthalpy using the method of partial heat capacities is made in the temperature range of 973-1473 K. Formation enthalpy does not depend on temperature in the temperature range of 298-1273 K

Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase

International Nuclear Information System (INIS)

Temprado, Manuel; Notario, Rafael; Roux, María Victoria; Verevkin, Sergey P.

2014-01-01

Highlights: • The enthalpies of vaporization of 2- and 3-methoxythiophenes have been measured by the transpiration method. • We have estimated the enthalpies of formation of methoxythiophenes in liquid phase. • The optimized geometries of methoxythiophenes have been tabulated and compared with the experimental crystal structures. - Abstract: Enthalpies of vaporization of 2- and 3-methoxythiophenes (48.32 ± 0.30 and 48.54 ± 0.22 kJ · mol −1 , respectively) have been measured by the transpiration method using nitrogen as the carrying and protecting stream. Combustion experiments leading to enthalpies of formation in the liquid phase, Δ f H 0 m (l), for both isomers failed due to rapid darkening of freshly distilled samples even under a protecting atmosphere. However, combination of experimental vaporization enthalpies with values of the gaseous enthalpies of formation, Δ f H 0 m (g), obtained by quantum-chemical calculations from our previous work Notario et al. (2012) [24] permits establishing estimated Δ f H 0 m (l) values of −(68.3 ± 4.2) and −(80.1 ± 4.2) kJ · mol −1 , for 2- and 3-methoxythiophene, respectively

Calculating the enthalpy of vaporization for ionic liquid clusters.

Science.gov (United States)

Kelkar, Manish S; Maginn, Edward J

2007-08-16

Classical atomistic simulations are used to compute the enthalpy of vaporization of a series of ionic liquids composed of 1-alkyl-3-methylimidazolium cations paired with the bis(trifluoromethylsulfonyl)imide anion. The calculations show that the enthalpy of vaporization is lowest for neutral ion pairs. The enthalpy of vaporization increases by about 40 kJ/mol with the addition of each ion pair to the vaporizing cluster. Non-neutral clusters have much higher vaporization enthalpies than their neutral counterparts and thus are not expected to make up a significant fraction of volatile species. The enthalpy of vaporization increases slightly as the cation alkyl chain length increases and as temperature decreases. The calculated vaporization enthalpies are consistent with two sets of recent experimental measurements as well as with previous atomistic simulations.

A DFT study on the enthalpies of thermite reactions and enthalpies of formation of metal composite oxide

Science.gov (United States)

Zhang, Yu-ying; Wang, Meng-jie; Chang, Chun-ran; Xu, Kang-zhen; Ma, Hai-xia; Zhao, Feng-qi

2018-05-01

The standard thermite reaction enthalpies (ΔrHmθ) for seven metal oxides were theoretically analyzed using density functional theory (DFT) under five different functional levels, and the results were compared with experimental values. Through the comparison of the linear fitting constants, mean error and root mean square error, the Perdew-Wang functional within the framework of local density approximation (LDA-PWC) and Perdew-Burke-Ernzerhof exchange-correlation functional within the framework of generalized gradient approximation (GGA-PBE) were selected to further calculate the thermite reaction enthalpies for metal composite oxides (MCOs). According to the Kirchhoff formula, the standard molar reaction enthalpies for these MCOs were obtained and their standard molar enthalpies of formation (ΔfHmθ) were finally calculated. The results indicated that GGA-PBE is the most suitable one out of the total five methods to calculate these oxides. Tungstate crystals present the maximum deviation of the enthalpies of thermite reactions for MCOs and these of their physical metal oxide mixtures, but ferrite crystals are the minimum. The correlation coefficients are all above 0.95, meaning linear fitting results are very precise. And the molar enthalpies of formation for NiMoO4, CuMoO4, PbZrO3 (Pm/3m), PbZrO3 (PBA2), PbZrO3 (PBam), MgZrO3, CdZrO3, MnZrO3, CuWO4 and Fe2WO6 were first obtained as -1078.75, -1058.45, -1343.87, -1266.54, -1342.29, -1333.03, -1210.43, -1388.05, -1131.07 and - 1860.11 kJ·mol-1, respectively.

Enthalpies of Formation of Hydrazine and Its Derivatives.

Science.gov (United States)

Dorofeeva, Olga V; Ryzhova, Oxana N; Suchkova, Taisiya A

2017-07-20

Enthalpies of formation, Δ f H 298 ° , in both the gas and condensed phase, and enthalpies of sublimation or vaporization have been estimated for hydrazine, NH 2 NH 2 , and its 36 various derivatives using quantum chemical calculations. The composite G4 method has been used along with isodesmic reaction schemes to derive a set of self-consistent high-accuracy gas-phase enthalpies of formation. To estimate the enthalpies of sublimation and vaporization with reasonable accuracy (5-20 kJ/mol), the method of molecular electrostatic potential (MEP) has been used. The value of Δ f H 298 ° (NH 2 NH 2 ,g) = 97.0 ± 3.0 kJ/mol was determined from 75 isogyric reactions involving about 50 reference species; for most of these species, the accurate Δ f H 298 ° (g) values are available in Active Thermochemical Tables (ATcT). The calculated value is in excellent agreement with the reported results of the most accurate models based on coupled cluster theory (97.3 kJ/mol, the average of six calculations). Thus, the difference between the values predicted by high-level theoretical calculations and the experimental value of Δ f H 298 ° (NH 2 NH 2 ,g) = 95.55 ± 0.19 kJ/mol recommended in the ATcT and other comprehensive reference sources is sufficiently large and requires further investigation. Different hydrazine derivatives have been also considered in this work. For some of them, both the enthalpy of formation in the condensed phase and the enthalpy of sublimation or vaporization are available; for other compounds, experimental data for only one of these properties exist. Evidence of accuracy of experimental data for the first group of compounds was provided by the agreement with theoretical Δ f H 298 ° (g) value. The unknown property for the second group of compounds was predicted using the MEP model. This paper presents a systematic comparison of experimentally determined enthalpies of formation and enthalpies of sublimation or vaporization with the results of

Experimental evaluation of enthalpy efficiency and gas-phase contaminant transfer in an enthalpy recovery unit with polymer membrane foils

DEFF Research Database (Denmark)

Nie, Jinzhe; Yang, Jianrong; Fang, Lei

2015-01-01

Experimental studies were conducted in a laboratory setting to investigate the enthalpy efficiency and gas-phase contaminant transfer in a polymer membrane enthalpy recovery unit. One commercially available polymer membrane enthalpy recovery unit was used as a reference unit. Simulated indoor air...... and outdoor air by twin chambers was connected to the unit. Three chemical gases were dosed to the indoor exhaust air to mimic indoor air contaminants. Based on the measurements of temperature, humidity ratio, and contaminant concentrations of the indoor exhaust air and outdoor air supply upstream...

Standard molar enthalpies of formation of monochloroacetophenone isomers

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Amaral, Luisa M.P.F.

2010-01-01

The standard (p 0 =0.1MPa) molar enthalpies of formation of the liquids 2'-, 3'-, and 4'-chloroacetophenones were derived from the standard molar energies of combustion, in oxygen, to yield CO 2 (g) and HCl . 600H 2 O(l), at T = 298.15 K, measured by rotating-bomb combustion calorimetry. The Calvet microcalorimetry was used to measure the enthalpies of vaporization of the three compounds. These two thermodynamic parameters yielded the standard molar enthalpies of formation of the chloroacetophenone isomers, in the gaseous phase, at T = 298.15 K. (table) An empirical scheme, developed by Cox, was used to estimate the gas-phase enthalpies of formation and the obtained values were compared with the experimental ones.

Escleroplastia meridional: A propósito de un caso en 1999 Meridional scleroplasty: With regard to a case in 1999

Directory of Open Access Journals (Sweden)

Enrique J. Machado Fernández

2000-06-01

Full Text Available En este artículo se presenta un caso reciente de rechazo al aloplante utilizado para escleroplastia meridional. Se refieren las características del cuadro clínico presentado y su tratamiento. Además, se expresan consideraciones basadas en datos estadísticos y hallazgos anatomopatológicos que fundamentan la suspensión de la práctica de esta técnica en el Centro de Microcirugía Ocular.In present paper, authors present a recent case of rejection to allograft used to meridional scleroplasty. Festures of clinical picture and its treatment are related. Furthermore, we express statistical data based on considerations and anatomic-pathologic findings supporting suspension of practice of this technique in Center of Microsurgery of Eye.

Enthalpy-entropy compensation: the role of solvation.

Science.gov (United States)

Dragan, Anatoliy I; Read, Christopher M; Crane-Robinson, Colyn

2017-05-01

Structural modifications to interacting systems frequently lead to changes in both the enthalpy (heat) and entropy of the process that compensate each other, so that the Gibbs free energy is little changed: a major barrier to the development of lead compounds in drug discovery. The conventional explanation for such enthalpy-entropy compensation (EEC) is that tighter contacts lead to a more negative enthalpy but increased molecular constraints, i.e., a compensating conformational entropy reduction. Changes in solvation can also contribute to EEC but this contribution is infrequently discussed. We review long-established and recent cases of EEC and conclude that the large fluctuations in enthalpy and entropy observed are too great to be a result of only conformational changes and must result, to a considerable degree, from variations in the amounts of water immobilized or released on forming complexes. Two systems exhibiting EEC show a correlation between calorimetric entropies and local mobilities, interpreted to mean conformational control of the binding entropy/free energy. However, a substantial contribution from solvation gives the same effect, as a consequence of a structural link between the amount of bound water and the protein flexibility. Only by assuming substantial changes in solvation-an intrinsically compensatory process-can a more complete understanding of EEC be obtained. Faced with such large, and compensating, changes in the enthalpies and entropies of binding, the best approach to engineering elevated affinities must be through the addition of ionic links, as they generate increased entropy without affecting the enthalpy.

A Numerical Study on the Impeller Meridional Curvature of High Pressure Multistage Pump

Energy Technology Data Exchange (ETDEWEB)

Kim, Deok Su; Jean, Sang Gyu; Mamatov, Sanjar [Hyosung Goodsprings, Inc., Busan (Korea, Republic of); Park, Warn Gyu [Pusan Nat’l Univ., Busan (Korea, Republic of)

2017-07-15

This paper presents the hydraulic design an impeller and radial diffuser of a high-pressure multistage pump for reverse osmosis. The flow distribution and hydraulic performance for the meridional design of the impeller were analyzed numerically. Optimization was conducted based on the response surface method by varying the hub and shroud meridional curvatures, while maintaining the impeller outlet diameter, outlet width, and eye diameter constant. The analysis results of the head and efficiency with the variation in the impeller meridional profile showed that angle of the front shroud near the impeller outlet (εDs) had the highest effect on head increase, while the hub inlet length (d1i) and shroud curvature (Rds) had the highest effect on efficiency. From the meridional profile variation, an approximately 0.5% increase in efficiency was observed compared with the base model (case 25).

Enthalpy generation from mixing in hohlraum-driven targets

Science.gov (United States)

Amendt, Peter; Milovich, Jose

2016-10-01

The increase in enthalpy from the physical mixing of two initially separated materials is analytically estimated and applied to ICF implosions and gas-filled hohlraums. Pressure and temperature gradients across a classical interface are shown to be the origin of enthalpy generation from mixing. The amount of enthalpy generation is estimated to be on the order of 100 Joules for a 10 micron-scale annular mixing layer between the solid deuterium-tritium fuel and the undoped high-density carbon ablator of a NIF-scale implosion. A potential resonance is found between the mixing layer thickness and gravitational (Cs2/ g) and temperature-gradient scale lengths, leading to elevated enthalpy generation. These results suggest that if mixing occurs in current capsule designs for the National Ignition Facility, the ignition margin may be appreciably eroded by the associated enthalpy of mixing. The degree of enthalpy generation from mixing of high- Z hohlraum wall material and low- Z gas fills is estimated to be on the order of 100 kJ or more for recent NIF-scale hohlraum experiments, which is consistent with the inferred missing energy based on observed delays in capsule implosion times. Work performed under the auspices of Lawrence Livermore National Security, LLC (LLNS) under Contract No. DE-AC52-07NA27344.

Currents, Geostrophic, Aviso, 0.25 degrees, Global, Meridional

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Aviso Meridional Geostrophic Current is inferred from Sea Surface Height Deviation, climatological dynamic height, and basic fluid mechanics.

Enthalpies of vaporization of organometallic compounds

International Nuclear Information System (INIS)

Kuznetsov, N.T.; Sevast'yanov, V.G.; Mitin, V.A.; Krasnodubskaya, S.V.; Zakharov, L.N.; Domrachev, G.A.; AN SSSR, Gor'kij. Inst. Khimii)

1987-01-01

A possibility to use the method of additive schemes for the calculation of vaporizaton enthalpies of uranium organometallic compounds is discussed while comparing the values obtained using the method with experimental data. The possibility of apriori evaluation of evaporation enthalpy values of different uranium compounds using the method of additive schemes and structural characteristics of molecules, such as the sum of ligand solid angles, is shown

Study on the enthalpy of solution and enthalpy of dilution for the ionic liquid [C3mim][Val] (1-propyl-3-methylimidazolium valine)

International Nuclear Information System (INIS)

Guan Wei; Li Long; Ma Xiaoxue; Tong Jing; Fang Dawei; Yang Jiazhen

2012-01-01

Graphical abstract: The thermodynamic cycle for estimation of the hydration enthalpy of ionic liquid [C 3 mim][Val]. Highlights: ► A new amino acid ionic liquid [C 3 mim][Val] was prepared. ► The molar enthalpies of solution of the ionic liquid. ► The hydration enthalpy of the cation [C 3 mim] + was estimated. ► The molar enthalpies of dilution, of aqueous [C 3 mim][Val] were measured. - Abstract: A new amino acid ionic liquid (AAIL) [C 3 mim][Val] (1-propyl-3-methylimidazolium valine) was prepared by the neutralization method. Using the solution-reaction isoperibol calorimeter, molar solution enthalpies of the ionic liquid [C 3 mim][Val] with known amounts of water and with different concentrations in molality were measured at T = 298.15 K. In terms of standard addition method (SAM) and Archer’s method, the standard molar enthalpy of solution for [C 3 mim][Val] without water, Δ s H m ∘ = (−55.7 ± 0.4) kJ · mol −1 , was obtained. The hydration enthalpy of the cation [C 3 mim] + , ΔH + ([C 3 mim] + ) = −226 kJ · mol −1 , was estimated in terms of Glasser’s theory. Using the RD496-III heat conduction microcalorimeter, the molar enthalpies of dilution, Δ D H m (m i → m f ), of aqueous [C 3 mim][Val] with various values of molality were measured. The values of Δ D H m (m i → m f ) were fitted to Pitzer’s ion-interaction model and the values of apparent relative molar enthalpy, φ L, calculated using Pitzer’s ion-interaction model.

Relationships between fusion, solution, vaporization and sublimation enthalpies of substituted phenols

International Nuclear Information System (INIS)

Yagofarov, Mikhail I.; Nagrimanov, Ruslan N.; Solomonov, Boris N.

2017-01-01

Highlights: • Method for determination of sublimation and vaporization enthalpies of phenols was developed. • Vaporization enthalpies of 28 phenols at 298 K were calculated. • Sublimation enthalpies of 26 phenols at 298 K were calculated using fusion enthalpies at melting temperatures. • Obtained values are in good agreement with the results of conventional methods. - Abstract: In this work a method for determination of sublimation and vaporization enthalpies of substituted phenols was developed. This method is a modification of solution calorimetry approach. Modification is based on the novel relations, which bind solution, vaporization and sublimation enthalpies at 298.15 K and fusion enthalpy at the melting temperature. According to novel relations the equations for calculating sublimation and vaporization enthalpies at 298.15 K were offered. Calculated values of sublimation and vaporization enthalpies of phenol derivatives containing alkyls, halogens, –OCH 3 , –NO 2 , –COCH 3 , –COOCH 3 groups, and dihydroxybenzenes were compared with literature data (298.15 K) obtained by conventional methods. In most of the cases divergence does not exceed 2–3%.

Standard molar enthalpies of formation of monochloroacetophenone isomers

Energy Technology Data Exchange (ETDEWEB)

Ribeiro da Silva, Manuel A.V., E-mail: risilva@fc.up.p [Centro de Investigacao em Quimica, Department of Chemistry and Biochemistry, Faculty of Science, University of Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Amaral, Luisa M.P.F. [Centro de Investigacao em Quimica, Department of Chemistry and Biochemistry, Faculty of Science, University of Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal)

2010-12-15

The standard (p{sup 0}=0.1MPa) molar enthalpies of formation of the liquids 2'-, 3'-, and 4'-chloroacetophenones were derived from the standard molar energies of combustion, in oxygen, to yield CO{sub 2}(g) and HCl . 600H{sub 2}O(l), at T = 298.15 K, measured by rotating-bomb combustion calorimetry. The Calvet microcalorimetry was used to measure the enthalpies of vaporization of the three compounds. These two thermodynamic parameters yielded the standard molar enthalpies of formation of the chloroacetophenone isomers, in the gaseous phase, at T = 298.15 K. (table) An empirical scheme, developed by Cox, was used to estimate the gas-phase enthalpies of formation and the obtained values were compared with the experimental ones.

Enthalpy of formation of anisole: implications for the controversy on the O-H bond dissociation enthalpy in phenol.

Science.gov (United States)

Simões, Ricardo G; Agapito, Filipe; Diogo, Hermínio P; da Piedade, Manuel E Minas

2014-11-20

Significant discrepancies in the literature data for the enthalpy of formation of gaseous anisole, ΔfHmo(PhOCH3, g), have fueled an ongoing controversy regarding the most reliable enthalpy of formation of the phenoxy radical and of the gas phase O-H bond dissociation enthalpy, DHo(PhO-H), in phenol. In the present work ΔfHmo(PhOCH3, g) was reassessed using a combination of calorimetric determinations and high-level (W2-F12) ab initio calculations. Static-bomb combustion calorimetry led to the standard molar enthalpy of formation of liquid anisole at 298.15 K, ΔfHmo(PhOCH3, l) = −(117.1 ± 1.4) kJ·mol(-1). The corresponding enthalpy of vaporization was obtained as, ΔvapHmo(PhOCH3) = 46.41 ± 0.26 kJ·mol(-1), by Calvet-drop microcalorimetry. These results give ΔfHmo(PhOCH3, g) = −(70.7 ± 1.4) kJ·mol(-1), in excellent agreement with ΔfHmo(PhOCH3, g) = −(70.8 ± 3.2) kJ·mol(-1), obtained from the W2-F12 calculations. The ΔfHmo(PhOCH3, g) here recommended leads to ΔfHmo(PhO•, g) = 55.5 ± 2.4 kJ·mol(-)1 and DH°(PhO-H) = 368.1 ± 2.6 kJ·mol(-1).

The thermochemistry of 2,4-pentanedione revisited: observance of a nonzero enthalpy of mixing between tautomers and its effects on enthalpies of formation.

Science.gov (United States)

Temprado, Manuel; Roux, Maria Victoria; Umnahanant, Patamaporn; Zhao, Hui; Chickos, James S

2005-06-30

The enthalpies of formation of pure liquid and gas-phase (Z)-4-hydroxy-3-penten-2-one and 2,4-pentanedione are examined in the light of some more recent NMR studies on the enthalpy differences between gas-phase enthalpies of the two tautomers. Correlation gas chromatography experiments are used to evaluate the vaporization enthalpies of the pure tautomers. Values of (51.2 +/- 2.2) and (50.8 +/- 0.6) kJ.mol(-1) are measured for pure 2,4-pentanedione and (Z)-4-hydroxy-3-penten-2-one, respectively. The value of (50.8 +/- 0.6) kJ.mol(-1) can be contrasted to a value of (43.2 +/- 0.2) kJ.mol(-1) calculated for pure (Z)-4-hydroxy-3-penten-2-one when the vaporization enthalpy is measured in a mixture of tautomers. The difference is attributed to an endothermic enthalpy of mixing that destabilizes the mixture relative to the pure components. Calculation of new enthalpies of formation for (Z)-4-hydroxy-3-penten-2-one and 2,4-pentanedione in both the gas, Delta(f)H degrees (m)(g) = (-378.2 +/- 1.2) and (-358.9 +/- 2.5) kJ.mol(-1), respectively, and liquid phases, Delta(f)H degrees (m)(l) = (-429.0 +/- 1.0) and (-410.1 +/- 1.2) kJ.mol(-1), respectively, results in enthalpy differences between the two tautomers both in the liquid and gas phases that are identical within experimental error, and in excellent agreement with recent gas-phase NMR studies.

The Mars Dust and Water Cycles: Investigating the Influence of Clouds on the Vertical Distribution and Meridional Transport of Dust and Water

Science.gov (United States)

Kahre, Melinda A.; Haberle, Robert M.; Hollingsworth, Jeffery L.; Brecht, Amanda S.; Urata, Richard A.

2015-11-01

The dust and water cycles are critical to the current Martian climate, and they interact with each other through cloud formation. Dust modulates the thermal structure of the atmosphere and thus greatly influences atmospheric circulation. Clouds provide radiative forcing and control the net hemispheric transport of water through the alteration of the vertical distributions of water and dust. Recent advancements in the quality and sophistication of both climate models and observations enable an increased understanding of how the coupling between the dust and water cycles (through cloud formation) impacts the dust and water cycles. We focus here on the effects of clouds on the vertical distributions of dust and water and how those vertical distributions control the net meridional transport of water. We utilize observations of temperature, dust and water ice from the Mars Climate Sounder (MCS) on the Mars Reconnaissance Orbiter (MRO) and the NASA ARC Mars Global Climate Model (MGCM) to show that the magnitude and nature of the hemispheric exchange of water during NH summer is sensitive to the vertical structure of the simulated aphelion cloud belt. Further, we investigate how clouds influence atmospheric temperatures and thus the vertical structure of the cloud belt. Our goal is to isolate and understand the importance of radiative/dynamic feedbacks due to the physical processes involved with cloud formation and evolution on the current climate of Mars.

The Mars Dust and Water Cycles: Investigating the Influence of Clouds on the Vertical Distribution and Meridional Transport of Dust and Water.

Science.gov (United States)

Kahre, M. A.; Haberle, R. M.; Hollingsworth, J. L.; Brecht, A. S.; Urata, R.

2015-01-01

The dust and water cycles are critical to the current Martian climate, and they interact with each other through cloud formation. Dust modulates the thermal structure of the atmosphere and thus greatly influences atmospheric circulation. Clouds provide radiative forcing and control the net hemispheric transport of water through the alteration of the vertical distributions of water and dust. Recent advancements in the quality and sophistication of both climate models and observations enable an increased understanding of how the coupling between the dust and water cycles (through cloud formation) impacts the dust and water cycles. We focus here on the effects of clouds on the vertical distributions of dust and water and how those vertical distributions control the net meridional transport of water. We utilize observations of temperature, dust and water ice from the Mars Climate Sounder (MCS) on the Mars Reconnaissance Orbiter (MRO) and the NASA ARC Mars Global Climate Model (MGCM) to show that the magnitude and nature of the hemispheric exchange of water during NH summer is sensitive to the vertical structure of the simulated aphelion cloud belt. Further, we investigate how clouds influence atmospheric temperatures and thus the vertical structure of the cloud belt. Our goal is to isolate and understand the importance of radiative/dynamic feedbacks due to the physical processes involved with cloud formation and evolution on the current climate of Mars.

The relationship between vapour pressure, vaporization enthalpy, and enthalpy of transfer from solution to gas: An extension of the Martin equation

International Nuclear Information System (INIS)

Srisaipet, A.; Aryusuk, K.; Lilitchan, S.; Krisnangkura, K.

2007-01-01

Martin's equation, Δ sln g G=Δ sln g G o +zδ sln g G, is extended to cover vaporization free energy (Δ l g G). The extended equation is further expanded in terms of enthalpy and entropy and then used to correlate vaporization enthalpy (Δ l g H) and enthalpy of transfer from solution to gas (Δ sln g H). Data available in the literatures are used to validate and support the speculations derived from the proposed equation

Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

Science.gov (United States)

Hunt, J. L.; Boney, L. R.

1973-01-01

Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

Enthalpy of sublimation as measured using a silicon oscillator

Science.gov (United States)

Shakeel, Hamza; Pomeroy, J. M.

In this study, we report the enthalpy of sublimation of common gases (nitrogen, oxygen, argon, carbon dioxide, neon, krypton, xenon, and water vapor) using a large area silicon oscillator with a sub-ng (~0.027 ng/cm2) mass sensitivity. The double paddle oscillator design enables high frequency stability (17 ppb) at cryogenic temperatures and provides a consistent technique for enthalpy measurements. The enthalpies of sublimation are derived from the rate of mass loss during programmed thermal desorption and are detected as a change in the resonance frequency of the self-tracking oscillator. These measured enthalpy values show excellent agreement with the accepted literature values.

Vapor pressures and enthalpies of vaporization of azides

International Nuclear Information System (INIS)

Verevkin, Sergey P.; Emel'yanenko, Vladimir N.; Algarra, Manuel; Manuel Lopez-Romero, J.; Aguiar, Fabio; Enrique Rodriguez-Borges, J.; Esteves da Silva, Joaquim C.G.

2011-01-01

Highlights: → We prepared and measured vapor pressures and vaporization enthalpies of 7 azides. → We examined consistency of new and available in the literature data. → Data for geminal azides and azido-alkanes selected for thermochemical calculations. - Abstract: Vapor pressures of some azides have been determined by the transpiration method. The molar enthalpies of vaporization Δ l g H m of these compounds were derived from the temperature dependencies of vapor pressures. The measured data sets were successfully checked for internal consistency by comparison with vaporization enthalpies of similarly structured compounds.

Enthalpy-entropy compensation and the isokinetic temperature in ...

Indian Academy of Sciences (India)

Enthalpy-entropy compensation supposes that differences in activation enthalpy delta-H-++ for different reactions (or, typically inbiochemistry, the same reaction catalysed by enzymes obtained from different species) may be compensated for bydifferences in activation entropy delta-S-++. At the isokinetic temperature the ...

Linking the South Atlantic Meridional Overturning Circulation and the Global Monsoons

Science.gov (United States)

Lopez, H.; Dong, S.; Goni, G. J.; Lee, S. K.

2016-02-01

This study tested the hypothesis whether low frequency decadal variability of the South Atlantic meridional heat transport (SAMHT) influences decadal variability of the global monsoons. A multi-century run from a state-of-the-art coupled general circulation model is used as basis for the analysis. Our findings indicate that multi-decadal variability of the South Atlantic Ocean plays a key role in modulating atmospheric circulation via interhemispheric changes in Atlantic Ocean heat content. Weaker SAMHT produces anomalous ocean heat divergence over the South Atlantic resulting in negative ocean heat content anomaly about 15 years later. This, in turn, forces a thermally direct anomalous interhemispheric Hadley circulation in the atmosphere, transporting heat from the northern hemisphere (NH) to the southern hemisphere (SH) and moisture from the SH to the NH, thereby intensify (weaken) summer (winter) monsoon in the NH and winter (summer) monsoon in the SH. Results also show that anomalous atmospheric eddies, both transient and stationary, transport heat northward in both hemispheres producing eddy heat flux convergence (divergence) in the NH (SH) around 15-30°, reinforcing the anomalous Hadley circulation. Overall, SAMHT decadal variability leads its atmospheric response by about 15 years, suggesting that the South Atlantic is a potential predictor of global climate variability.

Enthalpy of solution of rubidium nitrate in water

International Nuclear Information System (INIS)

Weintraub, R.; Apelblat, A.; Tamir, A.

1984-01-01

Molar enthalpies of solution of RbNO 3 in water at 298.15 K were measured in an LKB calorimeter. The molar enthalpies of solution extrapolated to infinite solution are: (36788 +- 30)J. mol -1 (Alfa) and (36539 +- 52)J.mol -1 (Aldrich). (author)

Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines

International Nuclear Information System (INIS)

Pozdeev, Vasiliy A.; Verevkin, Sergey P.

2011-01-01

Highlights: → We measured vapor pressure of diamines H 2 N-(CH 2 ) n -NH 2 with n = 3 to 12. → Vaporization enthalpies at 298 K were derived. → We examined consistency of new and available in the literature data. → Enthalpies of vaporization show linear dependence on numbers n. → Enthalpies of vaporization correlate linearly with Kovat's indices. - Abstract: Vapor pressures and the molar enthalpies of vaporization of the linear aliphatic alkanediamines H 2 N-(CH 2 ) n -NH 2 with n = (3 to 12) have been determined using the transpiration method. A linear correlation of enthalpies of vaporization (at T = 298.15 K) of the alkanediamines with the number n and with the Kovat's indices has been found, proving the internal consistency of the measured data.

[Enthalpy stabilization of chicken egg lysozyme in aqueous dimethylsulfoxide solutions].

Science.gov (United States)

Kovrigin, E L; Kirkitadze, M D; Potekhin, S A

1996-01-01

Scanning microcalorimetry data have been used to plot the dependences of the denaturation enthalpy of hen egg lysozyme on dimethylsulfoxide concentration at fixed temperatures. It has been shown that at dimethylsulfoxide concentrations below 40% (v/v) the enthalpy does not depend on pH of the medium. An increase of dimethylsulfoxide concentrations in this range leads to a linear growth of enthalpy. The rate of enthalpy growth decreases with the temperature increase. The denaturation enthalpy begins to considerably depend on pH at dimethylsulfoxide concentrations more than 40%. Spectroscopy data indicate that conformational changes occur in the protein in this range of concentrations already at room temperature, whereas according to scanning microcalorimetry, they take place at much higher temperatures. This difference is probably due to a decrease of the real temperature of protein melting below room temperature and a very inhibited character of the denaturational transition. This results in a decrease of calorimetric enthalpy at acidic pH owing to incomplete protein renaturation upon calorimeter cooling to the starting point.

Experimental formation enthalpies for intermetallic phases and other inorganic compounds

Science.gov (United States)

Kim, George; Meschel, S. V.; Nash, Philip; Chen, Wei

2017-01-01

The standard enthalpy of formation of a compound is the energy associated with the reaction to form the compound from its component elements. The standard enthalpy of formation is a fundamental thermodynamic property that determines its phase stability, which can be coupled with other thermodynamic data to calculate phase diagrams. Calorimetry provides the only direct method by which the standard enthalpy of formation is experimentally measured. However, the measurement is often a time and energy intensive process. We present a dataset of enthalpies of formation measured by high-temperature calorimetry. The phases measured in this dataset include intermetallic compounds with transition metal and rare-earth elements, metal borides, metal carbides, and metallic silicides. These measurements were collected from over 50 years of calorimetric experiments. The dataset contains 1,276 entries on experimental enthalpy of formation values and structural information. Most of the entries are for binary compounds but ternary and quaternary compounds are being added as they become available. The dataset also contains predictions of enthalpy of formation from first-principles calculations for comparison. PMID:29064466

Accounting for apparent deviations between calorimetric and van't Hoff enthalpies.

Science.gov (United States)

Kantonen, Samuel A; Henriksen, Niel M; Gilson, Michael K

2018-03-01

In theory, binding enthalpies directly obtained from calorimetry (such as ITC) and the temperature dependence of the binding free energy (van't Hoff method) should agree. However, previous studies have often found them to be discrepant. Experimental binding enthalpies (both calorimetric and van't Hoff) are obtained for two host-guest pairs using ITC, and the discrepancy between the two enthalpies is examined. Modeling of artificial ITC data is also used to examine how different sources of error propagate to both types of binding enthalpies. For the host-guest pairs examined here, good agreement, to within about 0.4kcal/mol, is obtained between the two enthalpies. Additionally, using artificial data, we find that different sources of error propagate to either enthalpy uniquely, with concentration error and heat error propagating primarily to calorimetric and van't Hoff enthalpies, respectively. With modern calorimeters, good agreement between van't Hoff and calorimetric enthalpies should be achievable, barring issues due to non-ideality or unanticipated measurement pathologies. Indeed, disagreement between the two can serve as a flag for error-prone datasets. A review of the underlying theory supports the expectation that these two quantities should be in agreement. We address and arguably resolve long-standing questions regarding the relationship between calorimetric and van't Hoff enthalpies. In addition, we show that comparison of these two quantities can be used as an internal consistency check of a calorimetry study. Copyright © 2017 Elsevier B.V. All rights reserved.

Standard enthalpies of formation of uranium compounds

International Nuclear Information System (INIS)

Cordfunke, E.H.P.; Ouweltjes, W.

1977-01-01

Enthalpies of solution of β-UO 2 SO 4 and α-UO 2 SeO 4 in H 2 SO 4 (aq) and of UO 2 SeO 3 in H 2 SO 4 (aq) + Ce(SO 4 ) 2 have been measured calorimetrically. Together with measurements of the enthalpy of solution of γ-UO 3 in these solvents, the standard enthalpies of formation of anhydrous β-UO 2 SO 4 , α-UO 2 SeO 4 , and UO 2 SeO 3 have been derived. The results obtained are: ΔHsub(f) 0 (s, 298.15 K)/ kcalsub(th) mol -1 : β-UO 2 SO 4 , -(440.9 +- 0.2); α-UO 2 SeO 4 , -(367.9 +- 0.8); UO 2 SeO 3 , -(363.8 +- 0.2). (author)

Pulling the Meridional Overturning Circulation From the South DESC0005100

Energy Technology Data Exchange (ETDEWEB)

Cessi, Paola [Univ. of California, San Diego, CA (United States); Wolfe, Christopher L. [Scripps Inst. of Oceanography, San Diego, CA (United States)

2015-11-25

This project concerned the Atlantic Meridional Overturning Circulation (AMOC), its stability, variability and sensitivity to atmospheric forcing, both mechanical (wind-stress) and thermodynamical (heat and freshwater surface fluxes). The focus of the study is the interhemispheric cell in the largely adiabatic regime, where the flow is characterized by a descending branch in the high latitudes of the North Atlantic and the upwelling branch in the Antarctic Circumpolar Current (ACC) region of the Southern Ocean. These two end points are connected by shared isopycnals along which the flow takes place. The approach is to systematically study the amplitude and frequency of the AMOC’s response to localized buoyancy with an ocean-only model in both coarse and high-resolution configurations, analyzed with innovative diagnostics, focused on the “residual overturning circulation” (ROC), which is the proper measure of the transport of heat and other tracers.

Climate and vegetation changes around the Atlantic Ocean resulting from changes in the meridional overturning circulation during deglaciation

OpenAIRE

D. Handiani; A. Paul; L. Dupont

2012-01-01

The Bølling-Allerød (BA, starting ~ 14.5 ka BP) is one of the most pronounced abrupt warming periods recorded in ice and pollen proxies. The leading explanation of the cause of this warming is a sudden increase in the rate of deepwater formation in the North Atlantic Ocean and the resulting effect on the heat transport by the Atlantic Meridional Overturning Circulation (AMOC). In this study, we used the University of Victoria (UVic) Earth System-Climate Mod...

Excess molar enthalpies for binary mixtures of different amines with water

International Nuclear Information System (INIS)

Zhang, Ruilei; Chen, Jian; Mi, Jianguo

2015-01-01

Highlights: • Isothermal excess molar enthalpies for binary mixtures of different amines with water. • The Redlich–Kister equation and the NRTL model was used to fit the experimental data. • The excess molar enthalpies were discussed with different structures of amines. - Abstract: The isothermal excess molar enthalpies for binary mixtures of different amines with water were measured with a C-80 Setaram calorimeter. The experimental results indicate that the excess molar enthalpy is related to the molecular structure. The experimental excess molar enthalpies were satisfactorily fitted with the Redlich–Kister equation. They were also used to test the suitability of the NRTL model, and the deviations are a little larger than the R–K equation

Role of asymmetric meridional circulation in producing north-south asymmetry in a solar cycle dynamo model

Energy Technology Data Exchange (ETDEWEB)

Belucz, Bernadett [Eötvös University, Department of Astronomy, 1518 Budapest, Pf. 32 (Hungary); Dikpati, Mausumi [High Altitude Observatory, National Center for Atmospheric Research, 3080 Center Green, Boulder, CO 80307-3000 (United States)

2013-12-10

Solar cycles in the north and south hemispheres differ in cycle length, amplitude, profile, polar fields, and coronal structure. To show what role differences in meridional flow could play in producing these differences, we present the results of three sets of numerical simulations from a flux transport dynamo in which one property of meridional circulation has been changed in the south only. The changes are in amplitude and the presence of a second cell in latitude or in depth. An ascending phase speedup causes weakening of polar and toroidal fields; a speed decrease in a late descending phase does not change amplitudes. A long-duration speed increase leads to lower toroidal field peaks but unchanged polar field peaks. A second high-latitude circulation cell in an ascending phase weakens the next polar and toroidal field peaks, and the ascending phase is lengthened. A second cell in a late descending phase speeds up the cycle. A long-duration second cell leads to a poleward branch of the butterfly diagram and weaker polar fields. A second cell in depth reverses the tilt of the butterfly wing, decreasing polar fields when added during an ascending phase and increasing them during a late descending phase. A long-duration presence of a second cell in radius evolves the butterfly diagram far away from the observed one, with different dynamo periods in low and high latitudes. Thus, a second cell in depth is unlikely to persist more than a few years if the solar dynamo is advection-dominated. Our results show the importance of time variation and north-south asymmetry in meridional circulation in producing differing cycles in the north and south.

Role of asymmetric meridional circulation in producing north-south asymmetry in a solar cycle dynamo model

International Nuclear Information System (INIS)

Belucz, Bernadett; Dikpati, Mausumi

2013-01-01

Solar cycles in the north and south hemispheres differ in cycle length, amplitude, profile, polar fields, and coronal structure. To show what role differences in meridional flow could play in producing these differences, we present the results of three sets of numerical simulations from a flux transport dynamo in which one property of meridional circulation has been changed in the south only. The changes are in amplitude and the presence of a second cell in latitude or in depth. An ascending phase speedup causes weakening of polar and toroidal fields; a speed decrease in a late descending phase does not change amplitudes. A long-duration speed increase leads to lower toroidal field peaks but unchanged polar field peaks. A second high-latitude circulation cell in an ascending phase weakens the next polar and toroidal field peaks, and the ascending phase is lengthened. A second cell in a late descending phase speeds up the cycle. A long-duration second cell leads to a poleward branch of the butterfly diagram and weaker polar fields. A second cell in depth reverses the tilt of the butterfly wing, decreasing polar fields when added during an ascending phase and increasing them during a late descending phase. A long-duration presence of a second cell in radius evolves the butterfly diagram far away from the observed one, with different dynamo periods in low and high latitudes. Thus, a second cell in depth is unlikely to persist more than a few years if the solar dynamo is advection-dominated. Our results show the importance of time variation and north-south asymmetry in meridional circulation in producing differing cycles in the north and south.

Immersion enthalpies of activated carbon cloths as physical chemistry characterization parameter

International Nuclear Information System (INIS)

Rodriguez, Giovanny; Giraldo, Liliana; Moreno Juan Carlos

2009-01-01

The immersion enthalpies of five activated carbon cloths in carbon, CCl 4 , H 2 O and NaOH and HCl 0.1 M solutions are determined. The surface area values of the cloths are between 243 and 848 m 2 g-1 and exhibit a linear relationship with the immersion enthalpies in CCl 4 . The immersion enthalpies of carbon cloths are between 5.49 and 42.3 Jg-1 for CCl 4 and 3.83 and 7.54 Jg-1 for H 2 O. The immersion enthalpies in the solutions are related to the contents of acidic and basic groups and find that in the first case to increase the immersion enthalpy in NaOH increases the total acidity. Hydrophobic factor is calculated from the immersion enthalpies in CCl 4 and H 2 O, that indicate the interaction with polar and a polar compounds, and also relates to pHPZC each sample.

The determination of the enthalpy of formation and the enthalpy increment of Cd0.5 Te0.5 by Calvet calorimetry

International Nuclear Information System (INIS)

Agarwal, R.; Venugopal, V.; Sood, D.D.

1993-01-01

In the present study the enthalpy of formation of Cd 0.5 Te 0.5 compound at 785 K were determined from the two elements by direct reaction calorimetry using two different types of set-ups. The enthalpy increment values were measured by drop technique in Calvet calorimetry. (author). 3 refs., 4 tabs

Intra-seasonal Oscillations (ISO of zonal-mean meridional winds and temperatures as measured by UARS

Directory of Open Access Journals (Sweden)

F. T. Huang

2005-06-01

Full Text Available Based on an empirical analysis of measurements with the High Resolution Doppler Imager (HRDI on the UARS spacecraft in the upper mesosphere (95km, persistent and regular intra-seasonal oscillations (ISO with periods of about 2 to 4 months have recently been reported in the zonal-mean meridional winds. Similar oscillations have also been discussed independently in a modeling study, and they were attributed to wave-mean-flow interactions. The observed and modeled meridional wind ISOs were largely confined to low latitudes. We report here on an analysis of concurrent UARS temperature measurements, which produces oscillations similar to those seen in the meridional winds. Although the temperature oscillations are observed at lower altitudes (55km, their phase variations with latitude are qualitatively consistent with the inferred properties seen in the meridional winds and thus provide independent evidence for the existence of ISOs in the mesosphere.

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 1. C1 - C10

Science.gov (United States)

Acree, William; Chickos, James S.

2016-09-01

A compendium of phase change enthalpies published in 2010 is updated to include the period 1880-2015. Phase change enthalpies including fusion, vaporization, and sublimation enthalpies are included for organic, organometallic, and a few inorganic compounds. Part 1 of this compendium includes organic compounds from C1 to C10. Part 2 of this compendium, to be published separately, will include organic and organometallic compounds from C11 to C192. Sufficient data are presently available to permit thermodynamic cycles to be constructed as an independent means of evaluating the reliability of the data. Temperature adjustments of phase change enthalpies from the temperature of measurement to the standard reference temperature, T = 298.15 K, and a protocol for doing so are briefly discussed.

Asymmetric vibrations of shells of revolution having meridionally varying curvature and thickness

International Nuclear Information System (INIS)

Suzuki, Katsuyoshi; Kosawada, Tadashi; Miura, Kazuyuki.

1988-01-01

An exact method using power series expansions is presented for solving asymmetric free vibration problems for shells of revolution having meridionally varying curvature and thickness. The gaverning equations of motion and the boundary conditions are derived from the stationary conditions of the Lagrangian of the shells of revolution. The method is demonstrated for shells of revolution having elliptical, cycloidal, parabolical, catenary and hyperbolical meridional curvature. The natural frequencies are numerically calculated for these shells having second degree thickness variation. (author)

Standard molar enthalpies of formation of 1- and 2-cyanonaphthalene

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Lobo Ferreira, Ana I.M.C.; Barros, Ana L.M.; Bessa, Ana R.C.; Brito, Barbara C.S.A.; Vieira, Joana A.S.; Martins, Silvia A.P.

2011-01-01

Highlights: → Enthalpies of formation of 1- and 2-cyanonaphthalene were measured by combustion calorimetry. → Vapor pressures of crystalline 1- and 2-cyanonaphthalene obtained by Knudsen effusion mass loss technique. → Enthalpies, entropies and Gibbs functions of sublimation at T = 298.15 K were calculated. - Abstract: The standard (p o = 0.1 MPa) molar enthalpies of formation, in the crystalline state, of the 1- and 2-cyanonaphthalene were derived from the standard molar energies of combustion, in oxygen, at T = 298.15 K, measured by static-bomb combustion calorimetry. Vapor pressure measurements at different temperatures, using the Knudsen mass loss effusion technique, enabled the determination of the enthalpy, entropy, and Gibbs energy of sublimation, at T = 298.15 K, for both isomers. The standard molar enthalpies of sublimation, at T = 298.15 K, for 1- and 2-cyanonaphthalene, were also measured by high-temperature Calvet microcalorimetry. (table) Combining these two experimental values, the gas-phase standard molar enthalpies, at T = 298.15 K, were derived and compared with those estimated by employing two different methodologies: one based on the Cox scheme and the other one based on G3MP2B3 calculations. The calculated values show a good agreement with the experimental values obtained in this work.

Interconverting the matrix and principal-meridional representations of dioptric power and reduced vergence.

Science.gov (United States)

Harris, W F

2000-11-01

Converting the traditional representation of power as sphere, cylinder and axis to the dioptric power matrix F is usually performed by means of Long's equations and the reverse process by means of Keating's equations. It is sometimes useful to be able to convert directly between the matrix and power expressed in terms of principal powers F1 and F2 along corresponding principal meridians at angles a1 and a2. The equations for interconverting F and the principal-meridional representation expressed as F1(a1)F2 are presented here. Equivalent equations allow direct interconversion of the reduced vergence matrix L and the principal-meridional representation of vergence L1(a1)L2. Vergence becomes infinite at line and point focuses. Similarly effective power and back- and front-vertex power are infinite for some systems. Nevertheless it is possible unambiguously to represent infinite vergence and vertex power in principal-meridional form. However, information is usually lost in these infinite cases when the principal-meridional representation is converted to the matrix representation, and the former is not recoverable from the latter. As a consequence the matrix representation is usually unsatisfactory for vergences and vertex powers that are infinite. On the other hand, the principal-meridional representation of vergence and power is always satisfactory. If one adopts the position that effective powers and vertex powers are really vergences rather than powers then one concludes that the matrix provides a satisfactory representation for powers of thin systems in general but not for vergences. Implied by a vergence at a point is an interval of Sturm. The equations for characterizing the interval from the reduced vergence are presented.

An empirical equation for the enthalpy of vaporization of quantum liquids

International Nuclear Information System (INIS)

Kuz, Victor A.; Meyra, Ariel G.; Zarragoicoechea, Guillermo J.

2004-01-01

An empirical equation for the enthalpy of vaporization of quantum fluids is presented. Dimensionless analysis is used to define enthalpy of vaporization as a function of temperature with a standard deviation of about 1%. Experimental data represented in these variables show two different behaviours and exhibit different maximum values of the enthalpy of vaporization, one corresponding to fluids with a triple point and the other to fluids having a lambda point. None of the existing empirical equations are able to describe this fact. Also enthalpy of vaporization of helium-3, n-deuterium and n-tritium are estimated

Vapor pressure and enthalpy of vaporization of aliphatic propanediamines

International Nuclear Information System (INIS)

Verevkin, Sergey P.; Chernyak, Yury

2012-01-01

Highlights: ► We measured vapor pressure of four aliphatic 1,3-diamines. ► Vaporization enthalpies at 298 K were derived. ► We examined consistency of new and available data in the literature. ► A group-contribution method for prediction was developed. - Abstract: Vapor pressures of four aliphatic propanediamines including N-methyl-1,3-propanediamine (MPDA), N,N-dimethyl-1,3-propanediamine (DMPDA), N,N-diethyl-1,3-propanediamine (DEPDA) and N,N,N′,N′-tetramethyl-1,3-propanediamine (4MPDA) were measured using the transpiration method. The vapor pressures developed in this work and reported in the literature were used to derive molar enthalpy of vaporization values at the reference temperature 298.15 K. An internal consistency check of the enthalpy of vaporization was performed for the aliphatic propanediamines studied in this work. A group-contribution method was developed for the validation and prediction vaporization enthalpies of amines and diamines.

Hypervelocity Expansion Facility for Fundamental High-Enthalpy Research

Science.gov (United States)

2017-02-27

ii Final Technical Report of Contract ONR N00014-15-1-2260 Entitled: HYPERVELOCITY EXPANSION FACILITY FOR FUNDAMENTAL HIGH-ENTHALPY...previous DoD investments in high-energy pulsed laser diagnostics for instantaneous planar velocimetry and thermometry to perform scientific studies of...capability for fundamental and applied studies of hypervelocity high enthalpy flows. In this document, we report on the progress over the 18-month

Photochemistry, mixing and transport in Jupiter's stratosphere constrained by Cassini

Science.gov (United States)

Hue, V.; Hersant, F.; Cavalié, T.; Dobrijevic, M.; Sinclair, J. A.

2018-06-01

In this work, we aim at constraining the diffusive and advective transport processes in Jupiter's stratosphere, using Cassini/CIRS observations published by Nixon et al. (2007,2010). The Cassini-Huygens flyby of Jupiter on December 2000 provided the highest spatially resolved IR observations of Jupiter so far, with the CIRS instrument. The IR spectrum contains the fingerprints of several atmospheric constituents and allows probing the tropospheric and stratospheric composition. In particular, the abundances of C2H2 and C2H6, the main compounds produced by methane photochemistry, can be retrieved as a function of latitude in the pressure range at which CIRS is sensitive to. CIRS observations suggest a very different meridional distribution for these two species. This is difficult to reconcile with their photochemical histories, which are thought to be tightly coupled to the methane photolysis. While the overall abundance of C2H2 decreases with latitude, C2H6 becomes more abundant at high latitudes. In this work, a new 2D (latitude-altitude) seasonal photochemical model of Jupiter is developed. The model is used to investigate whether the addition of stratospheric transport processes, such as meridional diffusion and advection, are able to explain the latitudinal behavior of C2H2 and C2H6. We find that the C2H2 observations are fairly well reproduced without meridional diffusion. Adding meridional diffusion to the model provides an improved agreement with the C2H6 observations by flattening its meridional distribution, at the cost of a degradation of the fit to the C2H2 distribution. However, meridional diffusion alone cannot produce the observed increase with latitude of the C2H6 abundance. When adding 2D advective transport between roughly 30 mbar and 0.01 mbar, with upwelling winds at the equator and downwelling winds at high latitudes, we can, for the first time, reproduce the C2H6 abundance increase with latitude. In parallel, the fit to the C2H2 distribution is

MENTAT: A New Magnetic Meridional Neutral Wind Model for Earth's Thermosphere

Science.gov (United States)

Dandenault, P. B.

2017-12-01

We present a new model of thermosphere winds in the F region obtained from variations in the altitude of the peak density of the ionosphere (hmF2). The new Magnetic mEridional NeuTrAl Thermospheric (MENTAT) wind model produces magnetic-meridional neutral winds as a function of year, day of year, solar local time, solar flux, geographic latitude, and geographic longitude. The winds compare well with Fabry-Pérot Interferometer (FPI) wind observations and are shown to provide accurate specifications in regions outside of the observational database such as the midnight collapse of hmF2 at Arecibo, Puerto Rico. The model winds are shown to exhibit the expected seasonal, diurnal, and hourly behavior based on geophysical conditions. The magnetic meridional winds are similar to those from the well-known HWM14 model but there are important differences. For example, Townsville, Australia has a strong midnight collapse similar to that at Arecibo, but winds from HWM14 do not reproduce it. Also, the winds from hmF2 exhibit a moderate solar cycle dependence under certain conditions, whereas, HWM14 has no solar activity dependence. For more information, please visit http://www.mentatwinds.net/.

Determination of vaporization enthalpies of polychlorinated biphenyls by correlation gas chromatography.

Science.gov (United States)

Puri, S; Chickos, J S; Welsh, W J

2001-04-01

The vaporization enthalpies of 16 polychlorinated biphenyls have been determined by correlation gas chromatography. This study was prompted by the realization that the vaporization enthalpy of the standard compounds used in previous studies, octadecane and eicosane, were values measured at 340 and 362 K, respectively, rather than at 298 K. Adjustment to 298 K amounts to a 7-8 kJ/mol increment in the values. With the inclusion of this adjustment, vaporization enthalpies evaluated by correlation gas chromatography are in good agreement with the values determined previously in the literature. The present results are based on the vaporization enthalpies of several standards whose values are well established in the literature. The standards include a variety of n-alkanes and various chlorinated hydrocarbons. The vaporization enthalpies of PCBs increased with the number of chlorine atoms and were found to be larger for meta- and para-substituted polychlorinated biphenyls.

Asymmetric vibrations of thick shells of revolution having meridionally varying curvature

International Nuclear Information System (INIS)

Suzuki, Katsuyoshi; Kosawada, Tadashi; Yachita, Takumi.

1988-01-01

An exact method using power series expansions is presented for solving asymmetric free vibration problems for thick shells of revolution having meridionally varying curvature. Based on the improved thick shell theory, the Lagrangian of the shells of revolution are obtained, and the equations of motion and the boundary conditions are derived from the stationary condition of the Lagrangian. The method is demonstrated for thick shells of revolution having elliptical, cycloidal, parabolical, catenary and hyperbolical meridional curvature. The results by the present method are compared with those by the thin shell theory and the effects of the rotatory inertia and the shear deformation upon the natural frequencies are clarified. (author)

Integral enthalpy of mixing of the liquid ternary Au-Cu-Sn system

International Nuclear Information System (INIS)

Knott, S.; Li, Z.; Mikula, A.

2008-01-01

The integral enthalpy of mixing of the ternary Au-Cu-Sn has been determined with a Calvet type calorimeter at 6 different cross sections at 1273 K. The substitutional solution model of Redlich-Kister-Muggianu was used for a least square fit of the experimental data in order to get an analytical expression for the integral enthalpy of mixing. The ternary extrapolation models of Kohler, Muggianu and Toop were used to calculate the integral enthalpy of mixing and to compare measured and extrapolated values. Additional calculations of the integral enthalpy of mixing using the Chou model have been performed. With the calculated data, the iso-enthalpy lines have been determined using the Redlich-Kister-Muggianu model. A comparison of the data has been made

Los testimonios de Marte en la Meseta Meridional

Directory of Open Access Journals (Sweden)

Julián Hurtado Aguña

2001-01-01

Full Text Available Marte, fue una de las más importantes divinidades romanas presentes en Híspanla. Dentro de la Meseta meridional sus testimonios aparecen en algunas localidades de la provincia de Madrid, como Alcalá de Henares, Talamanca del Jarama o Collado Villalba, estando ausentes en otras partes de esta región. Especialmente importante es la presencia de inscripciones dedicadas a Marte en la ciudad romana de Complutum (Alcalá de Henares, donde sus dedicantes pudieran pertenecer en algún caso al grupo social de los libertos.One oí the most important román divinities in Híspanla was Mars. His testimonies in the Meridional Plateau are in some villages of Madrid's province, as Alcalá de Henares, Talamanca del Jarama or Collado Villalba, and they are not in other places of this reglan. Specially important is ttie presence of inscriptions to Mars in ttie román town of Complutum (Alcalá de Henares, wtiere his devotes could belong to the social freedmans group.

Currents, HF Radio-derived, Ano Nuevo, Normal Model, Meridional, EXPERIMENTAL

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The data is the meridional component of ocean surface currents derived from High Frequency Radio-derived measurements, with missing values filled in by a normal...

Currents, HF Radio-derived, Monterey Bay, Normal Model, Meridional, EXPERIMENTAL

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The data is the meridional component of ocean surface currents derived from High Frequency Radio-derived measurements, with missing values filled in by a normal...

Gas phase enthalpies of formation of nitrobenzamides using combustion calorimetry and thermal analysis

International Nuclear Information System (INIS)

Ximello, Arturo; Flores, Henoc; Rojas, Aarón; Adriana Camarillo, E.; Patricia Amador, M.

2014-01-01

Graphical abstract: - Highlights: • Formation enthalpies of the nitrobenzamides were derived from combustion calorimetry. • Enthalpies of vaporisation and sublimation were calculated by thermogravimetry. • From gas phase enthalpies of formation the stability of the isomers is studied. • Stability of isomers is not driven by a steric hindrance between functional groups. - Abstract: The standard molar energies of combustion of 2-nitrobenzamide, 3-nitrobenzamide and 4-nitrobenzamide were determined with an isoperibolic, static-bomb, combustion calorimeter. From the combustion results, the standard molar enthalpies of combustion and formation for these compounds in the condensed phase at T = 298.15 K were derived. Subsequently, to determine the enthalpies of sublimation, the vapour pressure data as a function of the temperature for the compounds under investigation were estimated using thermogravimetry by applying Langmuir’s equation, and the enthalpies of vaporisation were derived. Standard enthalpies of fusion were measured by differential scanning calorimetry then added to those of vaporisation to obtain reliable results for the enthalpy of sublimation. From the combustion and sublimation data, the gas phase enthalpies of formation were determined to be (−138.9 ± 3.5) kJ · mol −1 , (−122.9 ± 2.9) kJ · mol −1 and (−108.5 ± 3.7) kJ · mol −1 for the ortho, meta and para isomers of nitrobenzamide, respectively. The meaning of these results with regard to the enthalpic stability of these molecular structures is discussed herein

Currents, HF Radio-derived, SF Bay, 33 hr, Meridional, EXPERIMENTAL

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The data is the 33 hour running average of the meridional component of ocean surface currents derived from High Frequency Radio-derived measurements. THIS IS AN...

Currents, HF Radio-derived, SF Bay, 1 hr, Meridional, EXPERIMENTAL

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The data is the 1 hour average of the meridional component of ocean surface currents derived from High Frequency Radio-derived measurements. THIS IS AN EXPERIMENTAL...

Enthalpy of Formation of N2H4 (Hydrazine) Revisited.

Science.gov (United States)

Feller, David; Bross, David H; Ruscic, Branko

2017-08-17

In order to address the accuracy of the long-standing experimental enthalpy of formation of gas-phase hydrazine, fully confirmed in earlier versions of Active Thermochemical Tables (ATcT), the provenance of that value is re-examined in light of new high-end calculations of the Feller-Peterson-Dixon (FPD) variety. An overly optimistic determination of the vaporization enthalpy of hydrazine, which created an unrealistically strong connection between the gas phase thermochemistry and the calorimetric results defining the thermochemistry of liquid hydrazine, was identified as the probable culprit. The new enthalpy of formation of gas-phase hydrazine, based on balancing all available knowledge, was determined to be 111.57 ± 0.47 kJ/mol at 0 K (97.42 ± 0.47 kJ/mol at 298.15 K). Close agreement was found between the ATcT (even excluding the latest theoretical result) and the FPD enthalpy.

Formation enthalpy of iron, chromium and aluminium vanadates

International Nuclear Information System (INIS)

Kesler, Ya.A.; Cheshnitskij, S.M.; Fotiev, A.A.; Tret'yakov, Yu.D.

1985-01-01

The enthalpies of formation of FeVO 4 , CrVO 4 and AlVO 4 orthovanadates are determined. The method for measuring reaction heats of direct synthesis of oxide compounds is used. All experiments have been conducted at 973 K. The measurements have been performed by the drop-calorimetry method using high temperature differential microcalorimeter. The specified enthalpy values of FeVO 4 , CrVO 4 , AlVO 4 and FeCr(VO 4 ) 2 formation are obtained

Atlantic Meridional Overturning Circulation During the Last Glacial Maximum.

NARCIS (Netherlands)

Lynch-Stieglitz, J.; Adkins, J.F.; Curry, W.B.; Dokken, T.; Hall, I.R.; Herguera, J.C.; Hirschi, J.J.-M.; Ivanova, E.V.; Kissel, C.; Marchal, O.; Marchitto, T.M.; McCave, I.N.; McManus, J.F.; Mulitza, S.; Ninnemann, U.; Peeters, F.J.C.; Yu, E.-F.; Zahn, R.

2007-01-01

The circulation of the deep Atlantic Ocean during the height of the last ice age appears to have been quite different from today. We review observations implying that Atlantic meridional overturning circulation during the Last Glacial Maximum was neither extremely sluggish nor an enhanced version of

Predicting the enthalpies of melting and vaporization for pure components

Science.gov (United States)

Esina, Z. N.; Korchuganova, M. R.

2014-12-01

A mathematical model of the melting and vaporization enthalpies of organic components based on the theory of thermodynamic similarity is proposed. In this empirical model, the phase transition enthalpy for the homological series of n-alkanes, carboxylic acids, n-alcohols, glycols, and glycol ethers is presented as a function of the molecular mass, the number of carbon atoms in a molecule, and the normal transition temperature. The model also uses a critical or triple point temperature. It is shown that the results from predicting the melting and vaporization enthalpies enable the calculation of binary phase diagrams.

Standard molar enthalpies of formation and of sublimation of the terphenyl isomers

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Santos, Luis M.N.B.F.; Lima, Luis M. Spencer S.

2008-01-01

The standard (p 0 = 0.1 MPa) molar enthalpies of formation in the crystalline phases of ortho, meta and para-terphenyl isomers, at T = 298.15 K, were derived from the standard molar energies of combustion, measured by mini-bomb combustion calorimetry. The Knudsen mass-loss effusion technique was used to measure the dependence of the vapour pressure of the crystals with the temperature, thus deriving their standard molar enthalpies of sublimation by means of the Clausius-Clapeyron equation. Combining the standard molar enthalpies of formation and sublimation of the crystalline terphenyls, the standard molar enthalpies of formation in the gaseous state, at T = 298.15 K, were derived for the three isomers. Results are provided in a table. The results show small but detectable isomerization enthalpies between the terphenyls, indicating the following relative enthalpic stabilities: m- > p- ∼ o-terphenyl

Standard molar enthalpies of formation of three N-benzoylthiocarbamic-O-alkylesters

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Santos, Luis M.N.B.F.; Schroeder, Bernd; Dietze, Frank; Beyer, Lothar

2004-01-01

The standard (p 0 =0.1 MPa) molar enthalpies of combustion in oxygen of three crystalline N-benzoylthiocarbamic-O-alkylesters, PhCONHCSOR, R=Et (Hbtcee), n-Bu (Hbtcbe), n-Hex (Hbtche), were measured at T=298.15 K by rotating bomb calorimetry. The standard molar enthalpies of sublimation of the three compounds were measured using Calvet microcalorimetry. These values were used to derive the standard molar enthalpies of formation of the compounds in their crystalline and gaseous phases, respectively

Enthalpies of vaporization of some acetylene peroxy derivatives of carboranes-12

International Nuclear Information System (INIS)

Dibrivnyj, V.N.; Pistun, Z.E.; Van-Chin-Syan, Yu.Ya.; Yuvchenko, A.P.; Zvereva, T.D.

1999-01-01

Temperature dependences of saturated vapor pressure and vaporization enthalpies of five acetylene peroxy derivatives of carboranes-12 are determined by the Knudsen effusion method. Enthalpies and melting points of crystals, as well as temperatures of liquid compounds decomposition start are determined by the method of differential scanning calorimetry. Comparison of evaporation enthalpies determined in the study confirms the conclusions on non-additive character of intermolecular interaction in carboranes and their derivatives, which have been made previously [ru

GASP: A computer code for calculating the thermodynamic and transport properties for ten fluids: Parahydrogen, helium, neon, methane, nitrogen, carbon monoxide, oxygen, fluorine, argon, and carbon dioxide. [enthalpy, entropy, thermal conductivity, and specific heat

Science.gov (United States)

Hendricks, R. C.; Baron, A. K.; Peller, I. C.

1975-01-01

A FORTRAN IV subprogram called GASP is discussed which calculates the thermodynamic and transport properties for 10 pure fluids: parahydrogen, helium, neon, methane, nitrogen, carbon monoxide, oxygen, fluorine, argon, and carbon dioxide. The pressure range is generally from 0.1 to 400 atmospheres (to 100 atm for helium and to 1000 atm for hydrogen). The temperature ranges are from the triple point to 300 K for neon; to 500 K for carbon monoxide, oxygen, and fluorine; to 600 K for methane and nitrogen; to 1000 K for argon and carbon dioxide; to 2000 K for hydrogen; and from 6 to 500 K for helium. GASP accepts any two of pressure, temperature and density as input conditions along with pressure, and either entropy or enthalpy. The properties available in any combination as output include temperature, density, pressure, entropy, enthalpy, specific heats, sonic velocity, viscosity, thermal conductivity, and surface tension. The subprogram design is modular so that the user can choose only those subroutines necessary to the calculations.

Seasonal and mesoscale variability of oceanic transport of anthropogenic CO2

Directory of Open Access Journals (Sweden)

J.-C. Dutay

2009-11-01

Full Text Available Estimates of the ocean's large-scale transport of anthropogenic CO2 are based on one-time hydrographic sections, but the temporal variability of this transport has not been investigated. The aim of this study is to evaluate how the seasonal and mesoscale variability affect data-based estimates of anthropogenic CO2 transport. To diagnose this variability, we made a global anthropogenic CO2 simulation using an eddy-permitting version of the coupled ocean sea-ice model ORCA-LIM. As for heat transport, the seasonally varying transport of anthropogenic CO2 is largest within 20° of the equator and shows secondary maxima in the subtropics. Ekman transport generally drives most of the seasonal variability, but the contribution of the vertical shear becomes important near the equator and in the Southern Ocean. Mesoscale variabilty contributes to the annual-mean transport of both heat and anthropogenic CO2 with strong poleward transport in the Southern Ocean and equatorward transport in the tropics. This "rectified" eddy transport is largely baroclinic in the tropics and barotropic in the Southern Ocean due to a larger contribution from standing eddies. Our analysis revealed that most previous hydrographic estimates of meridional transport of anthropogenic CO2 are severely biased because they neglect temporal fluctuations due to non-Ekman velocity variations. In each of the three major ocean basins, this bias is largest near the equator and in the high southern latitudes. In the subtropical North Atlantic, where most of the hydrographic-based estimates have been focused, this uncertainty represents up to 20% and 30% of total meridional transport of heat and CO2. Generally though, outside the tropics and Southern Ocean, there are only small variations in meridional transport due to seasonal variations in tracer fields and time variations in eddy transport. For the North Atlantic, eddy variability accounts for up to 10% and 15% of the total transport of

Preliminary results of U/Pb geochronology in Meridional Espinhaco Mountain

International Nuclear Information System (INIS)

Machado, N.; Schrank, A.; Abreu, F.R. de; Knauer, L.G.; Abreu, P.A.A.

1989-01-01

Some samples of the constituent unities from Meridional Espinhaco Mountain for geochronology determining by U/Pb method are presented. The analytical techniques described by Krogh and the Davis linear regression program are used for treating these samples. (author)

Standard molar enthalpies of formation of 2-, 3- and 4-cyanobenzoic acids

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Amaral, Luisa M.P.F.; Boaventura, Cristina R.P.; Gomes, Jose R.B.

2008-01-01

The standard (p 0 = 0.1 MPa) molar enthalpies of formation of 2-, 3- and 4-cyanobenzoic acids were derived from their standard molar energies of combustion, in oxygen, at T = 298.15 K, measured by static bomb combustion calorimetry. The Calvet high temperature vacuum sublimation technique was used to measure the enthalpies of sublimation of 2- and 3-cyanobenzoic acids. The standard molar enthalpies of formation of the three compounds, in the gaseous phase, at T = 298.15 K, have been derived from the corresponding standard molar enthalpies of formation in the condensed phase and standard molar enthalpies for phase transition. The results obtained are -(150.7 ± 2.0) kJ . mol -1 , -(153.6 ± 1.7) kJ . mol -1 and -(157.1 ± 1.4) kJ . mol -1 for 2-cyano, 3-cyano and 4-cyanobenzoic acids, respectively. Standard molar enthalpies of formation were also estimated by employing two different methodologies: one based on the Cox scheme and the other one based on several different computational approaches. The calculated values show a good agreement with the experimental values obtained in this work

Enthalpy changes when passing from simple to complex perovskite-like oxides

International Nuclear Information System (INIS)

Reznitskij, L.A.

1999-01-01

Formation enthalpies of complex perovskite-like oxides and their hexagonal analogs of the composition: Ba 2 ReFeO 6 , Sr 2 ReFeO 6 , Sr 2 ReMnO 6 , Ca 2 ReMnO 6 , Sr 2 WCrO 6 , Sr 2 MoCrO 6 , Ca 2 MoCrO 6 , Ca 2 WCrO 6 , Ba 3 Fe 2 ReO 9 , Ba 3 Cr 2 ReO 9 , Ba 2 RhTaO 6 and B 2 ScIrO 6 from simple oxides were calculated by approximate method using enthalpies of the cations coordination change in oxygen medium. The conclusion was made that enthalpy stabilization of the oxide with regard to simple oxides is mainly determined by the change in enthalpies of alkaline earth metal cations [ru

Solar-cycle Variations of Meridional Flows in the Solar Convection Zone Using Helioseismic Methods

Science.gov (United States)

Lin, Chia-Hsien; Chou, Dean-Yi

2018-06-01

The solar meridional flow is an axisymmetric flow in solar meridional planes, extending through the convection zone. Here we study its solar-cycle variations in the convection zone using SOHO/MDI helioseismic data from 1996 to 2010, including two solar minima and one maximum. The travel-time difference between northward and southward acoustic waves is related to the meridional flow along the wave path. Applying the ray approximation and the SOLA inversion method to the travel-time difference measured in a previous study, we obtain the meridional flow distributions in 0.67 ≤ r ≤ 0.96R ⊙ at the minimum and maximum. At the minimum, the flow has a three-layer structure: poleward in the upper convection zone, equatorward in the middle convection zone, and poleward again in the lower convection zone. The flow speed is close to zero within the error bar near the base of the convection zone. The flow distribution changes significantly from the minimum to the maximum. The change above 0.9R ⊙ shows two phenomena: first, the poleward flow speed is reduced at the maximum; second, an additional convergent flow centered at the active latitudes is generated at the maximum. These two phenomena are consistent with the surface meridional flow reported in previous studies. The change in flow extends all the way down to the base of the convection zone, and the pattern of the change below 0.9R ⊙ is more complicated. However, it is clear that the active latitudes play a role in the flow change: the changes in flow speed below and above the active latitudes have opposite signs. This suggests that magnetic fields could be responsible for the flow change.

Status on high enthalpy geothermal resources in Greece

International Nuclear Information System (INIS)

Koutinas, G.A.

1990-01-01

Greece is privileged to have many high and medium enthalpy geothermal resources. Related activities during the last 5 years were conducted mainly on the previously discovered geothermal fields of Milos, Nisyros and Lesvos islands, without any deep geothermal drilling. Most efforts were focused on the demonstration of a high enthalpy geothermal reservoir on Milos, by generating electricity from high salinity fluid, with a 2 MW pilot plant. Significant experience has been gained there, by solving technical problems, but still site specific constraints have to be overcome in order to arrive at a comprehensive feasibility study, leading to the development phase. A pre-feasibility study has been carried out in the Nisyros geothermal field. Moreover, a detailed geoscientific exploration program has been completed on Lesvos island, where very promising geothermal areas have been identified. In this paper, reference is made to the most important data concerning high enthalpy geothermal resources by emphasizing the Milos geothermal field

A combined experimental and computational investigation of excess molar enthalpies of (nitrobenzene + alkanol) mixtures

International Nuclear Information System (INIS)

Neyband, Razieh Sadat; Zarei, Hosseinali

2015-01-01

Highlights: • Excess molar enthalpies for the binary mixtures of nitrobenzene + alkanols mixtures were measured. • The infinite dilution excess partial molar enthalpies were calculated using the ab initio methods. • The PCM calculations were performed. • The computed excess partial molar enthalpies at infinite dilution were compared to experimental results. - Abstract: Excess molar enthalpies (H m E ) for the binary mixtures of {(nitrobenzene + ethanol), 1-propanol, 2-propanol, 1-butanol and 2-butanol} have been measured over the entire composition range at ambient pressure (81.5 kPa) and temperature 298 K using a Parr 1455 solution calorimeter. From the experimental results, the excess partial molar enthalpies (H i E ) and excess partial molar enthalpies at infinite dilution (H i E,∞ ) were calculated. The excess molar enthalpies (H m E ) are positive for all {nitrobenzene (1) + alkanol (2)} mixtures over the entire composition range. A state-of-the-art computational strategy for the evaluation of excess partial molar enthalpies at infinite dilution was followed at the M05-2X/6-311++G ∗∗ level of theory with the PCM model. The experimental excess partial molar enthalpies at infinite dilution have been compared to the computational data of the ab initio in liquid phase. Integrated experimental and computational results help to clarify the nature of the intermolecular interactions in {nitrobenzene (1) + alkanol (2)} mixtures. The experimental and computational work which was done in this study complements and extends the general research on the computation of excess partial molar enthalpy at infinite dilution of binary mixtures

New experimental heat capacity and enthalpy of formation of lithium cobalt oxide

International Nuclear Information System (INIS)

Gotcu-Freis, Petronela; Cupid, Damian M.; Rohde, Magnus; Seifert, Hans J.

2015-01-01

Highlights: • LiCoO 2 heat capacity was measured in the temperature range (160 to 953) K using DSC. • Continuous/discontinuous methods were applied on different types of calorimeters. • Enthalpy increment of LiCoO 2 was determined using drop calorimetry at T = 974 K. • Enthalpies of formation were evaluated from oxide melt drop solution calorimetry. - Abstract: The heat capacity of LiCoO 2 (O3-phase), constituent material in cathodes for lithium-ion batteries, was measured using two differential scanning calorimeters over the temperature range from (160 to 953) K (continuous method). As an alternative, the discontinuous method was employed over the temperature range from (493 to 693) K using a third calorimeter. Based on the results obtained, the enthalpy increment of LiCoO 2 was derived from T = 298.15 K up to 974.15 K. Very good agreement was obtained between the derived enthalpy increment and our independent measurements of enthalpy increment using transposed temperature drop calorimetry at 974.15 K. In addition, values of the enthalpy of formation of LiCoO 2 from the constituent oxides and elements were assessed based on measurements of enthalpy of dissolution using high temperature oxide melt drop solution calorimetry. The high temperature values obtained by these measurements are key input data in safety analysis and optimisation of the battery management systems which accounts for possible thermal runaway events

Enthalpy of formation of titanium diboride

International Nuclear Information System (INIS)

Akhachinskij, V.V.; Chirin, N.A.

1975-01-01

The values given in the literature for the enthalpy of the formation of titanium diboride, as obtained experimentally and by theoretical estimation, range between -32 and -74.4 kcal/mol. In this paper the authors use the method of direct synthesis from elements in a Calvet calorimeter to determine the enthalpy of formation, ΔHsub(f) 0 , sub(298), of titanium diboride with the composition Tisub(1.000+-0.002)Bsub(2.056+-0.006)Csub(0.009)Nsub(0.003), which was found to be -76.78+-0.83 kcal/mol. They calculate that ΔHsub(f,298) (TiBsub(2.056)=-76.14+-0.85 kcal/mol. The procedure employed makes it possible to carry out the titanium diboride synthesis reaction with the calorimeter at room temperature

Formation enthalpy of iron, chromium and aluminium vanadates

Energy Technology Data Exchange (ETDEWEB)

Kesler, Ya.A.; Cheshnitskij, S.M.; Fotiev, A.A.; Tret' yakov, Yu.D.

1985-04-01

The enthalpies of formation of FeVO/sub 4/, CrVO/sub 4/ and AlVO/sub 4/ orthovanadates are determined. The method for measuring reaction heats of direct synthesis of oxide compounds is used. All experiments have been conducted at 973 K. The measurements have been performed by the drop-calorimetry method using high temperature differential microcalorimeter. The specified enthalpy values of FeVO/sub 4/, CrVO/sub 4/, AlVO/sub 4/ and FeCr(VO/sub 4/)/sub 2/ formation are obtained.

What is the enthalpy of formation of pyrazine-2-carboxylic acid?

International Nuclear Information System (INIS)

Miranda, Margarida S.; Duarte, Darío J.R.; Liebman, Joel F.

2016-01-01

There are two contemporary conflicting, indeed, incompatible determinations of measurements of the enthalpies of combustion and of formation of pyrazine-2-carboxylic acid in the literature, (−2268.0 ± 0.9 and −271.2 ± 1.1 kJ · mol −1 ) and (−2211.4 ± 0.9 and −327.8 ± 1.1 kJ · mol −1 ). The current paper discusses these two sets of values and from the use of a measurement of the enthalpy of sublimation, a newly evaluated enthalpy of formation of pyrazine itself, and of the quantum chemical calculations at the G3(MP2)//B3LYP level, the former results are accepted and the derived gas phase enthalpy of formation, −(167.6 ± 3.1) kJ · mol −1 , suggested.

Improved algorithm based on equivalent enthalpy drop method of pressurized water reactor nuclear steam turbine

International Nuclear Information System (INIS)

Wang Hu; Qi Guangcai; Li Shaohua; Li Changjian

2011-01-01

Because it is difficulty to accurately determine the extraction steam turbine enthalpy and the exhaust enthalpy, the calculated result from the conventional equivalent enthalpy drop method of PWR nuclear steam turbine is not accurate. This paper presents the improved algorithm on the equivalent enthalpy drop method of PWR nuclear steam turbine to solve this problem and takes the secondary circuit thermal system calculation of 1000 MW PWR as an example. The results show that, comparing with the design value, the error of actual thermal efficiency of the steam turbine cycle obtained by the improved algorithm is within the allowable range. Since the improved method is based on the isentropic expansion process, the extraction steam turbine enthalpy and the exhaust enthalpy can be determined accurately, which is more reasonable and accurate compared to the traditional equivalent enthalpy drop method. (authors)

Enthalpy of Vaporization by Gas Chromatography: A Physical Chemistry Experiment

Science.gov (United States)

Ellison, Herbert R.

2005-01-01

An experiment is conducted to measure the enthalpy of vaporization of volatile compounds like methylene chloride, carbon tetrachloride, and others by using gas chromatography. This physical property was measured using a very tiny quantity of sample revealing that it is possible to measure the enthalpies of two or more compounds at the same time.

Aerosol volatility and enthalpy of sublimation of carboxylic acids.

Science.gov (United States)

Salo, Kent; Jonsson, Asa M; Andersson, Patrik U; Hallquist, Mattias

2010-04-08

The enthalpy of sublimation has been determined for nine carboxylic acids, two cyclic (pinonic and pinic acid) and seven straight-chain dicarboxylic acids (C(4) to C(10)). The enthalpy of sublimation was determined from volatility measurements of nano aerosol particles using a volatility tandem differential mobility analyzer (VTDMA) set-up. Compared to the previous use of a VTDMA, this novel method gives enthalpy of sublimation determined over an extended temperature range (DeltaT approximately 40 K). The determined enthalpy of sublimation for the straight-chain dicarboxylic acids ranged from 96 to 161 kJ mol(-1), and the calculated vapor pressures at 298 K are in the range of 10(-6)-10(-3) Pa. These values indicate that dicarboxylic acids can take part in gas-to-particle partitioning at ambient conditions and may contribute to atmospheric nucleation, even though homogeneous nucleation is unlikely. To obtain consistent results, some experimental complications in producing nanosized crystalline aerosol particles were addressed. It was demonstrated that pinonic acid "used as received" needed a further purification step before being suspended as a nanoparticle aerosol. Furthermore, it was noted from distinct differences in thermal properties that aerosols generated from pimelic acid solutions gave two types of particles. These two types were attributed to crystalline and amorphous configurations, and based on measured thermal properties, the enthalpy of vaporization was 127 kJ mol(-1) and that of sublimation was 161 kJ mol(-1). This paper describes a new method that is complementary to other similar methods and provides an extension of existing experimental data on physical properties of atmospherically relevant compounds.

Enthalpy and void distributions in subchannels of PHWR fuel bundles

Energy Technology Data Exchange (ETDEWEB)

Park, J W; Choi, H; Rhee, B W [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

1999-12-31

Two different types of the CANDU fuel bundles have been modeled for the ASSERT-IV code subchannel analysis. From calculated values of mixture enthalpy and void fraction distribution in the fuel bundles, it is found that net buoyancy effect is pronounced in the central region of the DUPIC fuel bundle when compared with the standard CANDU fuel bundle. It is also found that the central region of the DUPIC fuel bundle can be cooled more efficiently than that of the standard fuel bundle. From the calculated mixture enthalpy distribution at the exit of the fuel channel, it is found that the mixture enthalpy and void fraction can be highest in the peripheral region of the DUPIC fuel bundle. On the other hand, the enthalpy and the void fraction were found to be highest in the central region of the standard CANDU fuel bundle at the exit of the fuel channel. This study shows that the subchannel analysis is very useful in assessing thermal behavior of the fuel bundle that could be used in CANDU reactors. 10 refs., 4 figs., 2 tabs. (Author)

Enthalpy and void distributions in subchannels of PHWR fuel bundles

Energy Technology Data Exchange (ETDEWEB)

Park, J. W.; Choi, H.; Rhee, B. W. [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

1998-12-31

Two different types of the CANDU fuel bundles have been modeled for the ASSERT-IV code subchannel analysis. From calculated values of mixture enthalpy and void fraction distribution in the fuel bundles, it is found that net buoyancy effect is pronounced in the central region of the DUPIC fuel bundle when compared with the standard CANDU fuel bundle. It is also found that the central region of the DUPIC fuel bundle can be cooled more efficiently than that of the standard fuel bundle. From the calculated mixture enthalpy distribution at the exit of the fuel channel, it is found that the mixture enthalpy and void fraction can be highest in the peripheral region of the DUPIC fuel bundle. On the other hand, the enthalpy and the void fraction were found to be highest in the central region of the standard CANDU fuel bundle at the exit of the fuel channel. This study shows that the subchannel analysis is very useful in assessing thermal behavior of the fuel bundle that could be used in CANDU reactors. 10 refs., 4 figs., 2 tabs. (Author)

Vapour pressure and enthalpy of vaporization of aliphatic poly-amines

International Nuclear Information System (INIS)

Efimova, Anastasia A.; Emel'yanenko, Vladimir N.; Verevkin, Sergey P.; Chernyak, Yury

2010-01-01

Molar enthalpies of vaporization of aliphatic poly-amines: 1,4-dimethylpiperazine [106-58-1], 1-(2-aminoethyl)-piperazine, [140-31-8], 1-(2-aminoethyl)-4-methyl-piperazine [934-98-5], and triethylenetetramine [112-24-3] were obtained from the temperature dependence of the vapour pressure measured by the transpiration method. A large number of the primary experimental results on temperature dependences of vapour pressures of the parent compounds have been collected from the literature and have been treated uniformly in order to derive vaporization enthalpies of poly-amines at the reference temperature 298.15 K. An internal consistency check was performed on enthalpy of vaporization values for poly-amines studied in this work.

The excess enthalpies of liquid Ge-Pb-Te alloys

International Nuclear Information System (INIS)

Blachnik, R.; Binder, J.; Schlieper, A.

1997-01-01

The excess enthalpies of liquid alloys in the ternary system Ge-Pb-Te were determined at 1210 K in a heat flow calorimeter for five sections Ge y Pb 1-y -Te with y = 0.2, 0.4, 0.5, 0.6 and 0.8 and at 1153 K for Ge 0.5 Pb 0.5 -Te. The enthalpy surface in the ternary system is determined by a valley of exothermic minima, stretching from an exothermic minimum at the composition GeTe to one at the composition PbTe in the respective binaries. The excess enthalpies in the limiting metallic binary were adapted with the Redlich-Kister formalism. For the description of the thermodynamic functions in the ternary system the equation of Bonnier was taken using ternary coefficients. The calculated curves are in good agreement with the experimental data. (orig.)

Currents, HF Radio-derived, SF Bay Outlet, 1 hr, Meridional, EXPERIMENTAL

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — The data is the 1 hour average of the meridional component of ocean surface currents derived from High Frequency Radio-derived measurements. THIS IS AN EXPERIMENTAL...

Enthalpy of sublimation/vaporization of trans-cyclohexyl-1,4-diamine and cis-cyclohexyl-1,2-diamine

International Nuclear Information System (INIS)

Tome, Luciana I.N.; Rosado, Mario T.S.; Nunes, Sandra C.C.; Maria, Teresa M.R.; Canotilho, Joao; Eusebio, M. Ermelinda S.

2007-01-01

The molar enthalpy of sublimation, Δ cr g H m 0 , of trans-cyclohexyl-1,4-diamine and the molar enthalpy of vaporization, Δ l g H m 0 , of cis-cyclohexyl-1,2-diamine, at the temperature 298.15 K, were determined by calorimetry. Δ cr g H m 0 (T=298.15K)=(105.0±0.8)kJ.mol -1 was obtained for the trans-isomer and Δ l g H m 0 (T=298.15K)=(62.2±1.0)kJ.mol -1 for the cis form. The molar enthalpy of fusion of the first compound, at T = 342.1 K, was determined by differential scanning calorimetry. The molar enthalpy of vaporization of the 1,4-isomer was estimated by combining the value of the enthalpy of sublimation with that of the enthalpy of fusion. The values obtained for molar standard enthalpy of vaporization and those available for the enthalpy of the diamines in the gas state were used to calculate the difference between the enthalpies of both compounds in the liquid state

Enthalpy estimation for thermal comfort and energy saving in air conditioning system

International Nuclear Information System (INIS)

Chu, C.-M.; Jong, T.-L.

2008-01-01

The thermal comfort control of a room must consider not only the thermal comfort level but also energy saving. This paper proposes an enthalpy estimation that is conducive for thermal comfort control and energy saving. The least enthalpy estimator (LEE) combines the concept of human thermal comfort with the theory of enthalpy to predict the load for a suitable setting pair in order to maintain more precisely the thermal comfort level and save energy in the air conditioning system

Enthalpy of formation of zircon

International Nuclear Information System (INIS)

Ellison, A.J.G.; Navrotsky, A.

1992-01-01

Using high-temperature solution calorimetry in molt 2PbO · B 2 O 3 , the enthalpy of reaction of the formation of zircon, ZrSiO 4 , from its constituent oxides has been determined: Δ 4 H 977 (ZrSiO 4 ) = -27.9 (±1.9) kJ/mol. With previously reported data for the heat contents of ZrO 2 SiO 2 and ZrSiO 4 and standard-state enthalpies of formation of ZrO 2 and SiO 2 , we obtain Δ f H 298 degrees. (ZrSiO 4 ) = -2034.2 (±3.1) kJ/mol and Δ t G 298 degrees (ZrSiO 4 ) = -1919.8 kJ/mol. The free energy value is in excellent agreement with a range previously estimated from solid-state reaction equilibria. At higher temperature also the data are in close agreement with existing data, though the data sets diverge somewhat with increasing T. In this paper the limitations of the data for predicting the breakdown temperature of zircon into its constituent oxides are discussed

Ionic liquids: differential scanning calorimetry as a new indirect method for determination of vaporization enthalpies.

Science.gov (United States)

Verevkin, Sergey P; Emel'yanenko, Vladimir N; Zaitsau, Dzmitry H; Ralys, Ricardas V; Schick, Christoph

2012-04-12

Differential scanning calorimetry (DSC) has been used to measure enthalpies of synthesis reactions of the 1-alkyl-3-methylimidazolium bromide [C(n)mim][Br] ionic liquids from 1-methylimidazole and n-alkyl bromides (with n = 4, 5, 6, 7, and 8). The optimal experimental conditions have been elaborated. Enthalpies of formation of these ionic liquids in the liquid state have been determined using the DSC results according to the Hess Law. The ideal-gas enthalpies of formation of [C(n)mim][Br] were calculated using the methods of quantum chemistry. They were used together with the DSC results to derive indirectly the enthalpies of vaporization of the ionic liquids under study. In order to validate the indirect determination, the experimental vaporization enthalpy of [C(4)mim][Br] was measured by using a quartz crystal microbalance (QCM). The combination of reaction enthalpy measurements by DSC with modern high-level first-principles calculations opens valuable indirect thermochemical options to obtain values of vaporization enthalpies of ionic liquids.

Standard molar enthalpies of formation of three methyl-pyrazole derivatives

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Cabral, Joana I.T.A.

2012-01-01

Highlights: ► Combustion calorimetry was used to determine Δ f H m ∘ (cr) of methyl-pyrazole derivatives. ► Vapour pressures were determined by the Knudsen mass-loss effusion technique. ► Gas-phase Δ f H m ∘ of the studied compounds have been derived. - Abstract: The standard (p ° = 0.1 MPa) molar enthalpies of formation of the crystalline 3-methyl-1-pyrazolecarboxamide; 3-methyl-3-pyrazoline-5-one; and 4-methyl-2-pyrazoline-5-one were derived from the standard massic energies of combustion, in oxygen, to yield CO 2 (g), H 2 O (l) and N 2 (g), at T = 298.15 K, measured by static bomb combustion calorimetry. The standard molar enthalpies of sublimation were calculated from the variation of the vapour pressures of each compound with temperature, measured by the Knudsen effusion technique. These two thermodynamic parameters yielded the standard molar enthalpies of formation of the pyrazole derivatives, in the gaseous phase, at T = 298.15 K. The derived standard molar enthalpies of formation, in gaseous state, are analyzed in terms of enthalpic increments and interpreted in terms of molecular structure.

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds and Ionic Liquids. Sublimation, Vaporization, and Fusion Enthalpies from 1880 to 2015. Part 2. C11-C192

Science.gov (United States)

Acree, William; Chickos, James S.

2017-03-01

The second part of this compendium concludes with a collection of phase change enthalpies of organic molecules inclusive of C11-C192 reported over the period 1880-2015. Also included are phase change enthalpies including fusion, vaporization, and sublimation enthalpies for organometallic, ionic liquids, and a few inorganic compounds. Paper I of this compendium, published separately, includes organic compounds from C1 to C10 and describes a group additivity method for evaluating solid, liquid, and gas phase heat capacities as well as temperature adjustments of phase changes. Paper II of this compendium also includes an updated version of a group additivity method for evaluating total phase change entropies which together with the fusion temperature can be useful in estimating total phase change enthalpies. Other uses include application in identifying potential substances that either form liquid or plastic crystals or exhibit additional phase changes such as undetected solid-solid transitions or behave anisotropically in the liquid state.

Specification and comparative calculation of enthalpies and Gibbs formation energies of anhydrous lanthanide nitrates

International Nuclear Information System (INIS)

Del' Pino, Kh.; Chukurov, P.M.; Drakin, S.I.

1980-01-01

Analyzed are the results of experimental depermination of formation enthalpies of waterless nitrates of lanthane cerium, praseodymium, neodymium and samarium. Using method of comparative calculation computed are enthalpies of formation of waterless lanthanide and yttrium nitrates. Calculated values of enthalpies and Gibbs energies of waterless lanthanide nitrate formation are tabulated

Effects of electric fields in polymerization on enthalpy of PMAA anhydridization

Energy Technology Data Exchange (ETDEWEB)

Chang Zhenqi; Liu Gang; Zhang Zhicheng

2004-02-19

PMAA (polymethacrylic acid) polymerized by {gamma}-irradiation in electric field forms six-membered cyclic anhydride during heating process and the enthalpy of PMAA anhydridization was determined by DSC. Why the endothermic peak of PMAA anhydridization in DSC curve between 200 and 300 deg. C appears is particularly explained by calculation. The relations between applied electric field and the enthalpy of PMAA anhydridization are studied. The results show that, with the increases of the intensity of electric field in polymerization, the enthalpy of PMAA forming anhydrides nonlinearly increase, which might be related to orientation of carboxylic acid groups of the PMAA in an electric field.

Standard molar enthalpies of formation of 2-furancarbonitrile, 2-acetylfuran, and 3-furaldehyde

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Amaral, Luisa M.P.F.

2009-01-01

The standard (p 0 = 0.1 MPa) molar energies of combustion of 2-furancarbonitrile, 2-acetylfuran, and 3-furaldehyde were measured by static bomb combustion calorimetry; the Calvet high-temperature microcalorimetry was used to measure the enthalpies of vaporization of these liquid compounds. The standard molar enthalpies of formation of the three compounds, in the gaseous phase, at T = 298.15 K, have been derived from the corresponding standard molar enthalpies of formation in the liquid phase and the standard molar enthalpies of phase transition, as (106.8 ± 1.1) kJ . mol -1 , -(207.4 ± 1.3) kJ . mol -1 , and -(151.9 ± 1.1) kJ . mol -1 , for 2-furancarbonitrile, 2-acetylfuran, and 3-furaldehyde, respectively. Standard molar enthalpies of formation are discussed in terms of the isomerization ortho meta. Enthalpic increment values of the introduction of the functional groups -CN, -CHO, and -COCH 3 were also compared with some other heterocycles; i.e. thiophene and pyridine

Formation enthalpies of Al–Fe–Zr–Nd system calculated by using geometric and Miedema's models

Energy Technology Data Exchange (ETDEWEB)

Zhang, Lei [Department of Mathematics and Information Science, Guangxi College of Education, Nanning 530023 (China); Wang, Rongcheng; Tao, Xiaoma; Guo, Hui; Chen, Hongmei [College of Physical Science and Technology, Guangxi University, Nanning 530004 (China); Ouyang, Yifang, E-mail: ouyangyf@gxu.edu.cn [College of Physical Science and Technology, Guangxi University, Nanning 530004 (China)

2015-04-15

Formation enthalpy is important for the phase stability and amorphous forming ability of alloys. The formation enthalpies of Fe{sub 17}RE{sub 2} (RE=Ce, Pr, Nd, Gd and Er) obtained by Miedema's theory are in good agreement with those of the experiments. The dependence of formation enthalpy on concentration of Al for intermetallic (Al{sub x}Fe{sub 1−x}){sub 17}Nd{sub 2} have been calculated by Miedema's theory and the geometric model. The solid solubility of Al in (Al{sub x}Fe{sub 1−x}){sub 17}Nd{sub 2} is coincident with the concentration dependence of formation enthalpy. The mixing enthalpies of liquid alloys and formation enthalpies of alloys for Al–Fe–Zr–Nd system have been predicted. The calculated mixing enthalpy indicates that the adding of Fe or Nd decreases monotonously the magnitude of enthalpy. The formation enthalpies of Al–Fe–Zr–Nd system indicate that the shape of the enthalpy contour map changes when the content of Al is less than 50.0 at% and then it remains unchanged except the decrease of magnitude. The formation enthalpy of Al–Fe–Zr–Nd increases with the increase of Fe and/or Nd content. The negative formation enthalpy indicates that Al–Fe–Zr–Nd system has higher amorphous forming ability and wide amorphous forming range. The certain contents of Zr and/or Al are beneficial for the formation of Al–Fe–Zr–Nd intermetallics.

High-temperature enthalpies of plutonium monocarbide and plutonium sesquicarbide

International Nuclear Information System (INIS)

Oetting, F.L.

1979-01-01

The high-temperature enthalpies of plutonium monocarbide and plutonium sesquicarbide have been determined with a copper-block calorimeter of the isoperibol type. The experimental enthalpy data, which was measured relative to 298 K, covered the temperature range from 400 to 1500 K. The calculation of the temperature rise of the calorimeter takes into account the added heat evolution from the radioactive decay of the plutonium samples. These enthalpy results, combined with the heat capacity and entropy of the respective carbide at 298 K available from the literature, has made it possible to generate tables of thermodynamic functions for the plutonium carbides. The behavior of the heat capacity of both of the plutonium carbides, i.e., a relatively steep increase in the heat capacity as the temperature increases, may be attributed to a premelting effect with the formation of vacancies within the crystal lattice although a theoretical treatment of this phenomenon is not given

Determination of melting and solidification enthalpy of hypereutectic silumins

Directory of Open Access Journals (Sweden)

J. Piątkowski

2008-04-01

Full Text Available The study was related with determination of the values of enthalpy of melting and solidification of hypereutectic AlSi18, AlSi21 and AlSi24 silumins modified with phosphorus in the form of Cu-P. The calorimetry, preceded by thermal analysis and derivative thermal analysis (TA and DTA, respectively was carried out on a high-temperature scanning calorimeter, model MHTC-96, made by SETARAM, applying the method of direct determination of parameters of the high-temperature process, and in particular of the enthalpy of phase transformations. Modern control and measuring instruments coupled with PC computer provide a very precise tool for determination of these transformations. An additional advantage was development of appropriate software called „SETSOFT”, owing to which it was possible to determine in an easy way the enthalpy of the investigated phase transformations. Moreover, an additional thermal effect, related most probably with pre-eutectic crystallization of primary silicon, was observed and confirmed by calorimetric examinations.

A correct enthalpy relationship as thermal comfort index for livestock.

Science.gov (United States)

Rodrigues, Valéria Cristina; da Silva, Iran José Oliveira; Vieira, Frederico Márcio Corrêa; Nascimento, Sheila Tavares

2011-05-01

Researchers working with thermal comfort have been using enthalpy to measure thermal energy inside rural facilities, establishing indicator values for many situations of thermal comfort and heat stress. This variable turned out to be helpful in analyzing thermal exchange in livestock systems. The animals are exposed to an environment which is decisive for the thermoregulatory process, and, consequently, the reactions reflect states of thermal comfort or heat stress, the last being responsable for problems of sanity, behavior and productivity. There are researchers using enthalpy as a qualitative indicator of thermal environment of livestock such as poultry, cattle and hogs in tropical regions. This preliminary work intends to check different enthalpy equations using information from classical thermodynamics, and proposes a direct equation as thermal comfort index for livestock systems.

Structure of metal β-diketonates and their enthalpies of vaporization

International Nuclear Information System (INIS)

Domrachev, G.A.; Sevast'yanov, V.G.; Zakharov, L.N.; Krasnodubskaya, S.V.; AN SSSR, Moscow. Inst. Obshchej i Neorganicheskoj Khimii)

1987-01-01

Using the method of additive schemes in combinaion with the structural estimation of the degree of screening of the central atom and other elements of β-diketonate molecule while analyzing the experimental enthalpies of vaporization, the contributions of separate fragments of complexes into the enthalpy of vaporization are found. It is shown that energies of intermolecular interaction in a condensed phase of monomeric metal β-diketonates with identical substituents do not depend on the central atom type. The enthalpies of dimer dissociation in a series of rare earth dipivaloylmethanates calculated. The proposed approach is advisable fo selecting forms of metal β-diketonates, the most suitable for the purposes of deep purificaion, which are characterized by maximum chemical and physico-chemical selectivity with respect to impurities, chemical inertness to equipment material, container, etc

A commentary on the Atlantic meridional overturning circulation stability in climate models

Science.gov (United States)

Gent, Peter R.

2018-02-01

The stability of the Atlantic meridional overturning circulation (AMOC) in ocean models depends quite strongly on the model formulation, especially the vertical mixing, and whether it is coupled to an atmosphere model. A hysteresis loop in AMOC strength with respect to freshwater forcing has been found in several intermediate complexity climate models and in one fully coupled climate model that has very coarse resolution. Over 40% of modern climate models are in a bistable AMOC state according to the very frequently used simple stability criterion which is based solely on the sign of the AMOC freshwater transport across 33° S. In a recent freshwater hosing experiment in a climate model with an eddy-permitting ocean component, the change in the gyre freshwater transport across 33° S is larger than the AMOC freshwater transport change. This casts very strong doubt on the usefulness of this simple AMOC stability criterion. If a climate model uses large surface flux adjustments, then these adjustments can interfere with the atmosphere-ocean feedbacks, and strongly change the AMOC stability properties. AMOC can be shut off for many hundreds of years in modern fully coupled climate models if the hosing or carbon dioxide forcing is strong enough. However, in one climate model the AMOC recovers after between 1000 and 1400 years. Recent 1% increasing carbon dioxide runs and RCP8.5 future scenario runs have shown that the AMOC reduction is smaller using an eddy-resolving ocean component than in the comparable standard 1° ocean climate models.

Formation enthalpy of NiBe and Ni5Be21

International Nuclear Information System (INIS)

Ivanov, M.I.; Karpova, T.F.; Dalago, N.Yu.

1981-01-01

The method of dissolution calorimetry is used to determine standard enthalpies of NiBe and Ni 5 Be 21 formation, which are 84.8+-2.2 and (-669+-37)kJ/mol. The enthalpy values of NiBe and Ni 5 Be 21 at 331 K are shown to coincide (within the limits of errors of these values) with the values at the standard temperature of 298.15 K [ru

Enthalpy of sublimation/vaporization of trans-cyclohexyl-1,4-diamine and cis-cyclohexyl-1,2-diamine

OpenAIRE

Tomé, Luciana I. N.; Rosado, Mário T. S.; Nunes, Sandra C. C.; Maria, Teresa M. R.; Canotilho, João; Eusébio, M. Ermelinda S.

2007-01-01

The molar enthalpy of sublimation, , of trans-cyclohexyl-1,4-diamine and the molar enthalpy of vaporization, , of cis-cyclohexyl-1,2-diamine, at the temperature 298.15 K, were determined by calorimetry. was obtained for the trans-isomer and for the cis form. The molar enthalpy of fusion of the first compound, at T = 342.1 K, was determined by differential scanning calorimetry. The molar enthalpy of vaporization of the 1,4-isomer was estimated by combining the value of the enthalpy of sublimat...

Non-kinematic Flux-transport Dynamos Including the Effects of Diffusivity Quenching

Energy Technology Data Exchange (ETDEWEB)

Ichimura, Chiaki; Yokoyama, Takaaki [Department of Earth and Planetary Science, The University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)

2017-04-10

Turbulent magnetic diffusivity is quenched when strong magnetic fields suppress turbulent motion in a phenomenon known as diffusivity quenching. Diffusivity quenching can provide a mechanism for amplifying magnetic field and influencing global velocity fields through Lorentz force feedback. To investigate this effect, we conducted mean field flux-transport dynamo simulations that included the effects of diffusivity quenching in a non-kinematic regime. We found that toroidal magnetic field strength is amplified by up to approximately 1.5 times in the convection zone as a result of diffusivity quenching. This amplification is much weaker than that in kinematic cases as a result of Lorentz force feedback on the system’s differential rotation. While amplified toroidal fields lead to the suppression of equatorward meridional flow locally near the base of the convection zone, large-scale equatorward transport of magnetic flux via meridional flow, which is the essential process of the flux-transport dynamo, is sustainable in our calculations.

Calibration models for high enthalpy calorimetric probes.

Science.gov (United States)

Kannel, A

1978-07-01

The accuracy of gas-aspirated liquid-cooled calorimetric probes used for measuring the enthalpy of high-temperature gas streams is studied. The error in the differential temperature measurements caused by internal and external heat transfer interactions is considered and quantified by mathematical models. The analysis suggests calibration methods for the evaluation of dimensionless heat transfer parameters in the models, which then can give a more accurate value for the enthalpy of the sample. Calibration models for four types of calorimeters are applied to results from the literature and from our own experiments: a circular slit calorimeter developed by the author, single-cooling jacket probe, double-cooling jacket probe, and split-flow cooling jacket probe. The results show that the models are useful for describing and correcting the temperature measurements.

Wind Stress, METOP ASCAT, 0.25 degrees, Global, Near Real Time, Meridional

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — NOAA CoastWatch distributes near real time wind stress data in zonal, meridional, modulus, and wind stress curl sets. This data begins with wind velocity...

Enthalpies of formation of dihydroxybenzenes revisited: Combining experimental and high-level ab initio data

International Nuclear Information System (INIS)

Gonçalves, Elsa M.; Agapito, Filipe; Almeida, Tânia S.; Martinho Simões, José A.

2014-01-01

Highlights: • Thermochemistry of hydroxyphenols probed by experimental and theoretical methods. • A new paradigm for obtaining enthalpies of formation of crystalline compounds. • High-level ab initio results for the thermochemistry of gas-phase hydroxyphenols. • Sublimation enthalpies of hydroxyphenols determined by Calvet microcalorimetry. - Abstract: Accurate values of standard molar enthalpies of formation in condensed phases can be obtained by combining high-level quantum chemistry calculations of gas-phase enthalpies of formation with experimentally determined enthalpies of sublimation or vapourization. The procedure is illustrated for catechol, resorcinol, and hydroquinone. Using W1-F12, the gas-phase enthalpies of formation of these compounds at T = 298.15 K were computed as (−270.6, −269.4, and −261.0) kJ · mol −1 , respectively, with an uncertainty of ∼0.4 kJ · mol −1 . Using well characterised solid samples, the enthalpies of sublimation were determined with a Calvet microcalorimeter, leading to the following values at T = 298.15 K: (88.3 ± 0.3) kJ · mol −1 , (99.7 ± 0.4) kJ · mol −1 , and (102.0 ± 0.9) kJ · mol −1 , respectively. It is shown that these results are consistent with the crystalline structures of the compounds

Vaporization thermodynamics and enthalpy of formation of aluminum silicon carbide

International Nuclear Information System (INIS)

Behrens, R.G.; Rinehart, G.H.

1984-01-01

The vaporization thermodynamics of aluminum silicon carbide was investigated using Knudsen effusion mass spectrometry. Vaporization occurred incongruently to give Al(g), SiC(s), and graphite as reaction products. The vapor pressure of aluminum above (Al 4 SiC 4 + SiC + C) was measured using graphite effusion cells with orifice areas between 1.1 X 10 -2 and 3.9 X 10 -4 cm 2 . The vapor pressure of aluminum obtained between 1427 and 1784 K using an effusion cell with the smallest orifice area, 3.9 X 10 -4 cm 2 , is expressed as log p (Pa) = - (18567 + or - 86) (K/T) + (12.143 + or - 0.054) The third-law calculation of the enthalpy change for the reaction Al 4 SiC 4 (s) = 4Al(g) + SiC(hex) + 3C(s) using the present aluminum pressures gives ΔH 0 (298.15 K) = (1455 + or - 79) kJ /SUP ./ mol -1 . The corresponding second-law result is ΔH 0 (298.15 K) = (1456 + or - 47) kJ /SUP ./ mol -1 . The standard enthalpy of formation of Al 4 SiC 4 (s) from the elements calculated from the present vaporization enthalpy (third-law calculation) and the enthalpies of formation of Al(g) and hexagonal SiC is ΔH 0 /SUB f/ (298.15 K) = -(221 + or - 85) kJ /SUP ./ mol -1 . The standard enthalpy of formation of Al 4 SiC 4 (s) from its constituent carbides Al 4 C 3 (s) and SiC(c, hex) is calculated to be ΔH 0 (298.15 K) = (38 + or - 92) KJ /SUP ./ mol -1

Experimental standard molar enthalpies of formation of some methylbenzenediol isomers

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Lobo Ferreira, Ana I.M.C.

2009-01-01

The present work is part of a research program on the energetics of formation of alkyl substituted benzenediols, aiming the study of the enthalpic effect of the introduction of methyl substituents into benzenediols. In this work we present the results of the thermochemical research on 2-methylresorcinol, 3-methylresorcinol, 4-methylresorcinol, and methylhydroquinone. The standard (p 0 =0.1MPa) molar enthalpies of formation, in the crystalline phase, at T = 298.15 K, of the compounds mentioned above were derived from their standard massic energies of combustion, measured by static-bomb combustion calorimetry, while the standard molar enthalpies of sublimation of those compounds were obtained by the temperature dependence of their vapour pressures determined by the Knudsen effusion technique. From experimental values, the standard molar enthalpies of formation of the studied methylbenzenediols in the gaseous phase, at T = 298.15 K were then derived. The results are interpreted in terms of structural contributions to the energetics of the substituted benzenediols and compared with the same parameters estimated from the Cox Scheme. Moreover, the standard (p 0 =0.1MPa) molar enthalpies, entropies, and Gibbs energies of sublimation, at T = 298.15 K, were derived for the four isomers of methylbenzenediols.

Effect of Calcium chloride and Cadmium chloride on the enthalpy of ...

African Journals Online (AJOL)

This paper presents the effect of two dissolved inorganic salts, CaCl2 and CdCl2 on the enthalpy of mixing of the binary 1,4 dioxane + water system has been investigated at 303.15 K in an isothermal displacement calorimeter with vapour space. A significantly increasing trend in the endothermic excess enthalpy values for ...

Vapour pressures and enthalpies of vaporization of a series of the ferrocene derivatives

International Nuclear Information System (INIS)

Emel'yanenko, Vladimir N.; Verevkin, Sergey P.; Krol, Olesya V.; Varushchenko, Raisa M.; Chelovskaya, Nelly V.

2007-01-01

Vapour pressures of the ferrocene, ferrocene-methanol, benzyl-ferrocene, and benzoyl-ferrocene have been determined by the transpiration method. The molar enthalpies of sublimation Δ cr g H m and of vaporization Δ l g H m have been determined from the temperature dependence of the vapour pressure. The molar enthalpies of fusion of these compounds were measured by d.s.c. The measured data sets of vaporization, sublimation, and fusion enthalpies were checked for internal consistency

Enthalpies of formation of UAl1 and UAl3 by calorimetry

International Nuclear Information System (INIS)

Nagarajan, K.; Babu, R.; Mathews, C.K.

1993-01-01

Enthalpies of formation of the intermetallic compounds UAl 4 and UAl 3 at 298.15 K were determined by high temperature solution calorimetry in which liquid aluminium was used as the solvent. The thermal effects of dissolution of UAl 4 , UAl 3 and U in liquid aluminium were measured in separate experiments by dropping the samples held at the ambient temperature into liquid aluminium maintained at 980 K in the calorimeter. The thermal effects of dissolution of these samples at infinite dilution in liquid aluminium were derived from these measurements and based on this data the enthalpies of formation of UAl 4 and UAl 3 at 298.15 K were computed. The values obtained are ΔH f,298.15 (UAl 4 )=-126.5±13.3 kJ mol -1 and ΔH f,298.15 (UAl 3 )=-118.1±8.2 kJ mol -1 . The integral enthalpies of formation of U-Al alloys at 978 K, 1078 K and 1094 K were measured by dropping U samples maintained at the ambient temperature into liquid aluminium in the calorimeter at the experimental temperature. From the integral enthalpies of formation of U-Al alloys in the two phase regions, {U-Al}+ 4 > and {U-Al}+ 3 >, the enthalpies of formation of UAl 4 and UAl 3 , respectively, at the temperatures of measurement were derived. These results are discussed in comparison with the literature data. (orig.)

The Canary Basin contribution to the seasonal cycle of the Atlantic Meridional Overturning Circulation at 26°N

Science.gov (United States)

Pérez-Hernández, M. D.; McCarthy, G. D.; Vélez-Belchí, P.; Smeed, D. A.; Fraile-Nuez, E.; Hernández-Guerra, A.

2015-11-01

This study examines the seasonal cycle of the Atlantic Meridional Overturning Circulation (AMOC) and its eastern boundary contributions. The cycle has a magnitude of 6 Sv, as measured by the RAPID/MOCHA/WBTS project array at 26°N, which is driven largely by the eastern boundary. The eastern boundary variations are explored in the context of the regional circulation around the Canary Islands. There is a 3 month lag between maximum wind forcing and the largest eastern boundary transports, which is explained in terms of a model for Rossby wave generated at the eastern boundary. Two dynamic processes take place through the Lanzarote Passage (LP) in fall: the recirculation of the Canary Current and the northward flow of the Intermediate Poleward Undercurrent. In contrast, during the remaining seasons the transport through the LP is southward due to the Canary Upwelling Current. These processes are linked to the seasonal cycle of the AMOC.

Insights on activation enthalpy for non-Schmid slip in body-centered cubic metals

International Nuclear Information System (INIS)

Hale, Lucas M.; Lim, Hojun; Zimmerman, Jonathan A.; Battaile, Corbett C.; Weinberger, Christopher R.

2015-01-01

We use insights gained from atomistic simulation to develop an activation enthalpy model for dislocation slip in body-centered cubic iron. Using a classical potential that predicts dislocation core stabilities consistent with ab initio predictions, we quantify the non-Schmid stress-dependent effects of slip. The kink-pair activation enthalpy is evaluated and a model is identified as a function of the general stress state. Our model enlarges the applicability of the classic Kocks activation enthalpy model to materials with non-Schmid behavior

Standard molar enthalpies of formation of sodium alkoxides

International Nuclear Information System (INIS)

Chandran, K.; Srinivasan, T.G.; Gopalan, A.; Ganesan, V.

2007-01-01

The molar enthalpies of solution of sodium in methanol, ethanol, and n-propanol and of sodium alkoxides in their corresponding alcohols were measured at T=298.15K using an isoperibol solution calorimeter. From these results and other auxiliary data, the standard molar enthalpies of formation, Δ f H m o (RONa,cr) of sodium methoxide, sodium ethoxide, and sodium n-propoxide were calculated and found to be {(-366.21+/-1.38) (-413.39+/-1.45), and (-441.57+/-1.18)}kJ.mol -1 , respectively. A linear correlation has been found between Δ f H m o (RONa)andΔ f H m o (ROH) for R=n-alkyl, enabling the prediction of data for other sodium alkoxides

Standard molar enthalpies of formation of 2-, 3-, and 4-piperidinomethanol isomers

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Cabral, Joana I.T.A.

2006-01-01

The standard (p o =0.1MPa) molar energies of combustion in oxygen of 2-piperidinemethanol, 3-piperidinemethanol, and 4-piperidinemethanol, all in the crystalline phase, were measured, at T=298.15K, by static bomb calorimetry. These values were used to derive the standard molar enthalpies of combustion and the standard molar enthalpies of formation, in the condensed phase, for these compounds. Further, the standard molar enthalpies of sublimation, at T=298.15K, of these three piperidinomethanol isomers were determined by Cavet microcalorimetry. The combustion calorimetry results together with those from the Calvet microcalorimetry, were used to derive the standard molar enthalpies of formation, at T=298.15K, in the gaseous phase, of the three piperidinemethanol studied. -Δ c H m o (cr)Δ cr g H m o kJ.mol -1 kJ.mol -1 2-Piperidinemethanol3890.70+/-0.9293.02+/-0.503- Piperidinemethanol3895.3+/-1.195.9+/-1.44-Piperidinemethanol3891.3+/- 1.198.31+/-0.69

Experimental redetermination of the gas-phase enthalpy of formation of ethyl 2-thiophenecarboxylate

International Nuclear Information System (INIS)

Santos, Ana Filipa L.O.M.; Ribeiro da Silva, Manuel A.V.

2013-01-01

The condensed phase standard (p° = 0.1 MPa) molar enthalpy of formation of ethyl-2-thiophenecarboxylate was derived from the remeasured standard molar energy of combustion, in oxygen, at T = 298.15 K, by rotating bomb combustion calorimetry and the standard molar enthalpy of vaporization, at T = 298.15 K, remeasured by Calvet microcalorimetry. Combining these two values, the following enthalpy of formation in the gas phase, at T = 298.15 K, was then derived for ethyl-2-thiophenecarboxylate: −(277.7 ± 2.9) kJ · mol −1 . The calculated gas-phase enthalpy of formation of the title compound, through the G3(MP2)//B3LYP approach was found to be 278.9 kJ · mol −1 , in excellent agreement with the experimental measured value

A DOUBLE-RING ALGORITHM FOR MODELING SOLAR ACTIVE REGIONS: UNIFYING KINEMATIC DYNAMO MODELS AND SURFACE FLUX-TRANSPORT SIMULATIONS

International Nuclear Information System (INIS)

Munoz-Jaramillo, Andres; Martens, Petrus C. H.; Nandy, Dibyendu; Yeates, Anthony R.

2010-01-01

The emergence of tilted bipolar active regions (ARs) and the dispersal of their flux, mediated via processes such as diffusion, differential rotation, and meridional circulation, is believed to be responsible for the reversal of the Sun's polar field. This process (commonly known as the Babcock-Leighton mechanism) is usually modeled as a near-surface, spatially distributed α-effect in kinematic mean-field dynamo models. However, this formulation leads to a relationship between polar field strength and meridional flow speed which is opposite to that suggested by physical insight and predicted by surface flux-transport simulations. With this in mind, we present an improved double-ring algorithm for modeling the Babcock-Leighton mechanism based on AR eruption, within the framework of an axisymmetric dynamo model. Using surface flux-transport simulations, we first show that an axisymmetric formulation-which is usually invoked in kinematic dynamo models-can reasonably approximate the surface flux dynamics. Finally, we demonstrate that our treatment of the Babcock-Leighton mechanism through double-ring eruption leads to an inverse relationship between polar field strength and meridional flow speed as expected, reconciling the discrepancy between surface flux-transport simulations and kinematic dynamo models.

Enthalpy of solution of potassium iodide in the water-formamide-dimethyl sulfoxide mixtures

International Nuclear Information System (INIS)

Belova, L.N.; Solov'ev, S.N.; Vorob'ev, A.F.

1985-01-01

Solution enthalpies are measured for potassium iodide in the water-formamide-dimethyl sulfoxide mixtures in a sealed oscillating calorimeter with an isothermal shell at a constant water molar fraction equal to 0.3; 0.5 and 0.7 at 298.15 K. A diagram of the dependence of solution enthalpies on the of mixed solvent composition is plotted. Deviations of experimental solution enthalpies from the calculated ones are negative over the entire concentration range studied, which testifies to the preferable solvatation of electrolyte by the formid and dimthyl sulfoxide molecules

Experimental standard molar enthalpies of formation of some 4-alkoxybenzoic acids

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Lobo Ferreira, Ana I.M.C.; Maciel, Fabrice M.

2010-01-01

The present work is part of a research program on the energetics of the linear 4-n-alkoxybenzoic acids, aiming the study of the enthalpic effect of the introduction of an alkoxy chain in the position 4- of the benzoic acid ring. In this work, we present the results of the thermochemical research on 4-n-alkoxybenzoic acids with the alkoxy chain length n = 2, 4, and 8. The standard (p 0 =0.1MPa) molar enthalpy of formation of crystalline 4-ethoxybenzoic acid, 4-butoxybenzoic acid, and 4-(octyloxy)benzoic acid was measured, at T = 298.15 K, by static-bomb calorimetry. These values, combined with the values of standard molar enthalpies of sublimation, were used to derive the standard molar enthalpies of formation in the gaseous phase.

Impact of the new equation of state of seawater (TEOS-10) on the estimates of water mass mixture and meridional transport in the Atlantic Ocean

Science.gov (United States)

Almeida, Lucas; de Azevedo, José Luiz Lima; Kerr, Rodrigo; Araujo, Moacyr; Mata, Mauricio M.

2018-03-01

The equation of state of seawater (EOS) provides a simple way to link the properties of seawater that are the most important for ocean dynamics and the ocean-atmosphere climate system. In 2010, the set of equations used to derive all thermodynamic properties of seawater were updated using a thermodynamic approach. The new approach, named TEOS-10, results in better estimates of seawater properties, such as salinity and temperature, when compared to the previous EOS version (EOS-80). Since several physical processes in the oceans are driven by these properties, improvements in the EOS performance are expected to lead to a better and more realistic representation of the ocean. This work focuses on assessing the main differences of the: (i) contribution of water masses to a total mixture, (ii) baroclinic velocity, and (iii) volume and heat transport, as calculated by the EOS-80 and by the TEOS-10, along four zonal transects at 26.5°N, 10°N, 11°S, and 34.5°S in the Atlantic Ocean. The density differences (always between TEOS-10 and EOS-80) increase with depth and hence the results indicate that the most significant difference in the water mass contributions was found for Antarctic Bottom Water. Within that layer, the differences reach up to 10% on its fraction of the mixture when calculated by the TEOS-10, although the difference in the North Atlantic Deep Water contribution was not negligible either. The estimated baroclinic velocities showed considerable differences in all studied areas, being more significant over boundary current systems. The Gulf Stream presented lower velocity, while the Brazil Current presented increasing velocity when using TEOS-10. The comparison between values computed for volume transported by the Atlantic Meridional Overturning Circulation showed a total difference of about +6%, which cannot be neglected when considering the space and time variability involved. The heat transport showed significant differences in the study areas at the

Recommended sublimation pressure and enthalpy of benzene

Czech Academy of Sciences Publication Activity Database

Růžička, K.; Fulem, Michal; Červinka, C.

2014-01-01

Roč. 68, Jan (2014), s. 40-47 ISSN 0021-9614 Institutional support: RVO:68378271 Keywords : benzene * vapor pressure * heat capacity * ideal - gas thermodynamic properties * sublimation enthalpy * recommended vapor pressure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.679, year: 2014

Enthalpy of vaporization and vapor pressure of whiskey lactone and menthalactone by correlation gas chromatography

International Nuclear Information System (INIS)

Simmons, Daniel; Chickos, James

2017-01-01

Highlights: • The vapor pressure and vaporization enthalpies of cis and trans-whiskey lactone have been evaluated. • Enthalpies of vaporization and vapor pressures of (+)-isomintlactone and (−)-mintlactone were also evaluated. • The sublimation enthalpy and corresponding vapor pressure of (+) -isomintlactone at T = 298.15 K is estimated. - Abstract: Enthalpies of vaporization at T = 298.15 K of cis and trans-whiskey lactone have been evaluated by correlation gas chromatography to be (68.4 ± 1.7) kJ·mol −1 and (67.5 ± 1.7) kJ·mol −1 , respectively. The enthalpies of vaporization of isomintlactone and mintlactone also evaluated by correlation gas chromatography have been found to have vaporization enthalpies of (74.2 ± 1.8) kJ·mol −1 and (73.2 ± 1.8) kJ·mol −1 respectively. The vapor pressures for cis and trans-whiskey lactone at T = 298.15 K have been evaluated as (1.5 ± 0.09) Pa and (2.0 ± 0.1) Pa using vapor pressures of a series of lactones as standards. Vapor pressures for isomintlactone and mintlactone were evaluated as (0.26 ± 0.012) Pa and (0.33 ± 0.02) Pa, respectively. Fusion and sublimation enthalpies for (+)-isomintlactone as well as the vapor pressure of the solid have been estimated.

Wind Stress, QuikSCAT SeaWinds, 0.25 degrees, Global, Science Quality, Meridional

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — NOAA CoastWatch distributes science quality wind stress data in zonal, meridional, modulus, and wind stress curl sets. This data begins with wind velocity...

Enthalpy of mixing of liquid Ag–Bi–Cu alloys at 1073 K

International Nuclear Information System (INIS)

Fima, Przemysław; Flandorfer, Hans

2014-01-01

Highlights: • Partial and integral mixing enthalpies of liquid Ag–Bi–Cu alloys were determined. • Integral mixing enthalpies are small and endothermic, similar to limiting binaries. • The ternary data were fitted on the basis of Redlich–Kister–Muggianu model. - Abstract: The Ag–Bi–Cu system is among those ternary systems which have not been fully studied yet, in particular the thermodynamic description of the liquid phase is missing. Partial and integral enthalpies of mixing of liquid ternary Ag–Bi–Cu alloys were determined over a broad composition range along six sections: x(Ag)/x(Bi) = 0.25, 1, 4; x(Ag)/x(Cu) = 1.5; x(Bi)/x(Cu) = 1.86, 4. Measurements were carried out at 1073 K using two Calvet type microcalorimeters and drop calorimetric technique. It was found that integral enthalpies of mixing are small and endothermic, similarly to limiting binary alloys. The ternary data were fitted on the basis of an extended Redlich–Kister–Muggianu model for substitutional solutions. There are no significant additional ternary interactions

Enthalpy of mixing of liquid Cu-Fe-Hf alloys at 1873 K

Energy Technology Data Exchange (ETDEWEB)

Agraval, Pavel; Turchanin, Mikhail [Donbass State Engineering Academy, Kramatorsk (Ukraine). Metallurgical Dept.; Dreval, Liya [Donbass State Engineering Academy, Kramatorsk (Ukraine). Metallurgical Dept.; Materials Science International Services GmbH (MSI), Stuttgart (Germany)

2016-12-15

In the ternary Cu-Fe-Hf system, the mixing enthalpies of liquid alloys were investigated at 1873 K using a high-temperature isoperibolic calorimeter. The experiments were performed along the sections x{sub Cu}/x{sub Fe} = 3/1, 1/1 at x{sub Hf} = 0-0.47 and along the section x{sub Cu}/x{sub Fe} = 1/3 at x{sub Hf} = 0-0.13. The limiting partial enthalpies of mixing of undercooled liquid hafnium in liquid Cu-Fe alloys, Δ{sub mix} anti H{sub Hf}{sup ∞}, are (-122 ± 9) kJ mol{sup -1} (section x{sub Cu}/x{sub Fe} = 3/1), (-106 ± 9) kJ mol{sup -1} (section x{sub Cu}/x{sub Fe} = 1/1), and (-105 ± 2) kJ mol{sup -1} (section x{sub Cu}/x{sub Fe} = 1/3). In the investigated composition range, the integral mixing enthalpies are sign-changing. For the integral mixing enthalpy, an analytical expression was obtained by the least squares fit of the experimental results using the Redlich-Kister-Muggianu polynomial.

Characterization of Adsorption Enthalpy of Novel Water-Stable Zeolites and Metal-Organic Frameworks

Science.gov (United States)

Kim, Hyunho; Cho, H. Jeremy; Narayanan, Shankar; Yang, Sungwoo; Furukawa, Hiroyasu; Schiffres, Scott; Li, Xiansen; Zhang, Yue-Biao; Jiang, Juncong; Yaghi, Omar M.; Wang, Evelyn N.

2016-01-01

Water adsorption is becoming increasingly important for many applications including thermal energy storage, desalination, and water harvesting. To develop such applications, it is essential to understand both adsorbent-adsorbate and adsorbate-adsorbate interactions, and also the energy required for adsorption/desorption processes of porous material-adsorbate systems, such as zeolites and metal-organic frameworks (MOFs). In this study, we present a technique to characterize the enthalpy of adsorption/desorption of zeolites and MOF-801 with water as an adsorbate by conducting desorption experiments with conventional differential scanning calorimetry (DSC) and thermogravimetric analyzer (TGA). With this method, the enthalpies of adsorption of previously uncharacterized adsorbents were estimated as a function of both uptake and temperature. Our characterizations indicate that the adsorption enthalpies of type I zeolites can increase to greater than twice the latent heat whereas adsorption enthalpies of MOF-801 are nearly constant for a wide range of vapor uptakes.

The enthalpy of sublimation and thermodynamic functions of fermium

International Nuclear Information System (INIS)

Haire, R.G.; Gibson, J.K.

1989-01-01

The enthalpy of sublimation of fermium (Fm), element 100, has now been determined directly by measuring the partial pressure of Fm over alloys, for the temperature range of 642 to 905 K. The partial pressures were determined using Knudsen effusion and target collection techniques. Dilute (10 -5 --10 -7 atom %) solid alloys of Fm and mixtures of Fm and Es in both Sm and Yb solvents were studied. The presence of Es in two of the alloys allowed a direct comparison of the behavior of Fm and Es, where the latter could be used as a reference. It was possible to calculate enthalpies of sublimation and a hypothetical vapor pressure/temperature relationship for pure Fm metal by selecting Yb as the solvent most likely to form a nearly ideal alloy with Fm. From the experimental vapor pressure data, we derived average Second Law values of 33.8±3 kcal/mol and 23.5±3 cal/mol deg for the enthalpy and entropy of sublimation of Fm at 298 K. Third Law enthalpy values were also calculated using the experimental partial pressure data and entropies estimated from derived free energy functions and heat capacities for the solid and gaseous forms of Fm. The average Third Law values (34.8 kcal/mol and 25.1 cal/mol deg, respectively, at 298 K) are in agreement with those obtained via the Second Law. These results establish that Fm, like Es (element 99), is a divalent metal. The finding that Fm metal is the second divalent actinide element experimentally establishes the trend towards metallic divalency expected in the second half of the actinide series

Standard enthalpy of formation of Sm6UO12 acid dissolution calorimetry

International Nuclear Information System (INIS)

Venkata Krishnan, R.; Jogeswararao, G.; Ananthasivan, K.

2016-01-01

The standard molar enthalpies of formation of Δ f (298 K) of Sm 6 UO 12 have been determined by using an indigenously developed isoperibol acid solution calorimeter. The water equivalent of this calorimeter was determined by electrical calibration. The accuracy of measurement were determined by using standard materials KCl and tris(hydroxyl methyl) amino-methane (TRIS) and was found to be within ±2%. The enthalpies of solution at 298 K of Sm 2 O 3 , UO 3 and Sm 6 UO 12 were measured by using this calorimeter. From these experimental results the enthalpies of formation of Sm 6 UO 12 at 298 K were computed by using Hess's law of summation. (author)

Wind Diffusivity Current, METOP ASCAT, 0.25 degrees, Global, Near Real Time, Meridional

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — NOAA CoastWatch distributes near real time Ekman current (in zonal, meridional, and modulus sets) and Ekman upwelling data. This data begins with wind velocity...

Tracing global biogeochemical cycles and meridional overturning circulation using chromophoric dissolved organic matter

Science.gov (United States)

Nelson, Norman B.; Siegel, David A.; Carlson, Craig A.; Swan, Chantal M.

2010-02-01

Basin-scale distributions of light absorption by chromophoric dissolved organic matter (CDOM) are positively correlated (R2 > 0.8) with apparent oxygen utilization (AOU) within the top kilometer of the Pacific and Indian Oceans. However, a much weaker correspondence is found for the Atlantic (R2 organic matter from sinking particles. The observed meridional-depth sections of CDOM result from a balance between biogeochemical processes (autochthonous production and solar bleaching) and the meridional overturning circulation. Rapid mixing in the Atlantic dilutes CDOM in the interior and implies that the time scale for CDOM accumulation is greater than ˜50 years. CDOM emerges as a unique tracer for diagnosing changes in biogeochemistry and the overturning circulation, similar to dissolved oxygen, with the additional feature that it can be quantified from satellite observation.

Phase behavior and reactive transport of partial melt in heterogeneous mantle model

Science.gov (United States)

Jordan, J.; Hesse, M. A.

2013-12-01

The reactive transport of partial melt is the key process that leads to the chemical and physical differentiation of terrestrial planets and smaller celestial bodies. The essential role of the lithological heterogeneities during partial melting of the mantle is increasingly recognized. How far can enriched melts propagate while interacting with the ambient mantle? Can the melt flow emanating from a fertile heterogeneity be localized through a reactive infiltration feedback in a model without exogenous factors or contrived initial conditions? A full understanding of the role of heterogeneities requires reactive melt transport models that account for the phase behavior of major elements. Previous work on reactive transport in the mantle focuses on trace element partitioning; we present the first nonlinear chromatographic analysis of reactive melt transport in systems with binary solid solution. Our analysis shows that reactive melt transport in systems with binary solid solution leads to the formation of two separate reaction fronts: a slow melting/freezing front along which enthalpy change is dominant and a fast dissolution/precipitation front along which compositional changes are dominated by an ion-exchange process over enthalpy change. An intermediate state forms between these two fronts with a bulk-rock composition and enthalpy that are not necessarily bounded by the bulk-rock composition and enthalpy of either the enriched heterogeneity or the depleted ambient mantle. The formation of this intermediate state makes it difficult to anticipate the porosity changes and hence the stability of reaction fronts. Therefore, we develop a graphical representation for the solution that allows identification of the intermediate state by inspection, for all possible bulk-rock compositions and enthalpies of the heterogeneity and the ambient mantle. We apply the analysis to the partial melting of an enriched heterogeneity. This leads to the formation of moving precipitation

Mechanisms for decadal scale variability in a simulated Atlantic meridional overturning circulation

Energy Technology Data Exchange (ETDEWEB)

Medhaug, I.; Eldevik, T.; Furevik, T. [University of Bergen, Geophysical Institute, Bergen (Norway); Bjerknes Centre for Climate Research, Bergen (Norway); Langehaug, H.R. [Nansen Environmental and Remote Sensing Center, Bergen (Norway); Bjerknes Centre for Climate Research, Bergen (Norway); Bentsen, M. [Uni Bjerknes Centre, Uni Research, Bergen (Norway); Bjerknes Centre for Climate Research, Bergen (Norway)

2012-07-15

Variability in the Atlantic Meridional Overturning Circulation (AMOC) has been analysed using a 600-year pre-industrial control simulation with the Bergen Climate Model. The typical AMOC variability has amplitudes of 1 Sverdrup (1 Sv = 10{sup 6} m{sup 3} s{sup -1}) and time scales of 40-70 years. The model is reproducing the observed dense water formation regions and has very realistic ocean transports and water mass distributions. The dense water produced in the Labrador Sea (1/3) and in the Nordic Seas, including the water entrained into the dense overflows across the Greenland-Scotland Ridge (GSR; 2/3), are the sources of North Atlantic Deep Water (NADW) forming the lower limb of the AMOC's northern overturning. The variability in the Labrador Sea and the Nordic Seas convection is driven by decadal scale air-sea fluxes in the convective region that can be related to opposite phases of the North Atlantic Oscillation. The Labrador Sea convection is directly linked to the variability in AMOC. Linkages between convection and water mass transformation in the Nordic Seas are more indirect. The Scandinavian Pattern, the third mode of atmospheric variability in the North Atlantic, is a driver of the ocean's poleward heat transport (PHT), the overall constraint on northern water mass transformation. Increased PHT is both associated with an increased water mass exchange across the GSR, and a stronger AMOC. (orig.)

Variability of Irreversible Poleward Transport in the Lower Stratosphere

Science.gov (United States)

Olsen, Mark; Douglass, Anne; Newman, Paul; Nash, Eric; Witte, Jacquelyn; Ziemke, Jerry

2011-01-01

The ascent and descent of the Brewer-Dobson circulation plays a large role in determining the distributions of many constituents in the extratropical lower stratosphere. However, relatively fast, quasi-horizontal transport out of the tropics and polar regions also significantly contribute to determining these distributions. The tropical tape recorder signal assures that there must be outflow from the tropics into the extratropical lower stratosphere. The phase of the quasi-biennial oscillation (QBO) and state of the polar vortex are known to modulate the transport from the tropical and polar regions, respectively. In this study we examine multiple years of ozone distributions in the extratropical lower stratosphere observed by the Aura Microwave Limb Sounder (MLS) and the Aura High Resolution Dynamic Limb Sounder (HIRDLS). The distributions are compared with analyses of irreversible, meridional isentropic transport. We show that there is considerable year-to-year seasonal variability in the amount of irreversible transport from the tropics, which is related to both the phase of the QBO and the state of the polar vortex. The reversibility of the transport is consistent with the number of observed breaking waves. The variability of the atmospheric index of refraction in the lower stratosphere is shown to be significantly correlated with the wave breaking and amount of irreversible transport. Finally, we will show that the seasonal extratropical stratosphere to troposphere transport of ozone can be substantially modulated by the amount of irreversible meridional transport in the lower stratosphere and we investigate how observable these differences are in data of tropospheric ozone.

Direct determination of enthalpies of solid phase reactions by immersion method; Determination directe des enthalpies de reaction en phase solide par une methode de plongee

Energy Technology Data Exchange (ETDEWEB)

Roux, A; Richard, M; Eyraud, L; Stevanovic, M; Elston, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1967-07-01

It is not generally possible to measure the enthalpy change corresponding to solid phase reactions using the dynamic differential thermal analysis method because these reactions are usually too slow at the temperature of operation of present equipment. A ballistic differential thermal analysis apparatus has been developed which is based on an immersion-compensation method; it overcomes the difficulties previously encountered. This apparatus has been used after calibration for determining the enthalpies of formation of calcium and cadmium titanates. and also the Wigner energies of BeO, MgO and Al{sub 2}O{sub 3} samples irradiated at variable dose at a temperature of under 100 deg. C. (authors) [French] Il n'est generalement pas possible de mesurer la variation d'enthalpie correspondant aux reactions en phase solide par la methode d'analyse thermique differentielle dynamique. En effet, ces reactions sont le plus souvent trop lentes aux temperatures d'utilisation des dispositifs actuels. Un appareil d'analyse thermique differentielle balistique, base sur une methode de plongee avec compensation, a ete mis au point et permet de surmonter les difficultes precedentes. Apres etalonnages, cet appareil a ete utilise pour la determination des enthalpies de formation du titanate de calcium et du titanate de cadmium ainsi que pour celle des energies Wigner emmagasinees dans des echantillons de BeO, MgO et Al{sub 2}O{sub 3} irradies a une temperature inferieure a 100 deg. C et a differentes doses. (auteurs)

Standard molar enthalpy of formation of 1-benzosuberone: An experimental and computational study

International Nuclear Information System (INIS)

Miranda, Margarida S.; Morais, Victor M.F.; Matos, M. Agostinha R.; Liebman, Joel F.

2010-01-01

The energetics of 1-benzosuberone was studied by a combination of calorimetric techniques and computational calculations. The standard (p o = 0.1 MPa) molar enthalpy of formation of 1-benzosuberone, in the liquid phase, was derived from the massic energy of combustion, in oxygen, at T = 298.15 K, measured by static bomb combustion calorimetry. The standard molar enthalpy of vaporization, at T = 298.15 K, was measured by Calvet microcalorimetry. From these two parameters the standard (p o = 0.1 MPa) molar enthalpy of formation, in the gaseous phase, at T = 298.15 K, was derived: -(96.1 ± 3.4) kJ . mol -1 . The G3(MP2)//B3LYP composite method and appropriate reactions were used to computationally calculate the standard molar enthalpy of formation of 1-benzosuberone, in the gaseous phase, at T = 298.15 K. The computational results are in very good agreement with the experimental value.

Characterization of Adsorption Enthalpy of Novel Water-Stable Zeolites and Metal-Organic Frameworks

Science.gov (United States)

Kim, Hyunho; Cho, H. Jeremy; Narayanan, Shankar; Yang, Sungwoo; Furukawa, Hiroyasu; Schiffres, Scott; Li, Xiansen; Zhang, Yue-Biao; Jiang, Juncong; Yaghi, Omar M.; Wang, Evelyn N.

2016-01-01

Water adsorption is becoming increasingly important for many applications including thermal energy storage, desalination, and water harvesting. To develop such applications, it is essential to understand both adsorbent-adsorbate and adsorbate-adsorbate interactions, and also the energy required for adsorption/desorption processes of porous material-adsorbate systems, such as zeolites and metal-organic frameworks (MOFs). In this study, we present a technique to characterize the enthalpy of adsorption/desorption of zeolites and MOF-801 with water as an adsorbate by conducting desorption experiments with conventional differential scanning calorimetry (DSC) and thermogravimetric analyzer (TGA). With this method, the enthalpies of adsorption of previously uncharacterized adsorbents were estimated as a function of both uptake and temperature. Our characterizations indicate that the adsorption enthalpies of type I zeolites can increase to greater than twice the latent heat whereas adsorption enthalpies of MOF-801 are nearly constant for a wide range of vapor uptakes. PMID:26796523

Investigation of enthalpy and specific heat of the gallium-indium-tin eutectic alloy

International Nuclear Information System (INIS)

Roshchupkin, V.V.; Migaj, L.L.; Fordeeva, L.K.; Perlova, N.L.

1978-01-01

Enthalpy and specific heat of the fusible (melting point is 10.6 deg C) eutectic alloy (67% Ga - 20.5% In - 12.5% Sn according to mass) are determined by the mixing method. The determination was carried out in vacuum at the residual pressure of >= 1x10 -5 torr in the temperature range from 59.3 to 437.0 deg C. It is established that temperature dependence of alloy enthalpy is described by the equation: Hsub(t) - Hsub(0degC)=1.014+0.0879t-0.0000129 t 2 , where (Hsub(t) - Hsub(0degC)) is enthalpy, cal/g; t-temperature, deg C. Mean-square dispersion is +-0.6%. Temperature dependence of alloy specific heat in the temperature range under study was determined by differentiation of the equation obtained for enthalpy: Csub(p)=0.0879-0.000026t, where Csub(p)-specific heat, cal/gx deg. It is supposed that temperature increase makes it possible to decrease slightly specific heat

High Enthalpy Effects on Two Boundary Layer Disturbances in Supersonic and Hypersonic Flow

Science.gov (United States)

Wagnild, Ross Martin

The fluid flow phenomenon of boundary layer transition is a complicated and difficult process to model and predict. The importance of the state of the boundary layer with regard to vehicle design cannot be understated. The high enthalpy environment in which high speed vehicles operate in further complicates the transition process by adding several more degrees of freedom. In this environment, the internal properties of the gas can stabilize or destabilize the boundary layer as well as modify the disturbances that cause transition. In the current work, the interaction of two types of disturbances with the high enthalpy flow environment are analyzed. The first is known as a second mode disturbance, which is acoustic in nature. The second type is known as a transient growth disturbance and is associated with flows behind roughness elements. Theoretical analyses, linear stability analyses, and computation fluid dynamics (CFD) are used to determine the ways in which these disturbances interact with the high enthalpy environment as well as the consequences of these interactions. First, acoustic wave are directly studied in order to gain a basic understanding of the response of second mode disturbances in the high enthalpy boundary layer. Next, this understanding is used in interpreting the results of several computations attempting to simulate the flow through a high enthalpy flow facility as well as experiments attempting to take advantage of the acoustic interaction with the high enthalpy environment. Because of the difficulty in modeling these experiments, direct simulations of acoustic waves in a hypersonic flow of a gas with molecular vibration are performed. Lastly, compressible transient growth disturbances are simulated using a linear optimal disturbance solver as well as a CFD solver. The effect of an internal molecular process on this type of disturbance is tested through the use of a vibrational mode. It is the goal of the current work to reinforce the

Enthalpies of formation of selected Co{sub 2}YZ Heusler compounds

Energy Technology Data Exchange (ETDEWEB)

Yin, Ming, E-mail: myin1@hawk.iit.edu; Chen, Song; Nash, Philip

2013-11-15

Highlights: •Enthalpies of formation of selected Co{sub 2}YZ were measured by drop calorimeters. •Enthalpy decreases as the Z element approaches the top right corner of the periodic table. •For the Y element, enthalpy increases on increasing the number of d electrons. •Result of L2{sub 1} structured compounds agrees with first principles data. •Lattice parameters and related phase relationships were consistent with literature data. -- Abstract: Standard enthalpies of formation at 298 K of selected ternary Co{sub 2}-based Heusler compounds Co{sub 2}YZ (Y = Fe, Hf, Mn, Ti, V, Zr; Z = Al, Ga, In, Si, Ge, Sn) were measured by high temperature direct synthesis calorimetry. The measured enthalpies of formation (in kJ/mole of atoms) of the L2{sub 1} compounds are: Co{sub 2}FeGa (−25.8 ± 2.6); Co{sub 2}FeSi (−38.4 ± 2.2); Co{sub 2}FeGe (−11.6 ± 2.1); Co{sub 2}MnGa (−30.1 ± 2.3); Co{sub 2}MnSi (−42.4 ± 1.2); Co{sub 2}MnGe (−31.6 ± 3.0); Co{sub 2}MnSn (−15.6 ± 2.8); Co{sub 2}TiAl (−55.0 ± 3.7); Co{sub 2}TiGa (−54.2 ± 2.6); Co{sub 2}TiSi (−61.4 ± 1.7); Co{sub 2}TiGe (−59.3 ± 3.8); Co{sub 2}TiSn (−38.4 ± 2.0); Co{sub 2}VGa (−28.4 ± 1.1) and for the B2 compounds: Co{sub 2}FeAl (−22.5 ± 2.5), Co{sub 2}MnAl (−27.6 ± 2.7). Values are compared with those from first principles calculation when available and the extended semi-empirical model of Miedema. Trends in enthalpy of formation with element atomic number are discussed. Lattice parameters of the compounds with L2{sub 1} structure are determined by X-ray diffraction analysis.

Skin-friction measurements in high-enthalpy hypersonic boundary layers

Science.gov (United States)

Goyne, C. P.; Stalker, R. J.; Paull, A.

2003-06-01

Skin-friction measurements are reported for high-enthalpy and high-Mach-number laminar, transitional and turbulent boundary layers. The measurements were performed in a free-piston shock tunnel with air-flow Mach number, stagnation enthalpy and Reynolds numbers in the ranges of 4.4 6.7, 3 13 MJ kg(-1) and 0.16× 10(6) 21× 10(6) , respectively. Wall temperatures were near 300 K and this resulted in ratios of wall enthalpy to flow-stagnation enthalpy in the range of 0.1 0.02. The experiments were performed using rectangular ducts. The measurements were accomplished using a new skin-friction gauge that was developed for impulse facility testing. The gauge was an acceleration compensated piezoelectric transducer and had a lowest natural frequency near 40 kHz. Turbulent skin-friction levels were measured to within a typical uncertainty of ± 7%. The systematic uncertainty in measured skin-friction coefficient was high for the tested laminar conditions; however, to within experimental uncertainty, the skin-friction and heat-transfer measurements were in agreement with the laminar theory of van Driest (1952). For predicting turbulent skin-friction coefficient, it was established that, for the range of Mach numbers and Reynolds numbers of the experiments, with cold walls and boundary layers approaching the turbulent equilibrium state, the Spalding & Chi (1964) method was the most suitable of the theories tested. It was also established that if the heat transfer rate to the wall is to be predicted, then the Spalding & Chi (1964) method should be used in conjunction with a Reynolds analogy factor near unity. If more accurate results are required, then an experimentally observed relationship between the Reynolds analogy factor and the skin-friction coefficient may be applied.

Agrobiodiversity of cactus pear (Opuntia, Cactaceae in the Meridional Highlands Plateau of Mexico

Directory of Open Access Journals (Sweden)

Juan Antonio Reyes-Agüero

2011-08-01

Full Text Available Mexico is characterized by a remarkable richness of Opuntia, mostly at the Meridional Highlands Plateau; it is also here where the greatest richness of Opuntia variants occurs. Most of these variants have been maintained in homegardens; however, the gathering process which originated these homegardens has been disrupted over the past decades, as a result of social change and the destruction of large wild nopaleras. If the variants still surviving in homegardens are lost, these will be hard to recover, that is, the millenary cultural heritage from the human groups that populated the Mexican Meridional Highland Plateau will be lost forever. This situation motivated the preparation of a catalogue that records the diversity of wild and cultivated Opuntia variants living in the meridional Highlands Plateau. To this end, 379 samples were obtained in 29 localities, between 1998 and 2003. The information was processed through Twinspan. All specimens were identified and preserved in herbaria. Botanical keys and descriptions were elaborated. The catalogue includes information on 126 variants comprising 18 species. There were species with only one variant (Opuntia atropes, O. cochinera, O. jaliscana, O. leucotricha, O. rzedowskii and O. velutina, two (O. durangensis, O. lindheimeri, O. phaeacantha and O. robusta, five (O. joconostle and O. lasiacantha, seven (O. chavena, 12 (O. hyptiacantha and O. streptacantha, 15 (O. ficus-indica, 22 (O. albicarpa, and up to 34 (O. megacantha. Additionally, 267 common cactus pear names were related to those variants.

Measuring the enthalpies of interaction between glycine, L-cysteine, glycylglycine, and sodium dodecyl sulfate in aqueous solutions

Science.gov (United States)

Badelin, V. G.; Mezhevoi, I. N.; Tyunina, E. Yu.

2017-03-01

Calorimetric measurements of enthalpies of solution Δsol H m for glycine, L-cysteine, and glycylglycine in aqueous solutions of sodium dodecyl sulfate (SDS) with concentrations of up to 0.05 mol kg-1 are made. Standard enthalpy of solution Δsol H 0 and enthalpy of transfer Δtr H 0 of the dipeptide from water into mixed solvent are calculated. The calculated enthalpy coefficients of paired interactions of amino acids and dipeptide with SDS prove to be positive. Hydrophobic interactions between the biomolecules and SDS are found to have a major impact on the enthalpies of interaction in the three-component systems under study, within the indicated range of concentrations.

Enthalpies of Formation of Transition Metal Diborides: A First Principles Study

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Catherine Colinet

2015-11-01

Full Text Available The enthalpies of formation of transition metals diborides in various structures have been obtained from density functional theory (DFT calculations in order to determine the ground state at T = 0 K and p = 0. The evolution of the enthalpies of formation along the 3D, 4D, and 5D series has been correlated to the considered crystal structures. In the whole, the calculated values of the enthalpies of formation of the diborides in their ground state are in good agreement with the experimental ones when available. The calculated values of the lattice parameters at T = 0 K of the ground state agree well with the experimental values. The total and partial electronic densities of states have been computed. Special features of the transition metal electronic partial density of states have been evidenced and correlated to the local environment of the atoms.

Meridional-Flow Measurements from 15 Years of GONG Spherical-Harmonic Time Series

International Nuclear Information System (INIS)

Kholikov, S; Hernandez, I Gonzalez; Hill, F; Leibacher, J

2011-01-01

We present results of meridional-flow measurements for 1995-2009, using travel-time differences from velocity images reconstructed using GONG spherical harmonic (SH) coefficients after applying phase-velocity and low-m filters. This filtering technique increases the signal-to-noise ratio and thus extends travel-time measurements to relatively high latitudes and deep into the convection zone. Preliminary analyses shows a strong one-year periodicity presumably due to solar pole misalignment and B 0 -angle artifacts, which makes it difficult to see underlying temporal variations. Removing a simple one-year-period sine wave fit reveals long-term temporal variations of the flow on top of this yearly periodicity. High-latitude measurements are affected more stronger by foreshortening and B 0 -angle artifacts. We analyze different B 0 -angle intervals separately, so in each hemisphere better high-latitude visibility comes six months apart. This approach suggests why at high latitudes travel-time measurements of meridional flow shows a tendency to change sign instead of continuing towards the poles.

MERIDIONAL COMA OF NEGATIVE ANASTIGMATIC LENSES AT THE FINAL POSITION OF AN OBJECT

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V. A. Bezrukov

2015-03-01

Full Text Available The paper deals with the findings of negative anastigmatic lenses at the final position of an object. The negative lenses are considered with refraction index n=1.7849 (type of glass is TF12 and thickness d=5 mm, working with paraxial magnifications β=1,1x;1,3x;1,5x with account of the distances from the first lens surface to the object S1=9; 25 mm and the size of the object y=15 mm. Dependences of negative lens forms from the position of anastigmatic pupils and from radii of meridional caustics which are convenient for understanding aberrational properties of anastigmatic lenses. The findings give the possibility to synthesize wide-angle lenses with the corrected aberrations of image curvature and meridional coma without geometrical vignetting of wide sloping bunches.

Enthalpies of solution of ampicillin, amoxycillin and their binary mixtures at 310.15 K.

Science.gov (United States)

Jain, D V; Kashid, N; Kapoor, S; Chadha, R

2000-05-15

Enthalpies of solutions of ampicillin, amoxycillin and their binary mixtures have been determined at pH 2, 5, and 7 using C-80 calorimeter. The systems showed endothermic behaviour; molar enthalpies of solutions of ampicillin were determined to be 13.32, 15.89 and 23.21 kJ mol(-1) and amoxycillin were 16.32, 18.45 and 26. 25 kJ mol(-1) at pH 2, 5, and 7, respectively. The excess molar enthalpies of solution have also been calculated to find any interaction between these two drugs.

Thermodynamics of Uranyl Minerals: Enthalpies of Formation of Uranyl Oxide Hydrates

International Nuclear Information System (INIS)

Kubatko, K.; Helean, K.; Navrotsky, A.; Burns, P.C.

2005-01-01

The enthalpies of formation of seven uranyl oxide hydrate phases and one uranate have been determined using high-temperature oxide melt solution calorimetry: [(UO 2 ) 4 O(OH) 6 ](H 2 O) 5 , metaschoepite; β-UO 2 (OH) 2 ; CaUO 4 ; Ca(UO 2 ) 6 O 4 (OH) 6 (H 2 O) 8 , becquerelite; Ca(UO 2 ) 4 O 3 (OH) 4 (H 2 O) 2 ; Na(UO 2 )O(OH), clarkeite; Na 2 (UO 2 ) 6 O 4 (OH) 6 (H 2 O) 7 , the sodium analogue of compreignacite and Pb 3 (UO 2 ) 8 O 8 (OH) 6 (H 2 O) 2 , curite. The enthalpy of formation from the binary oxides, ΔH f-ox , at 298 K was calculated for each compound from the respective drop solution enthalpy, ΔH ds . The standard enthalpies of formation from the elements, ΔH f o , at 298 K are -1791.0 ± 3.2, -1536.2 ± 2.8, -2002.0 ± 3.2, -11389.2 ± 13.5, -6653.1 ± 13.8, -1724.7 ± 5.1, -10936.4 ± 14.5 and -13163.2 ± 34.4 kJ mol -1 , respectively. These values are useful in exploring the stability of uranyl oxide hydrates in auxiliary chemical systems, such as those expected in U-contaminated environments

Inter-comparison of stratospheric mean-meridional circulation and eddy mixing among six reanalysis data sets

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K. Miyazaki

2016-05-01

Full Text Available The stratospheric mean-meridional circulation (MMC and eddy mixing are compared among six meteorological reanalysis data sets: NCEP-NCAR, NCEP-CFSR, ERA-40, ERA-Interim, JRA-25, and JRA-55 for the period 1979–2012. The reanalysis data sets produced using advanced systems (i.e., NCEP-CFSR, ERA-Interim, and JRA-55 generally reveal a weaker MMC in the Northern Hemisphere (NH compared with those produced using older systems (i.e., NCEP/NCAR, ERA-40, and JRA-25. The mean mixing strength differs largely among the data products. In the NH lower stratosphere, the contribution of planetary-scale mixing is larger in the new data sets than in the old data sets, whereas that of small-scale mixing is weaker in the new data sets. Conventional data assimilation techniques introduce analysis increments without maintaining physical balance, which may have caused an overly strong MMC and spurious small-scale eddies in the old data sets. At the NH mid-latitudes, only ERA-Interim reveals a weakening MMC trend in the deep branch of the Brewer–Dobson circulation (BDC. The relative importance of the eddy mixing compared with the mean-meridional transport in the subtropical lower stratosphere shows increasing trends in ERA-Interim and JRA-55; this together with the weakened MMC in the deep branch may imply an increasing age-of-air (AoA in the NH middle stratosphere in ERA-Interim. Overall, discrepancies between the different variables and trends therein as derived from the different reanalyses are still relatively large, suggesting that more investments in these products are needed in order to obtain a consolidated picture of observed changes in the BDC and the mechanisms that drive them.

Enthalpies of solution of methylcalix[4]resorcinarene in non-aqueous solvents as a function of concentration and temperature

International Nuclear Information System (INIS)

Riveros, Diana C.; Martínez, Fleming; Vargas, Edgar F.

2012-01-01

Highlights: ► The solution enthalpies of methylcalix[4]resorcinarene in alcohols have been measured. ► The solution enthalpies of methylcalix[4]resorcinarene in alcohols are endothermic. ► Enthalpies of transference are interpreted in terms of proton donor capacity of alcohols. - Abstract: Enthalpies of solution of 2,8,14,20-tetramethyl-4,6,10,12,16,18,22,24-octahydroxyresorci[4]arene in methanol, ethanol and propanol as a function of molal concentration at (288.15, 298.15 and 308.15) K were measured calorimetrically. The enthalpies of solvation were estimated. Using propanol as the referent solvent, transfer properties to other alcohols were also calculated. In addition, temperature dependence of the enthalpy of solution at infinite dilution was also obtained. The data were interpreted in terms of solute–solvent interactions.

Enthalpy recovery in glassy materials: Heterogeneous versus homogenous models

Science.gov (United States)

Mazinani, Shobeir K. S.; Richert, Ranko

2012-05-01

Models of enthalpy relaxations of glasses are the basis for understanding physical aging, scanning calorimetry, and other phenomena that involve non-equilibrium and non-linear dynamics. We compare models in terms of the nature of the relaxation dynamics, heterogeneous versus homogeneous, with focus on the Kovacs-Aklonis-Hutchinson-Ramos (KAHR) and the Tool-Narayanaswamy-Moynihan (TNM) approaches. Of particular interest is identifying the situations for which experimental data are capable of discriminating the heterogeneous from the homogeneous scenario. The ad hoc assumption of a single fictive temperature, Tf, is common to many models, including KAHR and TNM. It is shown that only for such single-Tf models, enthalpy relaxation of a glass is a two-point correlation function in reduced time, implying that experimental results are not decisive regarding the underlying nature of the dynamics of enthalpy relaxation. We also find that the restriction of the common TNM model to a Kohlrausch-Williams-Watts type relaxation pattern limits the applicability of this approach, as the particular choice regarding the distribution of relaxation times is a more critical factor compared with isothermal relaxation experiments. As a result, significant improvements in fitting calorimetry data can be achieved with subtle adjustments in the underlying relaxation time distribution.

Excess Enthalpies of Mixing of Binary Mixtures of NaCl, KCl, NaBr ...

African Journals Online (AJOL)

NJD

2004-07-01

Jul 1, 2004 ... NaBr and KBr in Mixed Ternary Solvent Systems at 298.15 K. Bal Raj Deshwala* ... industrial waters and their thermodynamic properties are of practical interest for .... The enthalpy of mixing (∆Hm) is the difference between the excess enthalpy of the ..... tural (categorized by softness, open- ness, and ...

Interface Enthalpy-Entropy Competition in Nanoscale Metal Hydrides

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Nicola Patelli

2018-01-01

Full Text Available We analyzed the effect of the interfacial free energy on the thermodynamics of hydrogen sorption in nano-scaled materials. When the enthalpy and entropy terms are the same for all interfaces, as in an isotropic bi-phasic system, one obtains a compensation temperature, which does not depend on the system size nor on the relative phase abundance. The situation is different and more complex in a system with three or more phases, where the interfaces have different enthalpy and entropy. We also consider the possible effect of elastic strains on the stability of the hydride phase and on hysteresis. We compare a simple model with experimental data obtained on two different systems: (1 bi-phasic nanocomposites where ultrafine TiH2 crystallite are dispersed within a Mg nanoparticle and (2 Mg nanodots encapsulated by different phases.

Solution enthalpies of alkali metal halides in water and heavy water mixtures with dimethyl sulfoxide

International Nuclear Information System (INIS)

Egorov, G.I.

1994-01-01

Solution enthalpies of CsF, LiCl, NaI, CsI and some other halides of alkali metals and tetrabutylammonium have been measured by the method of calorimetry. Standard solution enthalpies of all alkali metals (except rubidium) halides in water and heavy water mixtures with dimethylsulfoxide at 298.15 K have been calculated. Isotopic effects in solvation enthalpy of the electrolytes mentioned in aqueous solutions of dimethylsulfoxide have been discussed. 29 refs., 2 figs., 4 tabs

Wind Diffusivity Current, QuikSCAT SeaWinds, 0.25 degrees, Global, Science Quality, Meridional

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — NOAA CoastWatch distributes science quality Ekman current (in zonal, meridional, and modulus sets) and Ekman upwelling data. This data begins with wind velocity...

Molecular simulation of excess isotherm and excess enthalpy change in gas-phase adsorption.

Science.gov (United States)

Do, D D; Do, H D; Nicholson, D

2009-01-29

We present a new approach to calculating excess isotherm and differential enthalpy of adsorption on surfaces or in confined spaces by the Monte Carlo molecular simulation method. The approach is very general and, most importantly, is unambiguous in its application to any configuration of solid structure (crystalline, graphite layer or disordered porous glass), to any type of fluid (simple or complex molecule), and to any operating conditions (subcritical or supercritical). The behavior of the adsorbed phase is studied using the partial molar energy of the simulation box. However, to characterize adsorption for comparison with experimental data, the isotherm is best described by the excess amount, and the enthalpy of adsorption is defined as the change in the total enthalpy of the simulation box with the change in the excess amount, keeping the total number (gas + adsorbed phases) constant. The excess quantities (capacity and energy) require a choice of a reference gaseous phase, which is defined as the adsorptive gas phase occupying the accessible volume and having a density equal to the bulk gas density. The accessible volume is defined as the mean volume space accessible to the center of mass of the adsorbate under consideration. With this choice, the excess isotherm passes through a maximum but always remains positive. This is in stark contrast to the literature where helium void volume is used (which is always greater than the accessible volume) and the resulting excess can be negative. Our definition of enthalpy change is equivalent to the difference between the partial molar enthalpy of the gas phase and the partial molar enthalpy of the adsorbed phase. There is no need to assume ideal gas or negligible molar volume of the adsorbed phase as is traditionally done in the literature. We illustrate this new approach with adsorption of argon, nitrogen, and carbon dioxide under subcritical and supercritical conditions.

On the Enthalpy and Entropy of Point Defect Formation in Crystals

Science.gov (United States)

Kobelev, N. P.; Khonik, V. A.

2018-03-01

A standard way to determine the formation enthalpy H and entropy S of point defect formation in crystals consists in the application of the Arrhenius equation for the defect concentration. In this work, we show that a formal use of this method actually gives the effective (apparent) values of these quantities, which appear to be significantly overestimated. The underlying physical reason lies in temperature-dependent formation enthalpy of the defects, which is controlled by temperature dependence of the elastic moduli. We present an evaluation of the "true" H- and S-values for aluminum, which are derived on the basis of experimental data by taking into account temperature dependence of the formation enthalpy related to temperature dependence of the elastic moduli. The knowledge of the "true" activation parameters is needed for a correct calculation of the defect concentration constituting thus an issue of major importance for different fundamental and application issues of condensed matter physics and chemistry.

Study of Shallow Low-Enthalpy Geothermal Resources Using Integrated Geophysical Methods

Science.gov (United States)

De Giorgi, Lara; Leucci, Giovanni

2015-02-01

The paper is focused on low enthalpy geothermal exploration performed in south Italy and provides an integrated presentation of geological, hydrogeological, and geophysical surveys carried out in the area of municipality of Lecce. Geological and hydrogeological models were performed using the stratigraphical data from 51 wells. A ground-water flow (direction and velocity) model was obtained. Using the same wells data, the ground-water annual temperature was modeled. Furthermore, the ground surface temperature records from ten meteorological stations were studied. This allowed us to obtain a model related to the variations of the temperature at different depths in the subsoil. Integrated geophysical surveys were carried out in order to explore the low-enthalpy geothermal fluids and to evaluate the results of the model. Electrical resistivity tomography (ERT) and self-potential (SP) methods were used. The results obtained upon integrating the geophysical data with the models show a low-enthalpy geothermal resource constituted by a shallow ground-water system.

Enthalpy of Formation of N ₂ H ₄ (Hydrazine) Revisited

Energy Technology Data Exchange (ETDEWEB)

Feller, David [Department; Bross, David H. [Chemical; Ruscic, Branko [Chemical; Computation

2017-08-02

In order to address the accuracy of the long-standing experimental enthalpy of formation of gas-phase hydrazine, fully confirmed in earlier versions of Active Thermochemical Tables (ATcT), the provenance of that value is re-examined in light of new high-end calculations of the Feller-Peterson-Dixon (FPD) variety. An overly optimistic determination of the vaporization enthalpy of hydrazine, which created an unrealistically strong connection between the gas phase thermochemistry and the calorimetric results defining the thermochemistry of liquid hydrazine was identified as the probable culprit. The new enthalpy of formation of gas-phase hydrazine, based on balancing all available knowledge, was determined to be 111.57 ± 0.47 kJ/mol at 0 K (97.41 kJ/mol at 298.15 K). Close agreement was found between the ATcT (even excluding the latest theoretical result) and FPD enthalpies.

Ionic liquids. Combination of combustion calorimetry with high-level quantum chemical calculations for deriving vaporization enthalpies.

Science.gov (United States)

Emel'yanenko, Vladimir N; Verevkin, Sergey P; Heintz, Andreas; Schick, Christoph

2008-07-10

In this work, the molar enthalpies of formation of the ionic liquids [C2MIM][NO3] and [C4MIM][NO3] were measured by means of combustion calorimetry. The molar enthalpy of fusion of [C2MIM][NO3] was measured using differential scanning calorimetry. Ab initio calculations of the enthalpy of formation in the gaseous phase have been performed for the ionic species using the G3MP2 theory. We have used a combination of traditional combustion calorimetry with modern high-level ab initio calculations in order to obtain the molar enthalpies of vaporization of a series of the ionic liquids under study.

Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16

International Nuclear Information System (INIS)

Roux, Maria Victoria; Temprado, Manuel; Chickos, James S.

2005-01-01

The fusion enthalpies of the series butanedioic acid through to tetradecanedioic acid and hexadecanedioic acids have been measured by DSC. In addition to fusion, a number of solid-solid phase transitions have also been detected in these diacids. The vaporization enthalpies of these compounds have been measured by correlation gas chromatography using the vaporization enthalpies of butanedioic, hexanedioic and decanedioic acids as standards. The vaporization enthalpies of the diacids from C 4 to C 10 correlated linearly with the number of methylene groups present. Above C 10 , the vaporization enthalpies of C 11 -C 14 and C 16 begin to deviate from linearity. The vaporization enthalpies for these compounds are dependent on the temperature of the GC column used. Similar departure from linearity has also been observed previously in the sublimation enthalpies for these compounds. The results are discussed in terms of formation of a cyclic intramolecular hydrogen bonded network in the gas phase similar to the bimolecular association observed in smaller mono-carboxylic acids at ambient temperatures

Enthalpies of mixing in binary liquid alloys of lutetium with 3d metals

Energy Technology Data Exchange (ETDEWEB)

Ivanov, Michael; Berezutski, Vadim [National Academy of Sciences, Kyiv (Ukraine). I. Frantsevich Institute for Problems of Materials Science; Usenko, Natalia; Kotova, Natalia [Taras Shevchenko National Univ., Kyiv (Ukraine). Dept. of Chemistry

2017-01-15

The enthalpies of mixing in binary liquid alloys of lutetium with chromium, cobalt, nickel and copper were determined at 1 773 - 1 947 K by isoperibolic calorimetry. The enthalpies of mixing in the Lu-Cr melts (measured up to 40 at.% Cr) demonstrate endothermic effects (ΔH = 6.88 ± 0.66 kJ . mol{sup -1} at x{sub Lu} = 0.60), whereas significant exothermic enthalpies of mixing have been established within a wide composition region for the Co-Lu, Ni-Lu and Cu-Lu liquid alloys. Minimum values of the integral enthalpy of mixing are as follows: ΔH{sub min} = -23.57 ± 1.41 kJ . mol{sup -1} at x{sub Lu} = 0.38 for the Co-Lu system; ΔH{sub min} = -48.65 ± 2.83 kJ . mol{sup -1} at x{sub Lu} = 0.40 for the Ni-Lu system; ΔH{sub min} = -24.63 ± 1.52 kJ . mol{sup -1} at x{sub Lu} = 0.37 for the Cu-Lu system.

Enthalpies of solution of methylcalix[4]resorcinarene in non-aqueous solvents as a function of concentration and temperature

Energy Technology Data Exchange (ETDEWEB)

Riveros, Diana C. [Laboratorio de Termodinamica de Soluciones, Departamento de Quimica, Facultad de Ciencias, Universidad de los Andes, Bogota D.C. (Colombia); Martinez, Fleming [Grupo de Investigaciones Farmaceutico-Fisicoquimicas, Departamento de Farmacia, Facultad de Ciencias, Universidad Nacional de Colombia, Bogota D.C. (Colombia); Vargas, Edgar F., E-mail: edvargas@uniandes.edu.co [Laboratorio de Termodinamica de Soluciones, Departamento de Quimica, Facultad de Ciencias, Universidad de los Andes, Bogota D.C. (Colombia)

2012-11-20

Highlights: Black-Right-Pointing-Pointer The solution enthalpies of methylcalix[4]resorcinarene in alcohols have been measured. Black-Right-Pointing-Pointer The solution enthalpies of methylcalix[4]resorcinarene in alcohols are endothermic. Black-Right-Pointing-Pointer Enthalpies of transference are interpreted in terms of proton donor capacity of alcohols. - Abstract: Enthalpies of solution of 2,8,14,20-tetramethyl-4,6,10,12,16,18,22,24-octahydroxyresorci[4]arene in methanol, ethanol and propanol as a function of molal concentration at (288.15, 298.15 and 308.15) K were measured calorimetrically. The enthalpies of solvation were estimated. Using propanol as the referent solvent, transfer properties to other alcohols were also calculated. In addition, temperature dependence of the enthalpy of solution at infinite dilution was also obtained. The data were interpreted in terms of solute-solvent interactions.

Enthalpy of mixing of Sn-Cd system using high temperature Calvet microcalorimeter

International Nuclear Information System (INIS)

Jayanthi, K.; Iyer, V.S.; Venugopal, V.

1993-01-01

The integral enthalpy of mixing of Sn + Cd alloys were determined at 690 K for mole fraction of cadmium (X Cd ) from 0.06 to 0.958. In the present study, the use of small quantities of metals and the determination of enthalpy of mixing of an endothermic reaction without stirring the bath solution. This was possible due to the high sensitivity of the Calvet calorimeter. (author). 3 refs., 3 tabs

Borate-polyol complexes in aqueous solution: determination of enthalpies by thermometric titrimetry.

Science.gov (United States)

Aruga, R

1985-06-01

Enthalpies for the reaction of borate with 1,2-ethanediol, 1,2-propanediol, 1,2,3-propanetriol and d-mannitol have been determined by thermometric titrimetry. From these enthalpies and equilibrium constants taken from the literature, corresponding entropies have been calculated. The data refer to aqueous solutions at 25 degrees and I = 1.0M (NaNO(3)). The results indicate reasons for the differences in the stabilities of the complexes.

Improvements in launchings and recipients of PIG in Malha de Gasodutos Nordeste Meridional; Melhorias nos lancamentos e recebedores de PIG da Malha de Gasodutos Nordeste Meridional

Energy Technology Data Exchange (ETDEWEB)

Maciel, Jairo A.C.; Lemos, Francisco A.C.; Lima, Artur W.R. de S. [PETROBRAS Transporte S.A. (TRANSPETRO), Rio de Janeiro, RJ (Brazil)

2012-07-01

This paper describes the study that resulted in the preparation of a project for improvement of launchers and receivers of PIG in facilities maintained and operated by PETROBRAS S.A. (TRANSPETRO) in the Malha de Gasodutos Nordeste Meridional (Malha NEM). The improvements are part of the component in cleaner production system and reduce the risks of accidents and the costs of hazardous waste management.

Surface changes in the North Atlantic meridional overturning circulation during the last millennium

DEFF Research Database (Denmark)

Wanamaker, A.D.; Butler, P.G.; Scourse, J.D.

2012-01-01

of decadal-to-centennial scale changes in Atlantic meridional overturning circulation strength in regulating the climate of the last millennium. Here we use the time-constrained high-resolution local radiocarbon reservoir age offset derived from an absolutely dated annually resolved shell chronology spanning...

Knudsen cell vaporization of rare earth nitrides: enthalpy of vaporization of HoN098

International Nuclear Information System (INIS)

Brown, R.C.; Clark, N.J.

1975-01-01

The enthalpy of vaporization of HoN 0 . 98 was measured by the weight-loss Knudsen cell technique using Motzfeldt-Whitman extrapolations to zero orifice area. A third-law enthalpy of vaporization of HoN 0 . 98 of 155.9 +- 5 kcal mole -1 was obtained compared to a second-law value of 162.0 +- 5 kcal mole -1 . Similar measurements on the nitrides of samarium, erbium, and ytterbium gave third-law enthalpies of vaporization of 126.8 +-- 5 kcal mole -1 ; 159.6 +- 5 kcal mole -1 , and 121.0 +- 5 kcal mole -1 , respectively. 7 tables

Prediction of failure enthalpy and reliability of irradiated fuel rod under reactivity-initiated accidents by means of statistical approach

International Nuclear Information System (INIS)

Nam, Cheol; Choi, Byeong Kwon; Jeong, Yong Hwan; Jung, Youn Ho

2001-01-01

During the last decade, the failure behavior of high-burnup fuel rods under RIA has been an extensive concern since observations of fuel rod failures at low enthalpy. Of great importance is placed on failure prediction of fuel rod in the point of licensing criteria and safety in extending burnup achievement. To address the issue, a statistics-based methodology is introduced to predict failure probability of irradiated fuel rods. Based on RIA simulation results in literature, a failure enthalpy correlation for irradiated fuel rod is constructed as a function of oxide thickness, fuel burnup, and pulse width. From the failure enthalpy correlation, a single damage parameter, equivalent enthalpy, is defined to reflect the effects of the three primary factors as well as peak fuel enthalpy. Moreover, the failure distribution function with equivalent enthalpy is derived, applying a two-parameter Weibull statistical model. Using these equations, the sensitivity analysis is carried out to estimate the effects of burnup, corrosion, peak fuel enthalpy, pulse width and cladding materials used

Meridional transport and deposition of atmospheric 10Be

Directory of Open Access Journals (Sweden)

J. Feichter

2009-01-01

Full Text Available 10Be concentrations measured in ice cores exhibit larger temporal variability than expected based on theoretical production calculations. To investigate whether this is due to atmospheric transport a general circulation model study is performed with the 10Be production divided into stratospheric, tropospheric tropical, tropospheric subtropical and tropospheric polar sources. A control run with present day 10Be production rate is compared with a run during a geomagnetic minimum. The present 10Be production rate is 4–5 times higher at high latitudes than in the tropics whereas during a period of no geomagnetic dipole field it is constant at all latitudes. The 10Be deposition fluxes, however, show a very similar latitudinal distribution in both the present day and the geomagnetic minimum run indicating that 10Be is well mixed in the atmosphere before its deposition. This is also confirmed by the fact that the contribution of 10Be produced in the stratosphere is dominant (55%–70% and relatively constant at all latitudes. The contribution of stratospheric 10Be is approximately 70% in Greenland and 60% in Antarctica reflecting the weaker stratosphere-troposphere air exchange in the Southern Hemisphere.

Effects of partitioned enthalpy of mixing on glass-forming ability

Energy Technology Data Exchange (ETDEWEB)

Song, Wen-Xiong; Zhao, Shi-Jin, E-mail: shijin.zhao@shu.edu.cn [Institute of Materials Science, Shanghai University, Shanghai 200072 (China)

2015-04-14

We explore the inherent reason at atomic level for the glass-forming ability of alloys by molecular simulation, in which the effect of partitioned enthalpy of mixing is studied. Based on Morse potential, we divide the enthalpy of mixing into three parts: the chemical part (Δ E{sub nn}), strain part (Δ E{sub strain}), and non-bond part (Δ E{sub nnn}). We find that a large negative Δ E{sub nn} value represents strong AB chemical bonding in AB alloy and is the driving force to form a local ordered structure, meanwhile the transformed local ordered structure needs to satisfy the condition (Δ E{sub nn}/2 + Δ E{sub strain}) < 0 to be stabilized. Understanding the chemical and strain parts of enthalpy of mixing is helpful to design a new metallic glass with a good glass forming ability. Moreover, two types of metallic glasses (i.e., “strain dominant” and “chemical dominant”) are classified according to the relative importance between chemical effect and strain effect, which enriches our knowledge of the forming mechanism of metallic glass. Finally, a soft sphere model is established, different from the common hard sphere model.

Standard molar enthalpies of formation of copper(II) β-diketonates and monothio-β-diketonates

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Santos, Luis M.N.B.F.

2006-01-01

The standard (p o =0.1MPa) molar enthalpies of formation of the crystalline complexes of dibenzoylmethane (Hdbm), thenoyltrifluoroacetone (Httfa), monothiodibenzoylmethane (HdbmS), and monothiothenoyltrifluoroacetone (HttfaS) of copper(II) were determined, at T=298.15K, by high precision solution-reaction calorimetry. The standard molar enthalpies of sublimation of the copper(II) β-diketonate complexes were measured by high-temperature Calvet microcalorimetry. From the standard molar enthalpies of formation of the complexes in the gaseous state, the mean molar dissociation enthalpies copper(II)-ligand, m >(Cu-L), were derived. Δ f H m o (cr)Δ cr g H m o kJ.mol -1 kJ.mol -1 Bis(dibenzoylmethanate)copper(II), Cu(dbm) 2 -364.0+/-3.9230.7+/-8.2Bis(thenoyltrifluoroacetonate)copper(II), Cu(ttfa) 2 -1824.3+/-8.3167.9+/-7.4Bis(monothiodibenzoylmethanate)copper(II), Cu(dbmS) 2 35.6+/-7.7[241+/-15]Bis(monothiothenoyltrifluoroacetonate) copper(II), Cu(ttfaS) 2 -1405.7+/-8.3[177+/-15

Low-frequency variability of meridional transport in the divergence zone of the North Atlantic subtropical and subpolar gyres. The WOCE section A2; Niederfrequente Variabilitaet meridionaler Transporte in der Divergenzzone des nordatlantischen Subtropen- und Subpolarwirbels. Der WOCE-Schnitt A2

Energy Technology Data Exchange (ETDEWEB)

Lorbacher, K.

2000-07-01

The subinertial, climate relevant variability of the large-scale ocean circulation in the northern North Atlantic and its integral key parameters such as the advective transports of mass (volume), heat and freshwater are determined from observations alone using the hydrographic data from seven realisations of the so-called '48 N'-section between the English Channel and the Grand Banks of Newfoundland. The data consist of five available sets of the WOCE/A2-section during the Nineties for the years 1993, 1994, 1996, 1997, 1998 and of two previous transatlantic cruises in April of 1957 and 1982. The realisations of the WOCE/A2-section were carried out in the same season (May to July), except for the cruise in October 1994. The '48 N'-section follows the divergence zone of the mainly wind-driven subtropical gyre and the more complex, with respect to the forcing, subpolar gyre. In the central Westeuropean and Newfoundland Basins the section runs a few degrees south of the line of zero wind stress curl (curl{sub z}{tau}). In the West, the WOCE/A2-section turns northwest to cross the boundary current regime perpendicularly. Therefore, this quasi-zonal hydrographic section covers all large-scale circulation elements on the regional scale that contribute essentially to the ocean circulation on the global scale - the Meridional Overturning Circulation (MOC). The transport estimates are given as the sum of the three transport components of a quasi-steady, large-scale ocean circulation: The ageostrophic Ekman-, and the two geostrophic components, the depth-independent, barotropic or Sverdrup- and the baroclinic component. To maintain the mass balance over the plane of the section the compensation of each component is assumed. In the case of the baroclinic component the balance is achieved through a suitable choice for a surface of 'no-motion'. The absolute meridional velocity as a function of the zonal distance along the section and depth is

Determination of the vacancy formation enthalpy for high purity Ni

International Nuclear Information System (INIS)

Lynn, K.G.; Snead, C.L. Jr.; Hurst, J.J.; Farrell, K.

1979-01-01

Positron-annihilation lifetime measurements have been made on Ni over a temperature range of 4.2 to 1700 K. We find a small change in the lifetime from 4.2 to 900 K indicating a very small thermal-expansion effect. A small precursor effect is observed before the onset of significant vacancy trapping. A monovacancy formation enthalpy of 1.54/sub +0.2//sup -0.1/ eV is extracted without taking divacancies into consideration in the analysis. No detrapping from mono-vacancies is observed even at the higher temperatures. The vacancy formation enthalpy extracted from the lifetime data is compared to values obtained by Doppler-broadening and angular-correlation techniques

The vapor pressure and enthalpy of vaporization of M-xylene

International Nuclear Information System (INIS)

Rothenberg, S.J.; Seiler, F.A.; Bechtold, W.E.; Eidson, A.F.

1988-01-01

We measured the vapor pressure of m-xylene over the temperature range 273 to 293 deg K with a single-sided capacitance manometer. The enthalpy of vaporization was 42.2 ± 0.1 (SE) kj/ g·mol. Combining our own data with previously published data, we recommend using the values 42.0, 40.6, and 39.1 (± 0.1) (SE) kjg·mol for the enthalpy of vaporization of m-xylene at 300, 340, and 380 deg. K, respectively, and a value for the change in heat capacity on vaporization (ΔCpdeg.) of 35 ± 3 (SE) J/g·mol·K over the temperature range studied. (author)

Determination of the vacancy formation enthalpy for high purity Ni

International Nuclear Information System (INIS)

Lynn, K.G.; Snead, C.L. Jr.; Hurst, J.J.; Farrell, K.

1979-01-01

Positron-annihilation lifetime measurements have been made on Ni over a temperature range of 4.2 to 1700 K. We find a small change in the lifetime from 4.2 - 900 K indicating a very small thermal-expansion effect. A small precursor effect is observed before the onset of significant vacancy trapping. A monovacancy formation enthalpy of 1.54sub(+0.2)sup(-0.1) eV is extracted without taking divacancies into consideration in the analysis. No detrapping from mono-vacancies is observed even at the higher temperatures. The vacancy formation enthalpy extracted from the lifetime data is compared to values obtained by Doppler-broadening and angular-correlation techniques. (author)

Calorimetric measurement of the enthalpy of extraction of uranyl nitrate by tri-n-amyl phosphate

International Nuclear Information System (INIS)

Srinivasan, T.G.; Vasudeva Rao, P.R.; Venugopal, V.; Sood, D.D.

2002-01-01

Enthalpy of extraction of uranyl nitrate by tri n-amyl phosphate (TAP) and its solutions in n-dodecane has been directly measured by solution calorimetry for the first time. Measurements have been made at 303±1 K, in both forward as well as the reverse extraction modes. The enthalpies of the accompanying reactions such as the dilution of the uranyl nitrate in the aqueous phase, the hydration of TAP, the mixing of TAP and n-dodecane, the mixing of the metal-solvate (UO 2 (NO 3 ) 2 ·2TAP) and n-dodecane and mixing of the metal-solvate and TAP have also been independently measured and used to derive both the equilibrium state enthalpies and the standard state enthalpies for the extraction. Two distinct standard states have been used for the organic phase, viz., 1) all solutes infinitely diluted in diluent (ΔH*) and 2) all solutes infinitely diluted in the water saturated extractant (ΔH 0 ). The results have been compared with the enthalpies of extraction measured by employing the temperature dependence of the distribution ratio as well as calorimetry reported in the literature for extraction of uranyl nitrate by TAP and TBP. (author)

Low-enthalpy geothermal resources for electricity production: A demand-side management study for intelligent communities

DEFF Research Database (Denmark)

Xydis, George A.; Nanaki, Evanthia A.; Koroneos, Christopher J.

2013-01-01

The geological conditions in Greece contributed to the creation of important low-enthalpy geothermal energy resources (LEGERs). The resources are divided into low, medium and high enthalpy, or temperature, based on criteria that are generally based on the energy content of the fluid. LEGERs...... and northern part of the country, as well as in many of the Aegean Islands. The aim of this work is to review the options for managing wind load by using low-enthalpy geothermal energy for electricity (through heat pump utilisation) according to the local energy demand....... are those sources of the hot water whose temperature is between 25 and 100°C, which are used for heating residences and in the agricultural or industrial sector. The investigation for the exploitation of low-enthalpy geothermal fluids, which began around 1980, intensified in the last two decades. The low...

Building blocks for ionic liquids: Vapor pressures and vaporization enthalpies of 1-(n-alkyl)-imidazoles

International Nuclear Information System (INIS)

Emel'yanenko, Vladimir N.; Portnova, Svetlana V.; Verevkin, Sergey P.; Skrzypczak, Andrzej; Schubert, Thomas

2011-01-01

Highlights: → We measured vapor pressures of the 1-(n-alkyl)-imidazoles by transpiration method. → Variations on the alkyl chain length n were C 3 , C 5 -C 7 , and C 9 -C 10 . → Enthalpies of vaporization were derived from (p, T) dependencies. → Enthalpies of vaporization at 298.15 K were linear dependent on the chain length. - Abstract: Vapor pressures of the linear 1-(n-alkyl)-imidazoles with the alkyl chain C 3 , C 5 -C 7 , and C 9 -C 10 have been measured by the transpiration method. The molar enthalpies of vaporization Δ l g H m of these compounds were derived from the temperature dependencies of vapor pressures. A linear correlation of enthalpies of vaporization Δ l g H m (298.15 K) of the 1-(n-alkyl)-imidazoles with the chain length has been found.

Determinations of enthalpy and partial molar enthalpy in the alloys Bi–Cd–Ga–In–Zn, Bi–Cd–Ga–Zn and Au–Cu–Sn

International Nuclear Information System (INIS)

Arslan, Hüseyin

2015-01-01

In the present study, the relations of thermodynamic associated with Chou's general solution model (GSM), the models of Muggianu and Toop have been used in order to calculate the mixing enthalpy and partial molar mixing enthalpy of mixing of Bi–Cd–Ga–In–Zn, Bi–Cd–Ga–Zn with equimolar section at a temperature of 730 K and Au–Cu–Sn with the section x Au /x Cu = 1/1 on the entire molar fraction range as a function of alloy composition at a temperature of 900 K. Some negativities are reported in the selected alloys mentioned above, particularly at high temperatures for the human health as well as difficulties in experimental measurement and high costs. Moreover, aim of us is to close the current article gap seen in the literature. In order to close the current gap seen in the literature, the article on the thermodynamic properties of the Bi–Cd–Ga–In–Zn alloys are presented in this study. - Highlights: • Thermodynamic properties of alloys in the study in given conditions were treated. • The activity of Bi seen in all models shows greatly positive deviation from ideality. • The enthalpy of Sn shows small negative values in x Au /x Cu = 1 at 900 K. • The activity of Sn shows negative deviation from ideality in the same conditions

Modified enthalpy method for the simulation of melting and ...

Indian Academy of Sciences (India)

These include the implicit time stepping method of Voller & Cross. (1981), explicit enthalpy method of Tacke (1985), centroidal temperature correction method ... In variable viscosity method, viscosity is written as a function of liquid fraction.

PREDICTION OF THE MIXING ENTHALPIES OF BINARY LIQUID ALLOYS BY MOLECULAR INTERACTION VOLUME MODEL

Institute of Scientific and Technical Information of China (English)

H.W.Yang; D.P.Tao; Z.H.Zhou

2008-01-01

The mixing enthalpies of 23 binary liquid alloys are calculated by molecular interaction volume model (MIVM), which is a two-parameter model with the partial molar infinite dilute mixing enthalpies. The predicted values are in agreement with the experimental data and then indicate that the model is reliable and convenient.

Determination of the protonation enthalpy of humic acid by calorimetric titration technique

International Nuclear Information System (INIS)

Kimuro, Shingo; Kirishima, Akira; Sato, Nobuaki

2015-01-01

Graphical abstract: The thermodynamic quantities of protonation of humic acid were determined by the combination of potentiometric titration and calorimetric titration. It was observed that the protonation enthalpy and Gibbs free energy had been affected by pH of solution. As a result, the thermodynamics of the protonation reaction of humic acid is influenced by the polyelectrolyte effect and the heterogeneity. - Highlights: • We applied calorimetric titration technique to the protonation of humic acid. • The thermodynamic quantities of protonation of humic acid were determined. • The protonation enthalpy of humic acid is affected by the heterogeneity. • Gibbs free energy of the protonation is affected by the polyelectrolyte effect. - Abstract: In this study, the calorimetric titration technique was used to determine the protonation enthalpy of two reference humic acids and polyacrylic acid. First, we obtained the apparent protonation constant of two kinds of humic acid purchased from IHSS (International Humic Substances Society) and polyacrylic acid by potentiometric titration. Second, we obtained the protonation enthalpy of them by calorimetric titration. The protonation enthalpy of humic acid was affected by pH and the ionic strength of bulk solution. From the comparison of ΔH between humic acid and polyacrylic acid, it was concluded that the pH dependence of ΔH is attributed to the heterogeneity of humic acid. And ΔH of phenolic hydroxyl group in humic acid is strongly influenced by the electric double layer of humic acid’s surface. This is considered to be a reason of the ionic strength dependence of ΔH. On the other hand, Gibbs free energy of the protonation of humic acid is affected by the electrostatic attraction with the progress of dissociation of functional groups such as carboxyl group and phenolic hydroxyl group. Consequently, the thermodynamics of the protonation of humic acid is affected by the polyelectrolyte effect and the

Vapor pressures and vaporization enthalpy of codlemone by correlation gas chromatography

International Nuclear Information System (INIS)

Schultz, Shannon M.; Harris, Harold H.; Chickos, James S.

2015-01-01

Highlights: • The vaporization enthalpy of codlemone has been evaluated. • The vapor pressure of codlemone has been evaluated from T = (298.15 to T b ) K. • Vapor pressures for the 1-alkanols standards are available from T = (298.15 to 500) K. - Abstract: The vapor pressure and vaporization enthalpy of codlemone (trans, trans 8,10-dodecadien-1-ol), the female sex hormone of the codling moth is evaluated by correlation gas chromatography using a series of saturated primary alcohols as standards. A vaporization enthalpy of (92.3 ± 2.6) kJ · mol −1 and a vapor pressure, p/Pa = (0.083 ± 0.012) were evaluated at T = 298.15 K. An equation for the evaluation of vapor pressure from ambient temperature to boiling has been derived by correlation for codlemone. The calculated boiling temperature of T B = 389 K at p = 267 Pa is within the temperature range reported in the literature. A normal boiling temperature of T B = (549.1 ± 0.1) K is also estimated by extrapolation

The Emergence of the Pacific Meridional Overturning Circulation (PMOC) Paced by Obliquity Cycles during the Pliocene

Science.gov (United States)

Burls, N.; Fedorov, A. V.; Sigman, D. M.; Jaccard, S.; Tiedemann, R.; Haug, G. H.

2016-12-01

Deep water formation in northern high latitudes, as part of the Atlantic meridional overturning circulation (AMOC), is a critical element of modern ocean circulation and climate. For the warm Pliocene, roughly 4 to 2.8 million years ago, we present measurements and modeling evidence that deep water formation also occurred in the North Pacific, supporting another overturning cell - the Pacific meridional overturning circulation (PMOC). The evidence includes calcium carbonate accumulation in Pliocene subarctic Pacific sediments rivaling that of the modern North Atlantic, with pigment, total organic carbon, and redox-sensitive trace metal measurements supporting deep ocean ventilation as the driver of the enhanced calcium carbonate preservation. Together with high accumulation rates of biogenic opal, this implies a bi-directional communication between surface waters and the waters overlying the deep seafloor, and hence deep convection. A Pliocene-like climate simulation reproduces this deep water formation, with co-occurring Atlantic and Pacific overturning cells. The PMOC emerges as a result of the less intense hydrological cycle under Pliocene conditions characterized by a reduced meridional SST gradient. This weaker hydrological cycle leads to the erosion of the North Pacific halocline, allowing deep convection. Examining the data in more detail shows that, while the opal accumulation rate was continuously high, maxima in calcium carbonate accumulation rate were sharp and intermittent. Most likely, these maxima occurred during Northern Hemisphere summer insolation maxima when, as supported by the modeling results, mid-latitude SSTs in the Northern Hemisphere were at a maximum and the meridional SST gradient was particularly weak. These findings suggest that the climate system fluctuated between periods of strong and weak PMOC during the Pliocene. Such fluctuations appear to be a crucial part of Pliocene climate variability on orbital timescales.

Determination of formation enthalpies of incongruently fusing compounds

Energy Technology Data Exchange (ETDEWEB)

Kesler, Ya.A.; Cheshnitskij, S.M.; Fotiev, A.A.; Tret' yakov, Yu.D.

1985-04-01

Using the method of drop-calorimetry i.e. drop into the calorimeter cell being at the specified temperature of the specimen thermostated at 298 K, for studying reactions of peritectic decomposition of compounds for determining their formation enthalpies is considered. The measurements have been performed at 973 K using high temperature double microcalorimeter. The values ..delta..H/sub 1/=(367.0 +- 2.8) kJ/mol and ..delta..H/sub 2/=)343.9 +- 3.1) kJ/mol are obtained as a result of two series of measurements (6 experiments in each). The advantage of the described technique consists in the fact that the value of enthalpy of compound formation is obtained as a result of direct calorimetric measurements while in the e.m.f. method this value is determined as a coefficient in the Gibbs energy temperature dependence. The method is simple and does not require much time (one measurement takes 30-40 min).

Determination of formation enthalpies of incongruently fusing compounds

International Nuclear Information System (INIS)

Kesler, Ya.A.; Cheshnitskij, S.M.; Fotiev, A.A.; Tret'yakov, Yu.D.

1985-01-01

Using the method of drop-calorimetry i.e. drop into the calorimeter cell being at the specified temperature of the specimen thermostated at 298 K, for studying reactions of peritectic decomposition of compounds for determining their formation enthalpies is considered. The measurements have been performed at 973 K using high temperature double microcalorimeter. The values ΔH 1 =(367.0+-2.8) kJ/mol and ΔH 2 =)343.9+-3.1) kJ/mol are obtained as a result of two series of measurements (6 experiments in each). The advantage of the described technique consists in the fact that the value of enthalpy of compound formation is obtained as a result of direct calorimetric measurements while in the e.m.f. method this value is determined as a coefficient in the Gibbs energy temperature dependence. The method is simple and does not require much time (one measurement takes 30-40 min)

Vaporization enthalpies of imidazolium based ionic liquids. A thermogravimetric study of the alkyl chain length dependence

International Nuclear Information System (INIS)

Verevkin, Sergey P.; Zaitsau, Dzmitry H.; Emel’yanenko, Vladimir N.; Ralys, Ricardas V.; Yermalayeu, Andrei V.; Schick, Christoph

2012-01-01

Highlights: ► Enthalpies of vaporization of ionic liquids were measured with thermogravimetry. ► We studied 1-alkyl-3-methyl-imidazolium bis(trifluoromethanesulfonyl)imide. ► The linear alkyl chain length was 4, 6, 8, 10, 12, 14, 16, and 18 C-atoms. ► A linear dependence on the chain length of the alkyl-imidazolium cation was found. - Abstract: Vaporization enthalpies for a series of ten ionic liquids (ILs) 1-alkyl-3-methyl-imidazolium bis(trifluoromethanesulfonyl)imide [C n mim][NTf 2 ], with the alkyl chain length n = 4, 6, 8, 10, 12, 14, 16, and 18 were determined using the thermogravimetric method. An internally consistent set of experimental data and vaporization enthalpies at 540 K was obtained. Vaporization enthalpies at 540 K have shown a linear dependence on the chain length of the alkyl-imidazolium cation in agreement with the experimental results measured previously with a quartz crystal microbalance. Ambiguity of Δ l g C pm o -values required for the extrapolation of experimental vaporization enthalpies to the reference temperature 298 K has been discussed.

Thermodynamics of Uranyl Minerals: Enthalpies of Formation of Uranyl Oxide Hydrates

Energy Technology Data Exchange (ETDEWEB)

K. Kubatko; K. Helean; A. Navrotsky; P.C. Burns

2005-05-11

The enthalpies of formation of seven uranyl oxide hydrate phases and one uranate have been determined using high-temperature oxide melt solution calorimetry: [(UO{sub 2}){sub 4}O(OH){sub 6}](H{sub 2}O){sub 5}, metaschoepite; {beta}-UO{sub 2}(OH){sub 2}; CaUO{sub 4}; Ca(UO{sub 2}){sub 6}O{sub 4}(OH){sub 6}(H{sub 2}O){sub 8}, becquerelite; Ca(UO{sub 2}){sub 4}O{sub 3}(OH){sub 4}(H{sub 2}O){sub 2}; Na(UO{sub 2})O(OH), clarkeite; Na{sub 2}(UO{sub 2}){sub 6}O{sub 4}(OH){sub 6}(H{sub 2}O){sub 7}, the sodium analogue of compreignacite and Pb{sub 3}(UO{sub 2}){sub 8}O{sub 8}(OH){sub 6}(H{sub 2}O){sub 2}, curite. The enthalpy of formation from the binary oxides, {Delta}H{sub f-ox}, at 298 K was calculated for each compound from the respective drop solution enthalpy, {Delta}H{sub ds}. The standard enthalpies of formation from the elements, {Delta}H{sub f}{sup o}, at 298 K are -1791.0 {+-} 3.2, -1536.2 {+-} 2.8, -2002.0 {+-} 3.2, -11389.2 {+-} 13.5, -6653.1 {+-} 13.8, -1724.7 {+-} 5.1, -10936.4 {+-} 14.5 and -13163.2 {+-} 34.4 kJ mol{sup -1}, respectively. These values are useful in exploring the stability of uranyl oxide hydrates in auxiliary chemical systems, such as those expected in U-contaminated environments.

Standard enthalpies of formation of selected Rh2YZ Heusler compounds

International Nuclear Information System (INIS)

Yin, Ming; Nash, Philip

2015-01-01

The standard enthalpies of formation (Δ f H°) of selected ternary Rh-based Rh 2 YZ (Y = Cu, Fe, Mn, Ni, Ru, Ti, V; Z = Al, Ga, In, Si, Ge, Sn) compounds were measured using high temperature direct reaction calorimetry. The measured standard enthalpies of formation (in kJ/mol of atoms) are, for the Heusler compound Rh 2 MnSn (−40.1 ± 3.6), for the B2-structured compounds: Rh 2 FeAl (−48.5 ± 2.9); Rh 2 MnAl (−72.4 ± 2.7); Rh 2 MnGa (−55.3 ± 2.0); Rh 2 MnIn (−35.3 ± 1.9), for the tetragonal compounds: Rh 2 FeSn (−28.9 ± 1.3); Rh 2 TiAl (−97.6 ± 2.2); Rh 2 TiGa (−79.0 ± 1.8); Rh 2 TiSn (−74.7 ± 3.1). Values are compared with those from first principles calculations in published papers and the Open Quantum Materials Database (OQMD). Lattice parameters of these compounds are determined using X-ray diffraction analysis (XRD). Microstructures were characterized using scanning electron microscopy (SEM) and Energy Dispersive Spectroscopy (EDS). - Highlights: • Standard enthalpies of formation of Rh 2 YZ were measured using a drop calorimeter. • Measured enthalpies agree with first principles data in general. • Lattice parameters and related phase relationships were consistent with literature data. • Rh 2 TiSn of tI8 structure were reported for the first time.

Dominant Alcohol-Protein Interaction via Hydration-Enabled Enthalpy-Driven Binding Mechanism

Science.gov (United States)

Chong, Yuan; Kleinhammes, Alfred; Tang, Pei; Xu, Yan; Wu, Yue

2015-01-01

Water plays an important role in weak associations of small drug molecules with proteins. Intense focus has been on binding-induced structural changes in the water network surrounding protein binding sites, especially their contributions to binding thermodynamics. However, water is also tightly coupled to protein conformations and dynamics, and so far little is known about the influence of water-protein interactions on ligand binding. Alcohols are a type of low-affinity drugs, and it remains unclear how water affects alcohol-protein interactions. Here, we present alcohol adsorption isotherms under controlled protein hydration using in-situ NMR detection. As functions of hydration level, Gibbs free energy, enthalpy, and entropy of binding were determined from the temperature dependence of isotherms. Two types of alcohol binding were found. The dominant type is low-affinity nonspecific binding, which is strongly dependent on temperature and the level of hydration. At low hydration levels, this nonspecific binding only occurs above a threshold of alcohol vapor pressure. An increased hydration level reduces this threshold, with it finally disappearing at a hydration level of h~0.2 (g water/g protein), gradually shifting alcohol binding from an entropy-driven to an enthalpy-driven process. Water at charged and polar groups on the protein surface was found to be particularly important in enabling this binding. Although further increase in hydration has smaller effects on the changes of binding enthalpy and entropy, it results in significant negative change in Gibbs free energy due to unmatched enthalpy-entropy compensation. These results show the crucial role of water-protein interplay in alcohol binding. PMID:25856773

The vapor pressure and enthalpy of vaporization of M-xylene

Energy Technology Data Exchange (ETDEWEB)

Rothenberg, S J; Seiler, F A; Bechtold, W E; Eidson, A F

1988-12-01

We measured the vapor pressure of m-xylene over the temperature range 273 to 293 deg K with a single-sided capacitance manometer. The enthalpy of vaporization was 42.2 {+-} 0.1 (SE) kj/ g{center_dot}mol. Combining our own data with previously published data, we recommend using the values 42.0, 40.6, and 39.1 ({+-} 0.1) (SE) kjg{center_dot}mol for the enthalpy of vaporization of m-xylene at 300, 340, and 380 deg. K, respectively, and a value for the change in heat capacity on vaporization ({delta}Cpdeg.) of 35 {+-} 3 (SE) J/g{center_dot}mol{center_dot}K over the temperature range studied. (author)

Enthalpy - entropy compensation effect in grain boundary phenomena

Czech Academy of Sciences Publication Activity Database

Lejček, Pavel

2005-01-01

Roč. 96, č. 10 (2005), s. 1129-1133 ISSN 0044-3093 R&D Projects: GA MPO(CZ) FF-P2/053 Institutional research plan: CEZ:AV0Z10100520 Keywords : compensation effect * enthalpy * entropy * thermodynamics * grain boundary Subject RIV: BJ - Thermodynamics Impact factor: 0.842, year: 2005

Tuning facial-meridional isomerisation in monometallic nine-co-ordinate lanthanide complexes with unsymmetrical tridentate ligands.

Science.gov (United States)

Le Borgne, Thierry; Altmann, Peter; André, Nicolas; Bünzli, Jean-Claude G; Bernardinelli, Gérald; Morgantini, Pierre-Yves; Weber, Jacques; Piguet, Claude

2004-03-07

The unsymmetrical tridentate benzimidazole-pyridine-carboxamide units in ligands L1-L4 react with trivalent lanthanides, Ln(III), to give the nine-co-ordinate triple-helical complexes [Ln(Li)3]3+ (i = 1-4) existing as mixtures of C3-symmetrical facial and C1-symmetrical meridional isomers. Although the beta13 formation constants are 3-4 orders of magnitude smaller for these complexes than those found for the D3-symmetrical analogues [Ln(Li)3]3+ (i = 5-6) with symmetrical ligands, their formation at the millimolar scale is quantitative and the emission quantum yield of [Eu(L2)3]3+ is significantly larger. The fac-[Ln(Li)3]3+ mer-[Ln(Li)3]3+ (i = 1-4) isomerisation process in acetonitrile is slow enough for Ln = Lu(III) to be quantified by 1H NMR below room temperature. The separation of enthalpic and entropic contributions shows that the distribution of the facial and meridional isomers can be tuned by the judicious peripheral substitution of the ligands affecting the interstrand interactions. Molecular mechanics (MM) calculations suggest that one supplementary interstrand pi-stacking interaction stabilises the meridional isomers, while the facial isomers benefit from more favourable electrostatic contributions. As a result of the mixture of facial and meridional isomers in solution, we were unable to obtain single crystals of 1:3 complexes, but the X-ray crystal structures of their nine-co-ordinate precursors [Eu(L1)2(CF3SO3)2(H2O)](CF3SO3)(C3H5N)2(H2O) (6, C45H54EuF9N10O13S3, monoclinic, P2(1)/c, Z = 4) and [Eu(L4)2(CF3SO3)2(H2O)](CF3SO3)(C4H4O)(1.5) (7, C51H66EuF9N8O(15.5)S3, triclinic, P1, Z = 2) provide crucial structural information on the binding mode of the unsymmetrical tridentate ligands.

Standard molar enthalpies of formation of copper(II) {beta}-diketonates and monothio-{beta}-diketonates

Energy Technology Data Exchange (ETDEWEB)

Ribeiro da Silva, Manuel A.V. [Centro de Investigacao em Quimica, Departamento de Quimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal)]. E-mail: risilva@fc.up.pt; Santos, Luis M.N.B.F. [Centro de Investigacao em Quimica, Departamento de Quimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal)

2006-07-15

The standard (p{sup o}=0.1MPa) molar enthalpies of formation of the crystalline complexes of dibenzoylmethane (Hdbm), thenoyltrifluoroacetone (Httfa), monothiodibenzoylmethane (HdbmS), and monothiothenoyltrifluoroacetone (HttfaS) of copper(II) were determined, at T=298.15K, by high precision solution-reaction calorimetry. The standard molar enthalpies of sublimation of the copper(II) {beta}-diketonate complexes were measured by high-temperature Calvet microcalorimetry. From the standard molar enthalpies of formation of the complexes in the gaseous state, the mean molar dissociation enthalpies copper(II)-ligand, (Cu-L), were derived. {delta}{sub f}H{sub m}{sup o} (cr){delta}{sub cr}{sup g}H{sub m}{sup o} kJ.mol{sup -1}kJ.mol{sup -1}Bis(dibenzoylmethanate)copper(II), Cu(dbm){sub 2}-364.0+/-3.9230.7+/-8.2Bis(thenoyltrifluoroacetonate)copper(II), Cu(ttfa){sub 2}-1824.3+/-8.3167.9+/-7.4Bis(monothiodibenzoylmethanate)copper(II), Cu(dbmS){sub 2}35.6+/-7.7[241+/-15]Bis(monothiothenoyltrifluoroacetonate) copper(II), Cu(ttfaS){sub 2}-1405.7+/-8.3[177+/-15].

Enthalpies of mixing in the ternary system aluminium chloride - potassium chloride - aluminium chloride monoamine

Energy Technology Data Exchange (ETDEWEB)

Hatem, G.; Gaune-Escard, M.; Bros, J.P. (Aix-Marseille-2 Univ., 13 - Marseille (France). Centre de Saint Jerome); Ostvold, T. (Norges Tekniske Hoegskole, Trondheim (Norway). Inst. for Uorganisk Kjemi)

1988-06-01

Quasi binary enthalpy of mixing experiments have been performed in the ternary liquid system AlCl{sub 3}-AlCl{sub 3}NH{sub 3}-KCl by mixing AlCl{sub 3} + KCl with AlCl{sub 3}NH{sub 3} keeping the ratio X{sub AlCl3}/X{sub KCl} = 1.125, 1.5 and 2.0, respectively. At X{sub AlCl3}NH{sub 3} = 0.5 and T = 270deg C the enthalpies of mixing were {approx equal} -430 J mol{sup -1} for all the quasi-binaries studied. The new enthalpy data are not fully consistent with published vapour pressure data and thermodynamic model calculations. (orig.).

Determination of standard molar enthalpies of formation of SrMoO4 micro/nano structures

International Nuclear Information System (INIS)

Guo, Yunxiao; Fan, Gaochao; Huang, Zaiyin; Sun, Jilong; Wang, Lude; Wang, Tenghui; Chen, Jie

2012-01-01

Graphical abstract: Schematic illustration of thermochemical cycle between the nano and bulk reaction systems. Highlights: ► A thermochemical cycle was designed. ► Relationship of standard molar enthalpies of formation between micro/nano and bulk SrMoO 4 was gained. ► Microcalorimetry was used as a supplementary technology. ► Standard molar enthalpies of formation of the synthesized micro/nano SrMoO 4 were obtained. ► This novel approach can be used to other micro/nano materials. - Abstract: SrMoO 4 micro/nano structures were prepared by a simple reverse microemulsion method and were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and scanning electron microscope (SEM). In order to associate standard molar enthalpies of formation of nano SrMoO 4 with bulk SrMoO 4 , the relationship of them was obtained through designing a thermochemical cycle according to thermodynamic potential function method. Combined with microcalorimetry, the standard molar enthalpies of formation of the synthesized micro/nano SrMoO 4 at 298.15 K were gained in this paper. And the variation of standard molar enthalpies of formation of micro/nano SrMoO 4 with different morphologies and sizes was discussed.

Modified solution calorimetry approach for determination of vaporization and sublimation enthalpies of branched-chain aliphatic and alkyl aromatic compounds at T = 298.15 K

International Nuclear Information System (INIS)

Varfolomeev, Mikhail A.; Novikov, Vladimir B.; Nagrimanov, Ruslan N.; Solomonov, Boris N.

2015-01-01

Highlights: • Solution enthalpies of 18 branching-chain alkyl aromatic and aliphatic compounds in cyclohexane were measured. • Group contributions to the enthalpy of solvation due to branching and substitution in carbon chain were evaluated. • Modified solution calorimetry based approach for determination of vaporization/sublimation enthalpies was proposed. • This approach provides vaporization/sublimation enthalpies directly at T = 298.15 K. • Vaporization/sublimation enthalpies of 35 branched-chain alkyl aromatic and aliphatic compounds were determined. - Abstract: The enthalpies of solution, solvation and vaporization/sublimation are interrelated values combined in the simplest thermodynamic circle. Hence, experimental determination of vaporization/sublimation enthalpy can be substituted by experimentally simpler determination of solution enthalpy when solvation enthalpy is known. Previously it was found that solvation enthalpies of a wide range of unbranched aliphatic and aromatic solutes in saturated hydrocarbons are in good linear correlation with their molar refraction values. This allows to estimate the vaporization/sublimation enthalpy of any unbranched organic compound from its solution enthalpy in saturated hydrocarbon and molar refraction. In the present work this approach was modified for determination of vaporization/sublimation enthalpy of branched-chain alkyl aromatic and aliphatic compounds. Group contributions to the enthalpy of solvation due to the branching of carbon chain were evaluated. Enthalpies of solution at infinite dilution of 18 branched-chain aliphatic and alkyl aromatic compounds were measured at T = 298.15 K. Vaporization/sublimation enthalpies for 35 branched aliphatic and alkyl aromatic compounds were determined by using modified solution calorimetry approach. These values are in good agreement with available literature data on vaporization/sublimation enthalpies obtained by conventional methods.

Kinetics and enthalpy of crystallization of uric acid dihydrate

International Nuclear Information System (INIS)

Sádovská, Galina; Honcová, Pavla; Sádovský, Zdeněk

2013-01-01

Highlights: • The kinetic constant and growth order of crystallization of uric acid dihydrate was calculated. • The equation describing first-order crystal growth was derived. • The enthalpy of crystallization of uric acid dihydrate was determined. - Abstract: The kinetics of crystallization of uric acid dihydrate in aqueous solution with a constant ionic strength 0.3 mol dm −3 NaCl and at thermodynamic and physiological temperature (25 and 37 °C) was studied using isoperibolic reaction twin calorimeter. The enthalpy of crystallization Δ cr H = −47.3 ± 0.9 and −46.2 ± 1.4 kJ mol −1 and kinetic constant k g = 2.0 × 10 −8 and 9.6 × 10 −8 m 4 s −1 mol −1 were determined at 25 and 37 °C, respectively

Standard molar enthalpies of formation of 1-methyl-2-piperidinemethanol, 1-piperidineethanol, and 2-piperidineethanol

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Cabral, Joana I.T.A.

2006-01-01

The standard (p o =0.1MPa) molar enthalpies of combustion, Δ c H m o , for the liquid compounds 1-methyl-2-piperidinemethanol, 1-piperidineethanol, and 2-piperidineethanol, were measured by static bomb calorimetry, in oxygen, at T=298.15K. The standard molar enthalpies of vaporization, at T=298.15K, of these three liquid compounds were determined by Calvet microcalorimetry. -Δ c H m o (l)/(kJ.mol -1 )Δ l g H m o /(kJ.mol -1 )1-Methyl-2-piperidinemethanol4598.3+/-1.868. 22+/-0.711-Piperidineethanol4595.2+/-1.764.18+/-0.812 -Piperidineethanol4566.2+/-1.375.24+/-0.52 These values, were used to derive the standard molar enthalpies of formation of the compounds, at T=298.15K, in their liquid and gaseous phase, respectively. The derived standard molar enthalpies of formation, in the gaseous state, are analyzed in terms of enthalpic increments and interpreted in terms of molecular structure.

Enthalpy-based equation of state for highly porous materials employing modified soft sphere fluid model

Science.gov (United States)

Nayak, Bishnupriya; Menon, S. V. G.

2018-01-01

Enthalpy-based equation of state based on a modified soft sphere model for the fluid phase, which includes vaporization and ionization effects, is formulated for highly porous materials. Earlier developments and applications of enthalpy-based approach had not accounted for the fact that shocked states of materials with high porosity (e.g., porosity more than two for Cu) are in the expanded fluid region. We supplement the well known soft sphere model with a generalized Lennard-Jones formula for the zero temperature isotherm, with parameters determined from cohesive energy, specific volume and bulk modulus of the solid at normal condition. Specific heats at constant pressure, ionic and electronic enthalpy parameters and thermal excitation effects are calculated using the modified approach and used in the enthalpy-based equation of state. We also incorporate energy loss from the shock due to expansion of shocked material in calculating porous Hugoniot. Results obtained for Cu, even up to initial porosities ten, show good agreement with experimental data.

The mixing enthalpy of the Pb-Te system

International Nuclear Information System (INIS)

Blachnik, R.; Gather, B.

1983-01-01

The thermodynamic properties of molten Pb-Te alloys were measured at 1210 K in a Setaram-Calvet-type calorimeter. It was found that the enthalpy of mixing has a pronounced minimum of -26250 +- 950 J mol - 1 at 52 mol.%Te. The results obtained are discussed in terms of an ionic model. (Auth.)

Extension of the segment-based Wilson and NRTL models for correlation of excess molar enthalpies of polymer solutions

International Nuclear Information System (INIS)

Sadeghi, Rahmat

2005-01-01

The polymer Wilson model and the polymer NRTL model have been extended for the representation of the excess enthalpy of multicomponent polymer solutions. Applicability of obtained equations in the correlation of the excess enthalpies of polymer solutions has been examined. It is found that the both models are suitable models in representing the published excess enthalpy data for the tested polymer solutions

Generalized enthalpy model of a high-pressure shift freezing process

KAUST Repository

Smith, N. A. S.

2012-05-02

High-pressure freezing processes are a novel emerging technology in food processing, offering significant improvements to the quality of frozen foods. To be able to simulate plateau times and thermal history under different conditions, in this work, we present a generalized enthalpy model of the high-pressure shift freezing process. The model includes the effects of pressure on conservation of enthalpy and incorporates the freezing point depression of non-dilute food samples. In addition, the significant heat-transfer effects of convection in the pressurizing medium are accounted for by solving the two-dimensional Navier-Stokes equations. We run the model for several numerical tests where the food sample is agar gel, and find good agreement with experimental data from the literature. © 2012 The Royal Society.

Low-enthalpy geothermal resources for electricity production: A demand-side management study for intelligent communities

International Nuclear Information System (INIS)

Xydis, George A.; Nanaki, Evanthia A.; Koroneos, Christopher J.

2013-01-01

The geological conditions in Greece contributed to the creation of important low-enthalpy geothermal energy resources (LEGERs). The resources are divided into low, medium and high enthalpy, or temperature, based on criteria that are generally based on the energy content of the fluid. LEGERs are those sources of the hot water whose temperature is between 25 and 100 °C, which are used for heating residences and in the agricultural or industrial sector. The investigation for the exploitation of low-enthalpy geothermal fluids, which began around 1980, intensified in the last two decades. The low-enthalpy geothermal potential in Greece is rather significant as most of the geothermal fields have been found in regions with favourable developmental conditions, and it seems that they do not present serious environmental or technical exploitation problems. LEGER areas are abundant in Greece, mainly in the eastern and northern part of the country, as well as in many of the Aegean Islands. The aim of this work is to review the options for managing wind load by using low-enthalpy geothermal energy for electricity (through heat pump utilisation) according to the local energy demand. -- Highlights: •Approximately 45.43 GWh per year of electricity can be covered from low-enthalpy geothermal energy resources (LEGERs). •In particular, 10% of the electricity demand can be covered from the LEGER N. Kessani (NK). •The needs for LEGER contribution were increased when wind turbine (WT) production was low. •In winter, where there is abundance of wind, LEGER can be used mostly for heating. •During summer, LEGER can assist more in electricity when heating is not needed

Equivalent Temperature-Enthalpy Diagram for the Study of Ejector Refrigeration Systems

Directory of Open Access Journals (Sweden)

Mohammed Khennich

2014-05-01

Full Text Available The Carnot factor versus enthalpy variation (heat diagram has been used extensively for the second law analysis of heat transfer processes. With enthalpy variation (heat as the abscissa and the Carnot factor as the ordinate the area between the curves representing the heat exchanging media on this diagram illustrates the exergy losses due to the transfer. It is also possible to draw the paths of working fluids in steady-state, steady-flow thermodynamic cycles on this diagram using the definition of “the equivalent temperature” as the ratio between the variations of enthalpy and entropy in an analyzed process. Despite the usefulness of this approach two important shortcomings should be emphasized. First, the approach is not applicable for the processes of expansion and compression particularly for the isenthalpic processes taking place in expansion valves. Second, from the point of view of rigorous thermodynamics, the proposed ratio gives the temperature dimension for the isobaric processes only. The present paper proposes to overcome these shortcomings by replacing the actual processes of expansion and compression by combinations of two thermodynamic paths: isentropic and isobaric. As a result the actual (not ideal refrigeration and power cycles can be presented on equivalent temperature versus enthalpy variation diagrams. All the exergy losses, taking place in different equipments like pumps, turbines, compressors, expansion valves, condensers and evaporators are then clearly visualized. Moreover the exergies consumed and produced in each component of these cycles are also presented. The latter give the opportunity to also analyze the exergy efficiencies of the components. The proposed diagram is finally applied for the second law analysis of an ejector based refrigeration system.

Standard molar enthalpies of formation of nickel(II) {beta}-diketonates and monothio-{beta}-diketonates

Energy Technology Data Exchange (ETDEWEB)

Ribeiro da Silva, Manuel A.V. [Centro de Investigacao em Quimica, Departamento de Quimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal)]. E-mail: risilva@fc.up.pt; Santos, Luis M.N.B.F. [Centro de Investigacao em Quimica, Departamento de Quimica, Faculdade de Ciencias, Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Giera, Edward [Faculty of Chemistry, Wroclaw University, ul. F. Joliot-Curie 14, 50-383 Wroclaw (Poland)

2007-03-15

The standard (p{sup o}=0.1MPa) molar enthalpies of formation of the crystalline diaquobis(dibenzoylmethanate)nickel(II), Ni(dbm){sub 2}(H{sub 2}O){sub 2}, diaquobis(thenoyltrifluoroacetonate)nickel(II), Ni(ttfa){sub 2}(H{sub 2}O){sub 2} bis(monothiodibenzoylmethanate)nickel(II), Ni(dbmS){sub 2} and bis(monothiothenoyltrifluoroacetonate)nickel(II), Ni(HttfaS){sub 2} were determined, at T=298.15K, by high precision solution-reaction calorimetry. The standard molar enthalpy of sublimation of the monothiothenoyltrifluoroacetone (HttfaS) complex was measured by high-temperature Calvet microcalorimetry. From the standard molar enthalpies of formation of the complexes in the gaseous state, the mean nickel(II)-ligand molar dissociation enthalpies, (Ni-L), were derived. {delta}{sub f}H{sub m}{sup o}(cr)/(kJ.mol{sup -1})Diaquobis(dibenzoylmethanate)nickel(II), Ni(dbm){sub 2}(H{sub 2}O){sub 2}-993.3+/-3.8Diaquobis(thenoyltrifluoroacetonate)nickel(II), Ni(ttfa){sub 2}(H{sub 2}O){sub 2}-2452.0+/-8.3Bis(monothiodibenzoylmethanate)nickel(II), Ni(dbmS){sub 2}-42.1+/-5.9Bis(monothiothenoyltrifluoroacetonate)nickel(II), Ni(ttfaS){sub 2}-1473.5+/-8.1.

Kinetics and enthalpy of crystallization of uric acid dihydrate

Energy Technology Data Exchange (ETDEWEB)

Sádovská, Galina, E-mail: galina.sadovska@upce.cz; Honcová, Pavla; Sádovský, Zdeněk

2013-08-20

Highlights: • The kinetic constant and growth order of crystallization of uric acid dihydrate was calculated. • The equation describing first-order crystal growth was derived. • The enthalpy of crystallization of uric acid dihydrate was determined. - Abstract: The kinetics of crystallization of uric acid dihydrate in aqueous solution with a constant ionic strength 0.3 mol dm{sup −3} NaCl and at thermodynamic and physiological temperature (25 and 37 °C) was studied using isoperibolic reaction twin calorimeter. The enthalpy of crystallization Δ{sub cr}H = −47.3 ± 0.9 and −46.2 ± 1.4 kJ mol{sup −1}and kinetic constant k{sub g} = 2.0 × 10{sup −8} and 9.6 × 10{sup −8} m{sup 4} s{sup −1} mol{sup −1} were determined at 25 and 37 °C, respectively.

Vapour pressures and enthalpies of vapourization of a series of the linear aliphatic nitriles

International Nuclear Information System (INIS)

Emel'yanenko, Vladimir N.; Verevkin, Sergey P.; Koutek, Bohumir; Doubsky, Jan

2005-01-01

Vapour pressures and the molar enthalpies of vapourization ΔlgHm-bar of the linear aliphatic nitriles C 7 -C 17 have been determined by the transpiration method. Kovat's indices of these compounds were measured by capillary gas-chromatography. A linear correlation of enthalpies of vapourization ΔlgHm-bar at T=298.15 K of the nitriles studied with the Kovats indices has been found

Examination of hydrogen-bonding interactions between dissolved solutes and alkylbenzene solvents based on Abraham model correlations derived from measured enthalpies of solvation

Energy Technology Data Exchange (ETDEWEB)

Varfolomeev, Mikhail A.; Rakipov, Ilnaz T. [Chemical Institute, Kazan Federal University, Kremlevskaya 18, Kazan 420008 (Russian Federation); Acree, William E., E-mail: acree@unt.edu [Department of Chemistry, 1155 Union Circle # 305070, University of North Texas, Denton, TX 76203-5017 (United States); Brumfield, Michela [Department of Chemistry, 1155 Union Circle # 305070, University of North Texas, Denton, TX 76203-5017 (United States); Abraham, Michael H. [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom)

2014-10-20

Highlights: • Enthalpies of solution measured for 48 solutes dissolved in mesitylene. • Enthalpies of solution measured for 81 solutes dissolved in p-xylene. • Abraham model correlations derived for enthalpies of solvation of solutes in mesitylene. • Abraham model correlations derived for enthalpies of solvation of solutes in p-xylene. • Hydrogen-bonding enthalpies reported for interactions of aromatic hydrocarbons with hydrogen-bond acidic solutes. - Abstract: Enthalpies of solution at infinite dilution of 48 organic solutes in mesitylene and 81 organic solutes in p-xylene were measured using isothermal solution calorimeter. Enthalpies of solvation for 92 organic vapors and gaseous solutes in mesitylene and for 130 gaseous compounds in p-xylene were determined from the experimental and literature data. Abraham model correlations are determined from the experimental enthalpy of solvation data. The derived correlations describe the experimental gas-to-mesitylene and gas-to-p-xylene solvation enthalpies to within average standard deviations of 1.87 kJ mol{sup −1} and 2.08 kJ mol{sup −1}, respectively. Enthalpies of X-H⋯π (X-O, N, and C) hydrogen bond formation of proton donor solutes (alcohols, amines, chlorinated hydrocarbons etc.) with mesitylene and p-xylene were calculated based on the Abraham solvation equation. Obtained values are in good agreement with the results determined using conventional methods.

How Robust Are the Surface Temperature Fingerprints of the Atlantic Overturning Meridional Circulation on Monthly Time Scales?

Science.gov (United States)

Alexander-Turner, R.; Ortega, P.; Robson, J. I.

2018-04-01

It has been suggested that changes in the Atlantic Meridional Overturning Circulation (AMOC) can drive sea surface temperature (SST) on monthly time scales (Duchez et al., 2016, https://doi.org/10.1002/2017GB005667). However, with only 11 years of continuous observations, the validity of this result over longer, or different, time periods is uncertain. In this study, we use a 120 yearlong control simulation from a high-resolution climate model to test the robustness of the AMOC fingerprints. The model reproduces the observed AMOC seasonal cycle and its variability, and the observed 5-month lagged AMOC-SST fingerprints derived from 11 years of data. However, the AMOC-SST fingerprints are very sensitive to the particular time period considered. In particular, both the Florida current and the upper mid-ocean transport produce highly inconsistent fingerprints when using time periods shorter than 30 years. Therefore, several decades of RAPID observations will be necessary to determine the real impact of the AMOC on SSTs at monthly time scales.

Measurement of the enthalpies of vaporization and sublimation of solids aromatic hydrocarbons by differential scanning calorimetry

International Nuclear Information System (INIS)

Rojas, Aaron; Orozco, Eulogio

2003-01-01

An experimental procedure is proposed for direct measurement of the heat involved in the vaporization of a solid organic compound above its normal melting temperature. This technique consists on the fusion of a solid aromatic hydrocarbon, which is then vaporized by a sudden decrease of the pressure. The direct register of heat flow as function of time by differential scanning calorimetry allows the quantifying of the enthalpy of vaporization of compounds such as phenanthrene, β-naphthol, pyrene, and anthracene. Enthalpies of vaporization were measured in an isothermal mode over a range of temperatures from 10 to 20 K above the melting temperatures of each compound, while enthalpies of fusion were determined from separate experiments performed in a scanning mode. Enthalpies of sublimation are computed from results of fusion and vaporization, and then compared with results from the literature, which currently are obtained by calorimetric or indirect techniques

Experimental and theoretical excess molar enthalpies of ternary and binary mixtures containing 2-Methoxy-2-Methylpropane, 1-propanol, heptane

International Nuclear Information System (INIS)

Mato, Marta M.; Cebreiro, Susana M.; Paz Andrade, María Inmaculada; Legido, José Luis

2013-01-01

Highlights: • Experimental enthalpies for the ternary system MTBE + propanol + heptane were measured. • No experimental ternary values were found in the currently available literature. • Experimental enthalpies for the binary system propanol + heptane were measured. • Excess molar enthalpies are positive over the whole range of composition. • The ternary contribution is also positive, and the representation is asymmetric. -- Abstract: Excess molar enthalpies, at the temperature of 298.15 K and atmospheric pressure, have been measured for the ternary system {x 1 2-Methoxy-2-Methylpropane (MTBE) + x 2 1-propanol + (1 − x 1 − x 2 ) heptane}, over the whole composition range. Also, experimental data of excess molar enthalpy for the involved binary mixture {x 1-propanol + (1 − x) heptane} at the 298.15 K and atmospheric pressure, are reported. We are not aware of any previous experimental measurement of excess enthalpy in the literature for the ternary system presented in this study. Values of the excess molar enthalpies were measured using a Calvet microcalorimeter. The ternary contribution to the excess enthalpy was correlated with the equation due to Morris et al. (1975) [15], and the equation proposed by Myers–Scott (1963) [14] was used to fitted the experimental binary mixture measured in this work. Additionally, the experimental results are compared with the estimations obtained by applying the group contribution model of UNIFAC, in the versions of Larsen et al. (1987) [16] and Gmehling et al. (1993) [17]. Several empirical expressions for estimating ternary properties from binary results were also tested

The Calculation of Standard Enthalpies of Formation of Alkanes: Illustrating Molecular Mechanics and Spreadsheet Programs

Science.gov (United States)

Hawk, Eric Leigh

1999-02-01

How group increment methods may be used to predict standard enthalpies of formation of alkanes is outlined as an undergraduate computational chemistry experiment. The experiment requires input and output data sets. Although users may create their own data sets, both sets are provided. The input data set contains experimentally determined gas-phase standard enthalpies of formation and calculated steric energies for 10 alkanes. The steric energy for an alkane is calculated via a Molecular Mechanics approach employing Allinger's MM3 force field. Linear regression analysis on data contained in the input data set generates the coefficients that are used with the output data set to calculate standard enthalpies of formation for 15 alkanes. The average absolute error for the calculated standard enthalpies of formation is 1.22 kcal/mol. The experiment is highly suited to those interested in incorporating more computational chemistry in their curricula. In this regard, it is ideally suited for a physical chemistry laboratory, but it may be used in an organic chemistry course as well.

A new method for the determination of vaporization enthalpies of ionic liquids at low temperatures.

Science.gov (United States)

Verevkin, Sergey P; Zaitsau, Dzmitry H; Emelyanenko, Vladimir N; Heintz, Andreas

2011-11-10

A new method for the determination of vaporization enthalpies of extremely low volatile ILs has been developed using a newly constructed quartz crystal microbalance (QCM) vacuum setup. Because of the very high sensitivity of the QCM it has been possible to reduce the average temperature of the vaporization studies by approximately 100 K in comparison to other conventional techniques. The physical basis of the evaluation procedure has been developed and test measurements have been performed with the common ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide [C(2)mim][NTf(2)] extending the range of measuring vaporization enthalpies down to 363 K. The results obtained for [C(2)mim][NTf(2)] have been tested for thermodynamic consistency by comparison with data already available at higher temperatures. Comparison of the temperature-dependent vaporization enthalpy data taken from the literature show only acceptable agreement with the heat capacity difference of -40 J K(-1) mol(-1). The method developed in this work opens also a new way to obtain reliable values of vaporization enthalpies of thermally unstable ionic liquids.

Vapor pressures and sublimation enthalpies of novel bicyclic heterocycle derivatives

International Nuclear Information System (INIS)

Blokhina, Svetlana V.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Perlovich, German L.; Proshin, Alexey N.

2014-01-01

Highlights: • The vapor pressures of novel bicyclo-derivatives of amine were measured. • Thermodynamic functions of sublimation were calculated. • The influence of substituent structure and chemical nature on the vapor pressure was studied. -- Abstract: The vapor pressures of five novel bicyclic heterocycle derivatives were measured over the temperature 341.15 to 396.15 K using the transpiration method by means of an inert gas carrier. From these results the standard enthalpies and Gibbs free energies of sublimation at the temperature 298.15 K were calculated. The effects of alkyl- and chloro-substitutions on changes in the thermodynamic functions have been investigated. Quantitative structure–property relationship on the basis HYBOT physico-chemical descriptors for biologically active compounds have been developed to predict the sublimation enthalpies and Gibbs free energies of the compounds studied

Enthalpy-increment measurements for CsI(s) and Cs2CrO4(s) by high-temperature Calvet calorimetry

International Nuclear Information System (INIS)

Venugopal, V.; Agarwal, R.; Roy, K.N.; Prasad, R.; Sood, D.D.

1987-01-01

Molar thermodynamic properties of CsI(s) and Cs 2 Cr O 4 (s) have been evaluated by enthalpy-increment measurements, using a Calvet high-temperature calorimeter. Least squares analyses were performed on the enthalpy increment results. Data is presented in tabular form for the dependence of enthalpy increments on temperature, in the range 333 to 822 K, for both caesium compounds, along with the thermal properties of the compounds. Good agreement is found between the present data and previously reported results on reduced enthalpy increments of CsI(s) and Cs 2 CrO 4 (s). (U.K.)

Controls on the meridional extent of tropical precipitation and its contraction under global warming

Science.gov (United States)

Donohoe, A.

2017-12-01

A method for decomposing changes and variability in the spatial structure of tropical precipitation into shifting (meridional translation), contracting, and intensifying modes of variability is introduced. We demonstrate that the shifting mode of tropical precipitation explains very little (20%) more of the tropical precipitation changes and variability. Furthermore, the contraction of tropical precipitation is highly correlated (R2 > 0.95) with an intensification of the precipitation in both the observations and forced modeled simulations. These results suggest that the simultaneous contraction and intensification of tropical precipitation is the dominant mode of variability and changes under external forcing. We speculate that tropical surface temperature controls this concurrent variability. Indeed, models robustly predict that tropical precipitation increases and meridionally contracts in response to increased CO2 and is reduced and meridionally expanded under glacial forcing and boundary conditions. In contrast, the directionality of the tropical precipitation shift is both ambiguous and small in magnitude in response to increased CO2. Furthermore, the ratio of the contraction/expansion to intensification/reduction is consistent in the continuum of climate states from the glacial climate to a modern climate to a 4XCO2 climate suggesting that the intensification and contraction are linked together via a single mechanism. We examine two mechanisms responsible for the contraction of the precipitation under global warming : i. the reduction of the seasonal cycle of energy input to the atmosphere due to sea ice retreat that results in the tropical precipitation remaining closer to the equator during the solsticial seasons and; ii. the increased gross moist stability of the tropical atmosphere as the surface warms resulting in a weaker cross-equatorial Hadley circulation during the solsticial seasons.

ATTILA - Atmospheric Tracer Transport In a Langrangian Model

Energy Technology Data Exchange (ETDEWEB)

Reithmeier, C.; Sausen, R.

2000-07-01

The Lagrangian model ATTILA (atmospheric tracer transport in a Lagrangian model) has been developed to treat the global-scale transport of passive trace species in the atmosphere within the framework of a general circulation model (GCM). ATTILA runs online within the GCM ECHAM4 and uses the GCM produced wind field to advect the centrois of 80.000 to 180.000 constant mass air parcels into which the model atmosphere is divided. Each trace constituent is thereby represented by a mass mixing ratio in each parcel. ATTILA contains state-of-the-art parameterizations of convection, turbulent boundary layer mixing, and interparcel transport and provides an algorithm to map the tracer concentrations from the trajectories to the ECHAM model grid. We use two experiments to evaluate the transport characteristics of ATTILA against observations and the standard semiLagrangian transport scheme of ECHAM. In the first experiment we simulate the distribution of the short-lived tracer Radon ({sup 222}Rn) in order to examine fast vertical transport over continents, and long-range transport from the continents to remote areas. In the second experiment, we simulate the distribution of radiocarbon ({sup 14}C) that was injected into the northern stratosphere during the nuclear weapon tests in the early 60ties, in order to examine upper tropospheric and stratospheric transport characteristics. ATTILA compares well to the observations and in many respects to the semiLagrangian scheme. However, contrary to the semiLagrangian scheme, ATTILA shows a greatly reduced meridional transport in the upper troposphere and lower stratosphere, and a reduced downward flux from the stratosphere to the troposphere, especially in midlatitudes. Since both transport schemes use the same model meteorology, we conclude that the often cited enhanced meridional transport and overestimated downward flux in ECHAM as described above is rather due to the numerical properties of the semiLagrangian scheme than due to an

Isothermogravimetric determination of the enthalpies of vaporization of 1-alkyl-3-methylimidazolium ionic liquids.

Science.gov (United States)

Luo, Huimin; Baker, Gary A; Dai, Sheng

2008-08-21

Vaporization enthalpies for two series of ionic liquids (ILs) composed of 1- n-alkyl-3-methylimidazolium cations, [Imm1+] (m=2, 3, 4, 6, 8, or 10), paired with either the bis(trifluoromethanesulfonyl)amide, [Tf2N-], or the bis(perfluoroethylsulfonyl)amide anion, [beti-], were determined using a simple, convenient, and highly reproducible thermogravimetric approach, and from these values, Hildebrand solubility parameters were estimated. Our results reveal two interesting and unanticipated outcomes: (i) methylation at the C2 position of [Imm1+] affords a significantly higher vaporization enthalpy; (ii) in all cases, the [beti-] anion served to lower the enthalpy of vaporization relative to [Tf2N-]. The widespread availability of the apparatus required for these measurements coupled with the ease of automation suggests the broad potential of this methodology for determining this critical parameter in a multitude of ILs.

The role of meltwater-induced subsurface ocean warming in regulating the Atlantic meridional overturning in glacial climate simulations

Energy Technology Data Exchange (ETDEWEB)

Brady, Esther C.; Otto-Bliesner, Bette L. [National Center for Atmospheric Research, Boulder, CO (United States)

2011-10-15

The Community Climate System Model version 3, (CCSM3) is used to investigate the effect of the high latitude North Atlantic subsurface ocean temperature response in idealized freshwater hosing experiments on the strength of the Atlantic meridional overturning circulation (AMOC). The hosing experiments covered a range of input magnitudes at two locations in a glacial background state. Subsurface subpolar ocean warms when freshwater is added to the high latitude North Atlantic (NATL cases) and weakly cools when freshwater is added to the Gulf of Mexico (GOM cases). All cases show subsurface ocean warming in the Southern Hemisphere (SH). The sensitivity of the AMOC response to the location and magnitude of hosing is related to the induced subsurface temperature response, which affects the magnitude of the large-scale meridional pressure gradient at depth through the effect on upper ocean density. The high latitude subsurface warming induced in the NATL cases lowers the upper ocean density in the deepwater formation region enhancing a density reduction by local freshening. In the GOM cases the effect of SH warming partially offsets the effect of the high latitude freshening on the meridional density gradient. Following the end of hosing, a brief convective event occurs in the largest NATL cases which flushes some of the heat stored in the subsurface layers. This fuels a rapid rise in AMOC that lasts less than a couple of decades before subsequent freshening from increases in precipitation and sea ice melt reverses the initial increase in the meridional density gradient. Thereafter AMOC recovery slows to the rate found in comparable GOM cases. The result for these glacial transient hosing experiments is that the pace of the longer recovery is not sensitive to location of the imposed freshwater forcing. (orig.)

Vapor pressures and enthalpies of vaporization of a series of γ and δ-lactones by correlation gas chromatography

International Nuclear Information System (INIS)

Kozlovskiy, Mikhail; Gobble, Chase; Chickos, James

2014-01-01

Highlights: • The vaporization enthalpies of γ-octanolactone, γ- and δ-undecanolactone and γ and δ-dodecanolactone are reported. • Equations for predicting the vapor pressures over the temperature range T = (298.15 to 350) K are provided. • Vaporization enthalpies are compared to predicted values. - Abstract: The vaporization enthalpies of γ-octanolactone, γ- and δ-undecanolactone and γ and δ-dodecanolactone used commercially as flavor ingredients are reported as are their vapor pressures over the temperature range T = (298.15 to 350) K. Vaporization enthalpies at T = 298.15 K of: (66.0 ± 3.9), (79.4 ± 4.4), (80.1 ± 4.5), (83.9 ± 4.6), and (84.61 ± 4.7) kJ · mol −1 and vapor pressures also at T = 298.15 K of: (2.8 ± 0.9), (0.12 ± 0.05), (0.09 ± 0.04), (0.04 ± 0.02), and (0.03 ± 0.02) Pa, respectively, have been evaluated by correlation gas chromatography experiments. The vaporization enthalpies of the lactones studied are reproduced within ±0.5 kJ · mol −1 using a group additivity scheme reported previously for γ- and δ-lactones. The vaporization enthalpies of the γ- and δ-lactones are compared to a similar series of ω-lactones

Standard enthalpies of formation of selected Rh{sub 2}YZ Heusler compounds

Energy Technology Data Exchange (ETDEWEB)

Yin, Ming, E-mail: myin1@hawk.iit.edu; Nash, Philip

2015-11-25

The standard enthalpies of formation (Δ{sub f}H°) of selected ternary Rh-based Rh{sub 2}YZ (Y = Cu, Fe, Mn, Ni, Ru, Ti, V; Z = Al, Ga, In, Si, Ge, Sn) compounds were measured using high temperature direct reaction calorimetry. The measured standard enthalpies of formation (in kJ/mol of atoms) are, for the Heusler compound Rh{sub 2}MnSn (−40.1 ± 3.6), for the B2-structured compounds: Rh{sub 2}FeAl (−48.5 ± 2.9); Rh{sub 2}MnAl (−72.4 ± 2.7); Rh{sub 2}MnGa (−55.3 ± 2.0); Rh{sub 2}MnIn (−35.3 ± 1.9), for the tetragonal compounds: Rh{sub 2}FeSn (−28.9 ± 1.3); Rh{sub 2}TiAl (−97.6 ± 2.2); Rh{sub 2}TiGa (−79.0 ± 1.8); Rh{sub 2}TiSn (−74.7 ± 3.1). Values are compared with those from first principles calculations in published papers and the Open Quantum Materials Database (OQMD). Lattice parameters of these compounds are determined using X-ray diffraction analysis (XRD). Microstructures were characterized using scanning electron microscopy (SEM) and Energy Dispersive Spectroscopy (EDS). - Highlights: • Standard enthalpies of formation of Rh{sub 2}YZ were measured using a drop calorimeter. • Measured enthalpies agree with first principles data in general. • Lattice parameters and related phase relationships were consistent with literature data. • Rh{sub 2}TiSn of tI8 structure were reported for the first time.

Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil

International Nuclear Information System (INIS)

Amaral, Luísa M.P.F.; Szterner, Piotr; Ribeiro da Silva, Manuel A.V.

2013-01-01

Highlights: • Δ c H m ° of two methyl-5,6-dihydrouracils have been determined by combustion calorimetry. • Vapor pressures were measured by the Knudsen effusion technique. • Gas phase enthalpies of formation of methyl-5,6-dihydrouracils, have been derived. -- Abstract: The standard (p° = 0.1 MPa) molar enthalpy of combustion, Δ c H m ° , of two crystalline compounds, 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil, were determined, at T = 298.15 K, using a static bomb combustion calorimeter. The vapor pressures as a function of the temperature were measured for those compounds, by the Knudsen effusion technique, and the standard molar enthalpies of sublimation at the mean temperature of the vapor pressure measurements were derived from the Clausius–Clapeyron equation, and corrected to T = 298.15 K using an estimated value for Δ cr g C p,m ° . These values were used to derive the standard molar enthalpies of formation of the two compounds studied, in the condensed and gaseous phases. Some considerations about the relative stability of the two isomers were made and compared with similar compounds

SYSTEMATIC CENTER-TO-LIMB VARIATION IN MEASURED HELIOSEISMIC TRAVEL TIMES AND ITS EFFECT ON INFERENCES OF SOLAR INTERIOR MERIDIONAL FLOWS

Energy Technology Data Exchange (ETDEWEB)

Zhao Junwei; Nagashima, Kaori; Bogart, R. S.; Kosovichev, A. G. [W. W. Hansen Experimental Physics Laboratory, Stanford University, Stanford, CA 94305-4085 (United States); Duvall, T. L. Jr. [Solar Physics Laboratory, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

2012-04-10

We report on a systematic center-to-limb variation in measured helioseismic travel times, which must be taken into account for an accurate determination of solar interior meridional flows. The systematic variation, found in time-distance helioseismology analysis using SDO/HMI and SDO/AIA observations, is different in both travel-time magnitude and variation trend for different observables. It is not clear what causes this systematic effect. Subtracting the longitude-dependent east-west travel times, obtained along the equatorial area, from the latitude-dependent north-south travel times, obtained along the central meridian area, gives remarkably similar results for different observables. We suggest this as an effective procedure for removing the systematic center-to-limb variation. The subsurface meridional flows obtained from inversion of the corrected travel times are approximately 10 m s{sup -1} slower than those obtained without removing the systematic effect. The detected center-to-limb variation may have important implications in the derivation of meridional flows in the deep interior and needs to be better understood.

SYSTEMATIC CENTER-TO-LIMB VARIATION IN MEASURED HELIOSEISMIC TRAVEL TIMES AND ITS EFFECT ON INFERENCES OF SOLAR INTERIOR MERIDIONAL FLOWS

International Nuclear Information System (INIS)

Zhao Junwei; Nagashima, Kaori; Bogart, R. S.; Kosovichev, A. G.; Duvall, T. L. Jr.

2012-01-01

We report on a systematic center-to-limb variation in measured helioseismic travel times, which must be taken into account for an accurate determination of solar interior meridional flows. The systematic variation, found in time-distance helioseismology analysis using SDO/HMI and SDO/AIA observations, is different in both travel-time magnitude and variation trend for different observables. It is not clear what causes this systematic effect. Subtracting the longitude-dependent east-west travel times, obtained along the equatorial area, from the latitude-dependent north-south travel times, obtained along the central meridian area, gives remarkably similar results for different observables. We suggest this as an effective procedure for removing the systematic center-to-limb variation. The subsurface meridional flows obtained from inversion of the corrected travel times are approximately 10 m s –1 slower than those obtained without removing the systematic effect. The detected center-to-limb variation may have important implications in the derivation of meridional flows in the deep interior and needs to be better understood.

Systematic Center-To-Limb Variation in Measured Helioseismic Travel Times and Its Effect on Inferences of Solar Interior Meridional Flows

Science.gov (United States)

Zhao, Junwei; Nagashima, Kaori; Bogart, R. S.; Kosovichev, Alexander; Duvall, T. L., Jr.

2012-01-01

We report on a systematic center-to-limb variation in measured helioseismic travel times, which must be taken into account for an accurate determination of solar interior meridional flows. The systematic variation, found in time-distance helioseismology analysis using SDO/HMI and SDO/AIA observations, is different in both travel-time magnitude and variation trend for different observables. It is not clear what causes this systematic effect. Subtracting the longitude-dependent east-west travel times, obtained along the equatorial area, from the latitude-dependent north-south travel times, obtained along the central meridian area, gives remarkably similar results for different observables. We suggest this as an effective procedure for removing the systematic center-to-limb variation. The subsurface meridional flows obtained from inversion of the corrected travel times are approximately 10 m s-1 slower than those obtained without removing the systematic effect. The detected center-to-limb variation may have important implications in the derivation of meridional flows in the deep interior and needs to be better understood.

Numerical analysis of flow in ultra micro centrifugal compressor -influence of meridional configuration

Science.gov (United States)

Kaneko, Masanao; Tsujita, Hoshio; Hirano, Toshiyuki

2013-04-01

A single stage ultra micro centrifugal compressor constituting ultra micro gas turbine is required to operate at high rotational speed in order to achieve the pressure ratio which establishes the gas turbine cycle. As a consequence, the aerodynamic losses can be increased by the interaction of a shock wave with the boundary layer on the blade surface. Moreover, the centrifugal force which exceeds the allowable stress of the impeller material can act on the root of blades. On the other hand, the restrictions of processing technology for the downsizing of impeller not only relatively enlarge the size of tip clearance but also make it difficult to shape the impeller with the three-dimensional blade. Therefore, it is important to establish the design technology for the impeller with the two-dimensional blade which possesses the sufficient aerodynamic performance and enough strength to bear the centrifugal force caused by the high rotational speed. In this study, the flow in two types of impeller with the two-dimensional blade which have different meridional configuration was analyzed numerically. The computed results clarified the influence of the meridional configuration on the loss generations in the impeller passage.

Temperature dependences of saturated vapor pressure and the enthalpy of vaporization of n-pentyl esters of dicarboxylic acids

Science.gov (United States)

Portnova, S. V.; Krasnykh, E. L.; Levanova, S. V.

2016-05-01

The saturated vapor pressures and enthalpies of vaporization of n-pentyl esters of linear C2-C6 dicarboxylic acids are determined by the transpiration method in the temperature range of 309.2-361.2 K. The dependences of enthalpies of vaporization on the number of carbon atoms in the molecule and on the retention indices have been determined. The predictive capabilities of the existing calculation schemes for estimation of enthalpy of vaporization of the studied compounds have been analyzed.

Application of low enthalpy geothermal energy

International Nuclear Information System (INIS)

Stancher, B.; Giannone, G.

2007-01-01

Geothermal energy comes from the superficial layers of the Earth's crust; it can be exploited in several ways, depending on its temperature. Many systems have been developed to use this clean and renewable energy resource. This paper deals with a particular application of low enthalpy geothermal energy in Latisana (district of Udine NE, Italy). The Latisana's indoor stadium is equipped with geothermal plant that uses low temperature water (29-30 0 ) to provide heating. Economic analysis shows that the cost of its plant is comparable to the cost powered by other kinds of renewable energy resources

Dependence of enthalpies of dissolution of β-alanyl-β-alanine on the composition of (water + alcohol) mixtures at 298.15 K

International Nuclear Information System (INIS)

Smirnov, Valeriy I.; Badelin, Valentin G.

2011-01-01

Highlights: · Enthalpies of dissolution of β-alanyl-β-alanine are measured in aqueous methanol, ethanol, 1-propanol and 2-propanol by calorimetry. · Standard values of dissolution and transfer enthalpies of β-alanyl-β-alanine and enthalpy coefficients of pair-wise interactions are calculated. · Dependences of the thermodynamic characteristics of dissolution of β-alanyl-β-alanine on the composition of (water + alcohol) mixtures are determined. - Abstract: The dissolution enthalpies of β-alanyl-β-alanine in aqueous methanol, ethanol, 1-propanol and 2-propanol solutions with an alcohol content up to 0.4 mole fractions have been measured calorimetrically at T = 298.15 K. The standard enthalpies of dissolution, Δ sol H o and transfer, Δ tr H o , of β-alanyl-β-alanine from water into mixed solvents and the enthalpy coefficients of pair-wise interactions, h xy , of β-alanyl-β-alanine with alcohol solvent molecules have been calculated. The results are discussed in terms of solute-solute and solute-solvent interactions.

Solar rotation and meridional motions derived from sunspot groups

International Nuclear Information System (INIS)

Tuominen, J.; Tuominen, I.; Kyroelaeinen, J.

1982-01-01

Latitudinal and longitudinal motions of sunspot groups have been studied using the positions of recurrent sunspot groups of 103 years published by Greenwich observatory. In order to avoid any limb effects, only positions close to the central meridian have been used. The data were divided into two parts: those belonging to the years around sunspot maxima and those belonging to the years around sunspot minima. Using several different criteria it was ascertained that sunspot groups show meridional motions and that their drift curves as a function of latitude are different around maxima and around minima. In addition, also the angular velocity, as a function of latitude, was found to be different around maxima and minima. (Auth.)

Group vector space method for estimating enthalpy of vaporization of organic compounds at the normal boiling point.

Science.gov (United States)

Wenying, Wei; Jinyu, Han; Wen, Xu

2004-01-01

The specific position of a group in the molecule has been considered, and a group vector space method for estimating enthalpy of vaporization at the normal boiling point of organic compounds has been developed. Expression for enthalpy of vaporization Delta(vap)H(T(b)) has been established and numerical values of relative group parameters obtained. The average percent deviation of estimation of Delta(vap)H(T(b)) is 1.16, which show that the present method demonstrates significant improvement in applicability to predict the enthalpy of vaporization at the normal boiling point, compared the conventional group methods.

Enthalpy measurement of lithium meta-titanate by drop calorimetry and its derived heat capacity

International Nuclear Information System (INIS)

Ishioka, Rika; Mukai, Keisuke; Terai, Takayuki; Suzuki, Akihiro

2013-01-01

Highlights: • Li 2 TiO 3 was synthesized by a neutralizing method. • Enthalpy of Li 2 TiO 3 was measured by a drop calorimeter. • Heat capacity of Li 2 TiO 3 was derived as a function of temperature. -- Abstract: Enthalpy of Li 2 TiO 3 , which was synthesized by a neutralizing method and its Li/Ti ratio was determined to be Li/Ti ratio (mol/mol) = 1.97, was measured by a drop calorimeter, and its heat capacity was derived as a function of temperature. XRD (X-ray diffraction) analysis of the sample before and after the enthalpy measurement indicated no phase change during the measurement and a single phase of Li 2 TiO 3 was observed. The enthalpy data were expressed as H(T) − H(323.17) (J/g) = 2.2 × 10 −5 ·T 2 + 1.4·T + 2.7 × 10 4 /T − 5.6 × 10 2 (373–1273 K), where T is temperature in K. The heat capacity was calculated as C p (J/g K) = 2.2 × 2 × 10 −5 ·T + 1.4–2.7 × 10 4 /T 2 by differentiating the equation by temperature. These equations have accuracy of 3%

Thermodynamic and transport properties of sodium liquid and vapor

International Nuclear Information System (INIS)

Fink, J.K.; Leibowitz, L.

1995-01-01

Data have been reviewed to obtain thermodynamically consistent equations for thermodynamic and transport properties of saturated sodium liquid and vapor. Recently published Russian recommendations and results of equation of state calculations on thermophysical properties of sodium have been included in this critical assessment. Thermodynamic properties of sodium liquid and vapor that have been assessed include: enthalpy, heat capacity at constant pressure, heat capacity at constant volume, vapor pressure, boiling point, enthalpy of vaporization, density, thermal expansion, adiabatic and isothermal compressibility, speed of sound, critical parameters, and surface tension. Transport properties of liquid sodium that have been assessed include: viscosity and thermal conductivity. For each property, recommended values and their uncertainties are graphed and tabulated as functions of temperature. Detailed discussions of the analyses and determinations of the recommended equations include comparisons with recommendations given in other assessments and explanations of consistency requirements. The rationale and methods used in determining the uncertainties in the recommended values are also discussed

Structural studies of cyclic ureas: 3. Enthalpy of formation of barbital

International Nuclear Information System (INIS)

Ribeiro da Silva, Maria das Dores M.C.; Ribeiro da Silva, Manuel A.V.; Freitas, Vera L.S.; Roux, Maria Victoria; Jimenez, Pilar; Temprado, Manuel; Davalos, Juan Z.; Cabildo, Pilar; Claramunt, Rosa M.; Elguero, Jose

2009-01-01

A thermochemical and thermophysical study has been carried out for crystalline barbital [5,5'-diethylbarbituric acid]. The thermochemical study was made by static bomb combustion calorimetry, from which the standard (p 0 =0.1MPa) molar enthalpy of formation of the crystalline barbital, at T = 298.15 K, was derived as -(753.0 ± 1.8) kJ . mol -1 . The thermophysical study was made by differential scanning calorimetry over the temperature interval (265 to 470) K. A solid-solid phase transition was found at T = 413.3 K. The vapour pressures of the crystalline barbital were measured at several temperatures between T = (355 and 377) K, by the Knudsen mass-loss effusion technique, from which the standard molar enthalpy of sublimation, at T = 298.15 K was derived as (117.3 ± 0.6) kJ . mol -1 . The combination of the experimental results yielded the standard molar enthalpy of formation of barbital in the gaseous phase, at T = 298.15 K, as -(635.8 ± 1.9) kJ . mol -1 . This value is compared and discussed with our theoretical calculations by several methods (Gaussian-n theories G2 and G3, complete basis set CBS-QB3, density functional B3P86 and B3LYP) by means of atomization and isodesmic reaction schemes.

Enthalpy of dissociation and hydration number of methane hydrate from the Clapeyron equation

International Nuclear Information System (INIS)

Anderson, Graydon K.

2004-01-01

The enthalpies of the reactions in which methane hydrate is dissociated to methane vapor and either (1) water, or (2) ice are determined by a new analysis using the Clapeyron equation. The difference in enthalpies of the two reactions is used to infer the hydration number at the quadruple point where hydrate, ice, liquid water, and methane vapor coexist. By appropriate corrections, the hydration number at points removed from the quadruple point is also determined. The most important feature of the new analysis is the direct use of the Clapeyron equation. The method avoids the use of certain simplifying assumptions that have compromised the accuracy of previous analyses in which the Clausius-Clapeyron equation was used. The analysis takes into account the finite volumes of all phases, the non-ideality of the vapor phase, and the solubility of methane in water. The results show that the enthalpy of dissociation and hydration number are constant within experimental error over the entire (hydrate, liquid, vapor) coexistence region. The results are more accurate than but entirely consistent with almost all previous studies

Impacts of Arctic precipitation changes on the downwelling limb of the Atlantic Meridional Overturning Circulation

NARCIS (Netherlands)

Katsman, C.A.; van der Sleen, N.; Bintanja, Richard; Selten, F.; Wijnberg, Kathelijne Mariken; Hulscher, Suzanne J.M.H.

2018-01-01

According to the latest IPCC report, under the RCP 8.5 scenario precipitation in the Arctic region may increase by as much as 50%. The projected 21stcentury decline of the Atlantic Meridional Overturning Circulation (AMOC) is attributed in part to this increase in precipitation and the associated

Molar volume, excess enthalpy, and Prigogine-Defay ratio of some silicate glasses with different (P,T) histories.

Science.gov (United States)

Wondraczek, Lothar; Behrens, Harald

2007-10-21

Structural relaxation in silicate glasses with different (p,T) histories was experimentally examined by differential scanning calorimetry and measurements of molar volume under ambient pressure. Temperature and pressure-dependent rates of changes in molar volume and generation of excess enthalpy were determined for sodium trisilicate, soda lime silicate, and sodium borosilicate (NBS) compositions. From the derived data, Prigogine-Defay ratios are calculated and discussed. Changes of excess enthalpy are governed mainly by changes in short-range structure, as is shown for NBS where boron coordination is highly sensitive to pressure. For all three glasses, it is shown how the relaxation functions that underlie volume, enthalpy, and structural relaxation decouple for changes in cooling rates and pressure of freezing, respectively. The magnitude of the divergence between enthalpy and volume may be related to differences in structural sensitivity to changes in the (p,V,T,t) space on different length scales. The findings suggest that the Prigogine-Defay ratio is related to the magnitude of the discussed decoupling effect.

Enthalpy of Vaporization and Vapor Pressures: An Inexpensive Apparatus

Science.gov (United States)

Battino, Rubin; Dolson, David A.; Hall, Michael A.; Letcher, Trevor M.

2007-01-01

A simple and inexpensive method to determine the enthalpy of vaporization of liquids by measuring vapor pressure as a function of temperature is described. The vapor pressures measured with the stopcock cell were higher than the literature values and those measured with the sidearm rubber septum cell were both higher and lower than literature…

Enthalpy and the mechanics of AdS black holes

International Nuclear Information System (INIS)

Kastor, David; Traschen, Jennie; Ray, Sourya

2009-01-01

We present geometric derivations of the Smarr formula for static AdS black holes and an expanded first law that includes variations in the cosmological constant. These two results are further related by a scaling argument based on Euler's theorem. The key new ingredient in the constructions is a two-form potential for the static Killing field. Surface integrals of the Killing potential determine the coefficient of the variation of Λ in the first law. This coefficient is proportional to a finite, effective volume for the region outside the AdS black hole horizon, which can also be interpreted as minus the volume excluded from a spatial slice by the black hole horizon. This effective volume also contributes to the Smarr formula. Since Λ is naturally thought of as a pressure, the new term in the first law has the form of effective volume times change in pressure that arises in the variation of the enthalpy in classical thermodynamics. This and related arguments suggest that the mass of an AdS black hole should be interpreted as the enthalpy of the spacetime.

Thermophysical properties and oxygen transport in (Thx,Pu1-x)O2.

Science.gov (United States)

Galvin, C O T; Cooper, M W D; Rushton, M J D; Grimes, R W

2016-10-31

Using Molecular Dynamics, this paper investigates the thermophysical properties and oxygen transport of (Th x ,Pu 1-x )O 2 (0 ≤ x ≤ 1) between 300-3500 K. In particular, the superionic transition is investigated and viewed via the thermal dependence of lattice parameter, linear thermal expansion coefficient, enthalpy and specific heat at constant pressure. Oxygen diffusivity and activation enthalpy are also investigated. Below the superionic temperature an increase of oxygen diffusivity for certain compositions of (Th x ,Pu 1-x )O 2 compared to the pure end members is predicted. Oxygen defect formation enthalpies are also examined, as they underpin the superionic transition temperature and the increase in oxygen diffusivity. The increase in oxygen diffusivity for (Th x ,Pu 1-x )O 2 is explained in terms of lower oxygen defect formation enthalpies for (Th x ,Pu 1-x )O 2 than PuO 2 and ThO 2 , while links are drawn between the superionic transition temperature and oxygen Frenkel disorder.

Direct measurements of the enthalpy of solution of solid solute in supercritical fluids: study on the CO2-naphthalene system.

Science.gov (United States)

Zhang, X; Han, B; Zhang, J; Li, H; He, J; Yan, H

2001-10-01

A setup for a calorimeter for simultaneously measuring the solubility and the solution enthalpy of solid solutes in supercritical fluids (SCFs) has been established. The enthalpy of solution of naphthalene in supercritical CO2 was measured at 308.15 K in the pressure range from 8.0-11.0 MPa. It was found that the enthalpy of solution (deltaH) was negative in the pressure range from 8.0 to 9.5 MPa, and the absolute value decreased with increasing pressure. In this pressure range, the dissolution of the solute was enthalpy driven. However, the deltaH became positive at pressures higher than 9.5 MPa, and the dissolution was entropy driven. Monte Carlo simulation was performed to analyze the local structural environment of the solvated naphthalene molecules in supercritical CO2 under the experimental conditions for the calorimetric measurements. By combining the enthalpy data and the simulation results, it can be deduced that the energy level of CO2 in the high compressible region is higher than that at higher pressures, which results in the large negative enthalpy of solution and the larger degree of solvent-solute clustering in the high compressible region.

Enthalpy increment measurements of Sr3Zr2O7(s) and Sr4Zr3O10(s)

International Nuclear Information System (INIS)

Banerjee, A.; Dash, S.; Prasad, R.; Venugopal, V.

1998-01-01

Enthalpy increment measurements on Sr 3 Zr 2 O 7 (s) and Sr 4 Zr 3 O 10 (s) were carried out using a Calvet micro-calorimeter. The enthalpy increment values were least squares analyzed with the constraints that H 0 (T)-H 0 (298.15 K) at 298.15 K equals to zero and C p 0 (298.15 K) equals to the estimated value. The dependence of enthalpy increment with temperature is given. (orig.)

The role of the meridional sea surface temperature gradient in controlling the Caribbean low-level jet

Science.gov (United States)

Maldonado, Tito; Rutgersson, Anna; Caballero, Rodrigo; Pausata, Francesco S. R.; Alfaro, Eric; Amador, Jorge

2017-06-01

The Caribbean low-level jet (CLLJ) is an important modulator of regional climate, especially precipitation, in the Caribbean and Central America. Previous work has inferred, due to their semiannual cycle, an association between CLLJ strength and meridional sea surface temperature (SST) gradients in the Caribbean Sea, suggesting that the SST gradients may control the intensity and vertical shear of the CLLJ. In addition, both the horizontal and vertical structure of the jet have been related to topographic effects via interaction with the mountains in Northern South America (NSA), including funneling effects and changes in the meridional geopotential gradient. Here we test these hypotheses, using an atmospheric general circulation model to perform a set of sensitivity experiments to examine the impact of both SST gradients and topography on the CLLJ. In one sensitivity experiment, we remove the meridional SST gradient over the Caribbean Sea and in the other, we flatten the mountains over NSA. Our results show that the SST gradient and topography have little or no impact on the jet intensity, vertical, and horizontal wind shears, contrary to previous works. However, our findings do not discount a possible one-way coupling between the SST and the wind over the Caribbean Sea through friction force. We also examined an alternative approach based on barotropic instability to understand the CLLJ intensity, vertical, and horizontal wind shears. Our results show that the current hypothesis about the CLLJ must be reviewed in order to fully understand the atmospheric dynamics governing the Caribbean region.

Standard formation enthalpies of Nasub(2+x)Vsub(6)Osub(16-y) bronze of kappa type

International Nuclear Information System (INIS)

Khodos, M.Ya.; Slobodin, B.V.; Surat, L.L.; Fotiev, A.A.

1980-01-01

Standard formation enthalpies of sodium oxide vanadium bronze of kappa Nasub(2+x)Vsub(6)Osub(16-y) type of different composition have been determined by the method of solution calorimetry. It has been ascertained that within the limits of homogeneity a standard formation enthalpy decreases insignificantly with the increase of bronze oxygen defectiveness and is a linear function of sodium content

Storm-time meridional flows: a comparison of CINDI observations and model results

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M. Hairston

2014-06-01

Full Text Available During a large geomagnetic storm, the electric field from the polar ionosphere can expand far enough to affect the mid-latitude and equatorial electric fields. These changes in the equatorial zonal electric field, called the penetration field, will cause changes in the meridional ion flows that can be observed by radars and spacecraft. In general this E × B ion flow near the equator caused by the penetration field during undershielding conditions will be upward on the dayside and downward on the nightside of the Earth. Previous analysis of the equatorial meridional flows observed by CINDI instrument on the C/NOFS spacecraft during the 26 September 2011 storm showed that all of the response flows on the dayside were excess downward flows instead of the expected upward flows. These observed storm-time responses are compared to a prediction from a physics-based coupled model of thermosphere–ionosphere–inner-magnetosphere in an effort to explain these observations. The model results suggest that the equatorial downward flow could be attributed to a combined effect of the overshielding and disturbance dynamo processes. However, some discrepancy between the model and observation indicates a need for improving our understanding of how sensitive the equatorial electric field is to various model input parameters that describe the magnetosphere–ionosphere coupling processes.

Structure–property relationships in ionic liquids: Influence of branched and cyclic groups on vaporization enthalpies of imidazolium-based ILs

International Nuclear Information System (INIS)

Zaitsau, Dzmitry H.; Varfolomeev, Mikhail A.; Verevkin, Sergey P.; Stanton, Alexander D.; Hindman, Michelle S.; Bara, Jason E.

2016-01-01

Highlights: • Ionic liquids [Rmim][NTf_2] with iso-alkyl and cyclic substituents were synthesized. • Vaporization enthalpies were measured using quartz-crystal microbalance. • Data consistency was tested by comparison with the homomorph compounds. • Vaporization enthalpies of branched ILs are generally on the same level as for linear. • These findings are useful for the quick estimation of vaporization enthalpies. - Abstract: Ionic liquids (ILs) with branched and cyclic substituents are seldom studied in the literature, and as such there are little to no data characterizing their thermophysical properties. ILs with branched and cyclic substituents are just as convenient to synthesize and study as their counterparts with linear substituents, but the effects of these substituents on IL properties are not yet well-defined due to the preference for linear substituents. Standard molar vaporization enthalpies of six imidazolium based ionic liquids [Rmim][NTf_2] with iso-alkyl and cyclic substituents (R = iso-propyl, iso-butyl, sec-butyl, methylcyclopropyl, cyclopentyl and methylcyclohexyl) were derived from quartz-crystal microbalance (QCM) method. Enthalpies of vaporization measured at elevated temperatures have been adjusted to the reference temperature 298 K and tested for consistency by comparison with the homomorphy alkane, alkylbenzenes and alkyl-imidazoles. It was found that vaporization enthalpies of ILs with the iso-alkyl and cyclic groups are generally on the same level within (±2 to 3) kJ · mol"−"1 significantly compared to the analogous ILs with the imidazolium cation substituted with the linear alkyl substituents of the same chain length. These findings are useful for the quick estimation of vaporization enthalpies of various substituted IL cations (e.g. pyrrolidinium, ammonium, pyridinium, etc.).

Geophysical Methods for Monitoring Temperature Changes in Shallow Low Enthalpy Geothermal Systems

Directory of Open Access Journals (Sweden)

Thomas Hermans

2014-08-01

Full Text Available Low enthalpy geothermal systems exploited with ground source heat pumps or groundwater heat pumps present many advantages within the context of sustainable energy use. Designing, monitoring and controlling such systems requires the measurement of spatially distributed temperature fields and the knowledge of the parameters governing groundwater flow (permeability and specific storage and heat transport (thermal conductivity and volumetric thermal capacity. Such data are often scarce or not available. In recent years, the ability of electrical resistivity tomography (ERT, self-potential method (SP and distributed temperature sensing (DTS to monitor spatially and temporally temperature changes in the subsurface has been investigated. We review the recent advances in using these three methods for this type of shallow applications. A special focus is made regarding the petrophysical relationships and on underlying assumptions generally needed for a quantitative interpretation of these geophysical data. We show that those geophysical methods are mature to be used within the context of temperature monitoring and that a combination of them may be the best choice regarding control and validation issues.

A BABCOCK–LEIGHTON SOLAR DYNAMO MODEL WITH MULTI-CELLULAR MERIDIONAL CIRCULATION IN ADVECTION- AND DIFFUSION-DOMINATED REGIMES

Energy Technology Data Exchange (ETDEWEB)

Belucz, Bernadett; Forgács-Dajka, Emese [Eötvös University, Department of Astronomy, 1518 Budapest, Pf. 32 (Hungary); Dikpati, Mausumi, E-mail: bbelucz@astro.elte.hu, E-mail: dikpati@ucar.edu [High Altitude Observatory, National Center for Atmospheric Research, 3080 Center Green, Boulder, CO 80307-3000 (United States)

2015-06-20

Babcock–Leighton type-solar dynamo models with single-celled meridional circulation are successful in reproducing many solar cycle features. Recent observations and theoretical models of meridional circulation do not indicate a single-celled flow pattern. We examine the role of complex multi-cellular circulation patterns in a Babcock–Leighton solar dynamo in advection- and diffusion-dominated regimes. We show from simulations that the presence of a weak, second, high-latitude reverse cell speeds up the cycle and slightly enhances the poleward branch in the butterfly diagram, whereas the presence of a second cell in depth reverses the tilt of the butterfly wing to an antisolar type. A butterfly diagram constructed from the middle of convection zone yields a solar-like pattern, but this may be difficult to realize in the Sun because of magnetic buoyancy effects. Each of the above cases behaves similarly in higher and lower magnetic diffusivity regimes. However, our dynamo with a meridional circulation containing four cells in latitude behaves distinctly differently in the two regimes, producing solar-like butterfly diagrams with fast cycles in the higher diffusivity regime, and complex branches in butterfly diagrams in the lower diffusivity regime. We also find that dynamo solutions for a four-celled pattern, two in radius and two in latitude, prefer to quickly relax to quadrupolar parity if the bottom flow speed is strong enough, of similar order of magnitude as the surface flow speed.

A BABCOCK–LEIGHTON SOLAR DYNAMO MODEL WITH MULTI-CELLULAR MERIDIONAL CIRCULATION IN ADVECTION- AND DIFFUSION-DOMINATED REGIMES

International Nuclear Information System (INIS)

Belucz, Bernadett; Forgács-Dajka, Emese; Dikpati, Mausumi

2015-01-01

Babcock–Leighton type-solar dynamo models with single-celled meridional circulation are successful in reproducing many solar cycle features. Recent observations and theoretical models of meridional circulation do not indicate a single-celled flow pattern. We examine the role of complex multi-cellular circulation patterns in a Babcock–Leighton solar dynamo in advection- and diffusion-dominated regimes. We show from simulations that the presence of a weak, second, high-latitude reverse cell speeds up the cycle and slightly enhances the poleward branch in the butterfly diagram, whereas the presence of a second cell in depth reverses the tilt of the butterfly wing to an antisolar type. A butterfly diagram constructed from the middle of convection zone yields a solar-like pattern, but this may be difficult to realize in the Sun because of magnetic buoyancy effects. Each of the above cases behaves similarly in higher and lower magnetic diffusivity regimes. However, our dynamo with a meridional circulation containing four cells in latitude behaves distinctly differently in the two regimes, producing solar-like butterfly diagrams with fast cycles in the higher diffusivity regime, and complex branches in butterfly diagrams in the lower diffusivity regime. We also find that dynamo solutions for a four-celled pattern, two in radius and two in latitude, prefer to quickly relax to quadrupolar parity if the bottom flow speed is strong enough, of similar order of magnitude as the surface flow speed

Influence of glacial ice sheets on the Atlantic meridional overturning circulation through surface wind change

Science.gov (United States)

Sherriff-Tadano, Sam; Abe-Ouchi, Ayako; Yoshimori, Masakazu; Oka, Akira; Chan, Wing-Le

2018-04-01

Coupled modeling studies have recently shown that the existence of the glacial ice sheets intensifies the Atlantic meridional overturning circulation (AMOC). However, most models show a strong AMOC in their simulations of the Last Glacial Maximum (LGM), which is biased compared to reconstructions that indicate both a weaker and stronger AMOC during the LGM. Therefore, a detailed investigation of the mechanism behind this intensification of the AMOC is important for a better understanding of the glacial climate and the LGM AMOC. Here, various numerical simulations are conducted to focus on the effect of wind changes due to glacial ice sheets on the AMOC and the crucial region where the wind modifies the AMOC. First, from atmospheric general circulation model experiments, the effect of glacial ice sheets on the surface wind is evaluated. Second, from ocean general circulation model experiments, the influence of the wind stress change on the AMOC is evaluated by applying wind stress anomalies regionally or at different magnitudes as a boundary condition. These experiments demonstrate that glacial ice sheets intensify the AMOC through an increase in the wind stress at the North Atlantic mid-latitudes, which is induced by the North American ice sheet. This intensification of the AMOC is caused by the increased oceanic horizontal and vertical transport of salt, while the change in sea ice transport has an opposite, though minor, effect. Experiments further show that the Eurasian ice sheet intensifies the AMOC by directly affecting the deep-water formation in the Norwegian Sea.

Estimating the melting point, entropy of fusion, and enthalpy of ...

Science.gov (United States)

The entropies of fusion, enthalies of fusion, and melting points of organic compounds can be estimated through three models developed using the SPARC (SPARC Performs Automated Reasoning in Chemistry) platform. The entropy of fusion is modeled through a combination of interaction terms and physical descriptors. The enthalpy of fusion is modeled as a function of the entropy of fusion, boiling point, and fexibility of the molecule. The melting point model is the enthlapy of fusion divided by the entropy of fusion. These models were developed in part to improve SPARC's vapor pressure and solubility models. These models have been tested on 904 unique compounds. The entropy model has a RMS of 12.5 J mol-1K-1. The enthalpy model has a RMS of 4.87 kJ mol-1. The melting point model has a RMS of 54.4°C. Published in the journal, SAR and QSAR in Environmental Research

Coupling geophysical investigation with hydrothermal modeling to constrain the enthalpy classification of a potential geothermal resource.

Science.gov (United States)

White, Jeremy T.; Karakhanian, Arkadi; Connor, Chuck; Connor, Laura; Hughes, Joseph D.; Malservisi, Rocco; Wetmore, Paul

2015-01-01

An appreciable challenge in volcanology and geothermal resource development is to understand the relationships between volcanic systems and low-enthalpy geothermal resources. The enthalpy of an undeveloped geothermal resource in the Karckar region of Armenia is investigated by coupling geophysical and hydrothermal modeling. The results of 3-dimensional inversion of gravity data provide key inputs into a hydrothermal circulation model of the system and associated hot springs, which is used to evaluate possible geothermal system configurations. Hydraulic and thermal properties are specified using maximum a priori estimates. Limited constraints provided by temperature data collected from an existing down-gradient borehole indicate that the geothermal system can most likely be classified as low-enthalpy and liquid dominated. We find the heat source for the system is likely cooling quartz monzonite intrusions in the shallow subsurface and that meteoric recharge in the pull-apart basin circulates to depth, rises along basin-bounding faults and discharges at the hot springs. While other combinations of subsurface properties and geothermal system configurations may fit the temperature distribution equally well, we demonstrate that the low-enthalpy system is reasonably explained based largely on interpretation of surface geophysical data and relatively simple models.

On the seasonal variability of the Canary Current and the Atlantic Meridional Overturning Circulation

Science.gov (United States)

Vélez-Belchí, Pedro; Pérez-Hernández, M. Dolores; Casanova-Masjoan, María.; Cana, Luis; Hernández-Guerra, Alonso

2017-06-01

The Atlantic Meridional Overturning Circulation (AMOC) is continually monitored along 26°N by the RAPID-MOCHA array. Measurements from this array show a 6.7 Sv seasonal cycle for the AMOC, with a 5.9 Sv contribution from the upper mid-ocean. Recent studies argue that the dynamics of the eastern Atlantic is the main driver for this seasonal cycle; specifically, Rossby waves excited south of the Canary Islands. Using inverse modeling, hydrographic, mooring, and altimetry data, we describe the seasonal cycle of the ocean mass transport around the Canary Islands and at the eastern boundary, under the influence of the African slope, where eastern component of the RAPID-MOCHA array is situated. We find a seasonal cycle of -4.1 ± 0.5 Sv for the oceanic region of the Canary Current, and +3.7 ± 0.4 Sv at the eastern boundary. This seasonal cycle along the eastern boundary is in agreement with the seasonal cycle of the AMOC that requires the lowest contribution to the transport in the upper mid-ocean to occur in fall. However, we demonstrate that the linear Rossby wave model used previously to explain the seasonal cycle of the AMOC is not robust, since it is extremely sensitive to the choice of the zonal range of the wind stress curl and produces the same results with a Rossby wave speed of zero. We demonstrate that the seasonal cycle of the eastern boundary is due to the recirculation of the Canary Current and to the seasonal cycle of the poleward flow that characterizes the eastern boundaries of the oceans.

Thermophysical properties and oxygen transport in (Thx,Pu1−x)O2

Science.gov (United States)

Galvin, C. O. T.; Cooper, M. W. D.; Rushton, M. J. D.; Grimes, R. W.

2016-01-01

Using Molecular Dynamics, this paper investigates the thermophysical properties and oxygen transport of (Thx,Pu1−x)O2 (0 ≤ x ≤ 1) between 300–3500 K. In particular, the superionic transition is investigated and viewed via the thermal dependence of lattice parameter, linear thermal expansion coefficient, enthalpy and specific heat at constant pressure. Oxygen diffusivity and activation enthalpy are also investigated. Below the superionic temperature an increase of oxygen diffusivity for certain compositions of (Thx,Pu1−x)O2 compared to the pure end members is predicted. Oxygen defect formation enthalpies are also examined, as they underpin the superionic transition temperature and the increase in oxygen diffusivity. The increase in oxygen diffusivity for (Thx,Pu1−x)O2 is explained in terms of lower oxygen defect formation enthalpies for (Thx,Pu1−x)O2 than PuO2 and ThO2, while links are drawn between the superionic transition temperature and oxygen Frenkel disorder. PMID:27796314

A study of the vaporization enthalpies of some 1-substituted imidazoles and pyrazoles by correlation-gas chromatography.

Science.gov (United States)

Lipkind, Dmitry; Plienrasri, Chatchawat; Chickos, James S

2010-12-23

The vaporization enthalpies of 1-methyl-, 1-ethyl-, 1-phenyl-, and 1-benzylimidazole, 1-methyl- and 1-phenylpyrazole, and trans-azobenzene are evaluated by correlation-gas chromatography (C-GC) using a variety of azines and diazines as standards. The vaporization enthalpies obtained by C-GC when compared to literature values are approximately 14 kJ·mol(-1) smaller for the imidazoles and 6 kJ·mol(-1) smaller for the pyrazoles. The literature vaporization enthalpies of 1-methylpyrrole and 1-methylindole, two closely related compounds with one less nitrogen, are reproduced by C-GC. These results suggest that the magnitude of the intermolecular interactions present in 1-substituted imidazoles and pyrazoles are significantly larger than the those present in the reference compounds and greater than or equal in magnitude to the enhanced intermolecular interactions observed previously in aromatic 1,2-diazines. The vaporization enthalpy and vapor pressure of a trans-1,2-diazine, trans-azobenzene, measured by C-GC using similar standards reproduced the literature values within experimental error.

Nine years of mass transport data in the eastern boundary of the North Atlantic Subtropical Gyre

Science.gov (United States)

Fraile-Nuez, Eugenio; MachíN, Francisco; VéLez-Belchí, Pedro; López-Laatzen, Federico; Borges, Rafael; BeníTez-Barrios, Verónica; HernáNdez-Guerra, Alonso

2010-09-01

One of the longest current meter time series in the Lanzarote Passage in the eastern boundary of the North Atlantic Subtropical Gyre has been used to determine and quantify the 9-year mean transport, the inter-annual and seasonal mass transport variability for the three water masses present in the area. Results show North Atlantic Central Water (NACW) flowing southward in the upper levels with a mean mass transport of -0.81 ± 1.48 Sv, Antarctic Intermediate Water (AAIW) flowing northward at intermediate levels with a mean transport of +0.09 ± 0.57 Sv and Mediterranean Water (MW) flowing southward in the deep part of the passage with a mean transport of -0.05 ± 0.17 Sv. Harmonic and wavelet analysis show the presence of a seasonal pattern in the passage for the three water masses. A maximum southward transport in winter and spring has been observed for the NACW followed by a minimum in summer and fall. Near zero values during winter and spring are found for AAIW, with a maximum northward value in summer and a negative value in fall, when this water mass reverses its flow. MW has a similar seasonal pattern to NACW. The vertical structure in the Lanzarote Passage can be approximated by four significant oscillatory modes which cumulatively explain 86.4% of the variance. The strong transport fluctuation found at the seasonal and inter-annual timescales demonstrates that the Eastern Boundary Current transport has a strong impact on meridional overturning estimates, thus indicating that to understand Meridional Overturning Circulation variability, these transport estimates at the eastern Atlantic margin are necessary.

An electrical analogy relating the Atlantic multidecadal oscillation to the Atlantic meridional overturning circulation.

Directory of Open Access Journals (Sweden)

Bruce E Kurtz

Full Text Available The Atlantic meridional overturning circulation (AMOC is the northward flow of surface water to subpolar latitudes where deepwater is formed, balanced by southward abyssal flow and upwelling in the vicinity of the Southern Ocean. It is generally accepted that AMOC flow oscillates with a period of 60-80 years, creating a regular variation in North Atlantic sea surface temperature known as the Atlantic multidecadal oscillation (AMO. This article attempts to answer two questions: how is the AMOC driven and why does it oscillate? Using methods commonly employed by chemical engineers for analyzing processes involving flowing liquids, apparently not previously applied to trying to understand the AMOC, an equation is developed for AMOC flow as a function of the meridional density gradient or the corresponding temperature gradient. The equation is based on the similarity between the AMOC and an industrial thermosyphon loop cooler, which circulates a heat transfer liquid without using a mechanical pump. Extending this equation with an analogy between the flow of heat and electricity explains why the AMOC flow oscillates and what determines its period. Calculated values for AMOC flow and AMO oscillation period are in good agreement with measured values.

Heat Effect of the Protonation of Glycine and the Enthalpies of Resolvation of Participating Chemical Species in Water-Dimethylsulfoxide Solvent Mixtures

Science.gov (United States)

Isaeva, V. A.; Sharnin, V. A.

2018-02-01

Enthalpies of the protonation of glycine in water‒dimethylsulfoxide (DMSO) mixed solvents are determined calorimetrically in the range of DMSO mole fractions of 0.0 to 0.9, at T = 298.15 K and an ionic strength μ = 0.3 (NaClO4). It is established that the protonation of glycine becomes more exothermic with an increasing mole fraction of DMSO, and the enthalpies of resolvation of glycine and glycinium ions in water‒DMSO solvent mixtures are calculated. It is shown that the small changes in the enthalpy of protonation observed at low mole fractions of DMSO are caused by the contributions from the solvation of proton and protonated glycine cancelling each other out. The enthalpy term of the Gibbs energy of the reaction leading to the formation of glycinium ion is estimated along with the enthalpy of resolvation of the reacting species in the water‒DMSO mixed solvent.

The direction of water transport on Mars: A possible pumping mechanism

Science.gov (United States)

James, P. B.

1987-01-01

It is suggested that an atmospheric pumping mechanism might be at work in which water is preferentially transported into the north by a mass outflow wind (due to sublimation from polar cap) that is stronger during southern spring than it is during northern spring. The mechanism is provided by the asymmetric seasonal temperature distribution produced by the eccentric martial orbit and by the associated seasonal asymmetry in the carbon dioxide cycle. The alternating condensation and sublimation of CO2 at the poles produces condensation winds which, in turn, contribute to the meridional transport of water vapor.

The solvent effect on the enthalpy of hydrolysis of cyclic adenosine 3',5'-monophosphate : a quantum chemical study

NARCIS (Netherlands)

Scheffers - Sap, Miek; Buck, H.M.

1978-01-01

The solvent effect on the enthalpy of hydrolysis has been studied by the Extended-Hückel method for the hydrolysis reactions of cyclic adenosine 3',5'-monophosphate (cyclic 3',5'-AMP) and related cyclic phosphate diesters. The results show that the difference in enthalpy of hydrolysis between cyclic

A proposal to investigate higher enthalpy geothermal systems in the USA

Science.gov (United States)

Elders, W. A.

2013-12-01

After more than 50 years of development only ~3,400 MWe of electric power is currently being produced from geothermal resources in the USA. That is only about 0.33% of the country's total installed electrical capacity. In spite of the large demonstrated potential of geothermal resources, only ~2,500 MWe of new geothermal electrical capacity are under development, and the growth rate of this environmentally benign energy resource is overshadowed by the rapid increase in the installed capacity of wind and solar energy. Most of the new geothermal developments in the USA involve relatively small, moderate-temperature, geothermal systems. In contrast, development of higher enthalpy geothermal systems for power production has obvious advantages; specifically higher temperatures yield higher power outputs per well so that fewer wells are needed, leading to smaller environmental footprints for a given size of power plant. Disadvantages include that the fact that locations of suitable geothermal systems are restricted to young volcanic terrains, production of very high enthalpy fluids usually requires drilling deeper wells and may require enhanced geothermal (EGS) technology, and drilling deep into hot hostile environments is technologically challenging. However the potential for very favorable economic returns suggests that the USA should begin developing such a program. One approach to mitigating the cost issue is to form a consortium of industry, government and academia to share the costs and broaden the scope an investigation. An excellent example of such a collaboration is the Iceland Deep Drilling Project (IDDP) which is investigating the economic feasibility of producing electricity from supercritical geothermal reservoirs. This industry-government consortium planned to drill a deep well in the volcanic caldera of Krafla in NE Iceland. However drilling had to be terminated at 2.1 km depth when 900°C rhyolite magma flowed into the well. The resultant well was highly

Excess enthalpies of the ternary mixtures: {tetrahydrofuran + 3-methylpentane + (octane or decane)} at the temperature 298.15 K

International Nuclear Information System (INIS)

Wang Zhaohui; Benson, George C.; Lu, Benjamin C.-Y.

2003-01-01

Measurements of excess molar enthalpies at the temperature 298.15 K in a flow microcalorimeter, are reported for the two ternary mixtures {X 1 C 4 H 8 O + X 2 CH 3 CH 2 CH(CH 3 )CH 2 CH 3 + (1-X 1 -X 2 )CH 3 (CH 2 ) v-2 CH 3 } with v=8 and 10. Smooth representations of the results are described and used to construct constant-enthalpy contours on Roozeboom diagrams. It is shown that useful estimates of the ternary enthalpies can be obtained from the Liebermann-Fried model, using only the physical properties of the components and their binary mixtures

Methanol wetting enthalpy on few-layer graphene decorated hierarchical carbon foam for cooling applications

Energy Technology Data Exchange (ETDEWEB)

Paul, R., E-mail: paul24@purdue.edu [Birck Nanotechnolgy Center, Purdue University, West Lafayette, IN 47907 (United States); Zemlyanov, D. [Birck Nanotechnolgy Center, Purdue University, West Lafayette, IN 47907 (United States); Voevodin, A.A.; Roy, A.K. [Materials and Manufacturing Directorate, Air Force Research Laboratory, WPAFB, OH 45433 (United States); Fisher, T.S. [Birck Nanotechnolgy Center, Purdue University, West Lafayette, IN 47907 (United States); Department of Mechanical Engineering, Purdue University, West Lafayette, IN 47907 (United States)

2014-12-01

Vertical few-layer thick graphene petals are grown on macro-porous carbon foam surfaces having an intrinsic open porosity of 75%. This provides a hierarchical porous structure with a potential for surface adsorption/desorption or wetting/dewetting based thermal energy storage applications. Carbon foams have a combined advantage of large surface area and high thermal conductivity critical for thermal energy storage, but they are prone to oxidation and exhibit low adsorption enthalpies for lightweight hydrocarbons. Here we report graphene petal decoration of carbon foam surfaces and subsequent chemical modification through boron nitride incorporation in hexagonal carbon planes of both carbon foams and graphene petals. This chemically reactive hierarchical structure is characterized with FESEM, Raman, XRD, and XPS measurements. Methanol wetting enthalpy of this three-dimensional hierarchical material was measured with a solution calorimeter, and had shown a six fold increase (from 78 to 522 J/g of foam) as compared to the carbon foam prior to the surface modification. Influences of petal decoration on the surface morphology of carbon foam, BN chemical modification, structure and stoichiometry of the hierarchical material surface, and methanol wetting enthalpy improvement are discussed in detail. The applicability of this hierarchical porous material for thermal energy applications is established. - Highlights: • 500 nm thick few layer graphene petals decoration vertically on macroporous carbon foam surface. • Microwave heating assisted chemical treatment for boron-nitride modification. • Defective petals edges due to boron nitride domain formation. • 20 at. % boron and nitrogen incorporation. • Six fold increase in methanol wetting enthalpy on boron-nitride modification.

Methanol wetting enthalpy on few-layer graphene decorated hierarchical carbon foam for cooling applications

International Nuclear Information System (INIS)

Paul, R.; Zemlyanov, D.; Voevodin, A.A.; Roy, A.K.; Fisher, T.S.

2014-01-01

Vertical few-layer thick graphene petals are grown on macro-porous carbon foam surfaces having an intrinsic open porosity of 75%. This provides a hierarchical porous structure with a potential for surface adsorption/desorption or wetting/dewetting based thermal energy storage applications. Carbon foams have a combined advantage of large surface area and high thermal conductivity critical for thermal energy storage, but they are prone to oxidation and exhibit low adsorption enthalpies for lightweight hydrocarbons. Here we report graphene petal decoration of carbon foam surfaces and subsequent chemical modification through boron nitride incorporation in hexagonal carbon planes of both carbon foams and graphene petals. This chemically reactive hierarchical structure is characterized with FESEM, Raman, XRD, and XPS measurements. Methanol wetting enthalpy of this three-dimensional hierarchical material was measured with a solution calorimeter, and had shown a six fold increase (from 78 to 522 J/g of foam) as compared to the carbon foam prior to the surface modification. Influences of petal decoration on the surface morphology of carbon foam, BN chemical modification, structure and stoichiometry of the hierarchical material surface, and methanol wetting enthalpy improvement are discussed in detail. The applicability of this hierarchical porous material for thermal energy applications is established. - Highlights: • 500 nm thick few layer graphene petals decoration vertically on macroporous carbon foam surface. • Microwave heating assisted chemical treatment for boron-nitride modification. • Defective petals edges due to boron nitride domain formation. • 20 at. % boron and nitrogen incorporation. • Six fold increase in methanol wetting enthalpy on boron-nitride modification

The enthalpies of formation of neutral and charged components of saturated vapor over europium dichloride

International Nuclear Information System (INIS)

Pogrebnoj, A.M.; Kudin, L.S.

2003-01-01

Composition of saturated vapor over europium dichloride was studied by the method of high-temperature mass spectrometry in the temperature range of 1154 - 1267 K. For neutral components of the vapor, represented by monomer and dimer molecules, partial pressures were determined. Enthalpies of sublimation of europium dichloride Δ s H 0 (298 K) as monomers (338 ± 9) and dimers (407 ± 20 kJ/mol) were calculated. Equilibrium constants of ion-molecular and ion-ionic reactions were measured, their enthalpies being ascertained. Enthalpies of formation of molecules and ions Δ f H 0 (298 K) were calculated: -486 ± 11 (EuCl 2 ), -1242 ± 22 (Eu 2 Cl 4 ), 1 ± 12 (Eu 2 Cl 2 + ), -347 ± 20 (Eu 2 Cl 3 + ), -1111 ± 42 (Eu 3 Cl 5 + ), -975 ± 20 (EuCl 3 - ), -1309 ± 17(EuCl 4 - ), -1734 ± 20 (Eu 2 Cl 5 - ) kJ/mol [ru

Solid-State Characterization and Relative Formation Enthalpies To Evaluate Stability of Cocrystals of an Antidiabetic Drug.

Science.gov (United States)

Duggirala, Naga Kiran; Frericks Schmidt, Heather L; Lei, Zhaohui; Zaworotko, Michael J; Krzyzaniak, Joseph F; Arora, Kapildev K

2018-05-07

The current study integrates formation enthalpy and traditional slurry experiments to quickly assess the physical stability of cocrystal drug substance candidates for their potential to support drug development. Cocrystals of an antidiabetic drug (GKA) with nicotinamide (NMA), vanillic acid (VLA), and ethyl vanillin (EVL) were prepared and characterized by powder X-ray diffractometry (PXRD), spectroscopic, and thermal techniques. The formation enthalpies of the cocrystals, and their physical mixtures (GKA + coformer) were measured by the differential scanning calorimetry (DSC) method reported by Zhang et al. [ Cryst. Growth Des. 2012 , 12 ( 8 ), 4090 - 4097 ]. The experimentally measured differences in the relative formation enthalpies obtained by integrating the heat flow of each cocrystal against the respective physical mixture were correlated to the physical stability of the cocrystals in the solid state. The relative formation enthalpies of all of the cocrystals studied suggest that the cocrystals are not physically stable at room temperature versus their physical mixtures. To further address relative stability, the cocrystals were slurried in 30% v/v aqueous ethanol, and it was observed that all of the cocrystals revert to GKA within 48 h at room temperature. The slurry experiments are consistent with the relative instability of the cocrystals with respect to their physical mixtures suggested by the DSC results.

Free Energy, Enthalpy and Entropy from Implicit Solvent End-Point Simulations.

Science.gov (United States)

Fogolari, Federico; Corazza, Alessandra; Esposito, Gennaro

2018-01-01

Free energy is the key quantity to describe the thermodynamics of biological systems. In this perspective we consider the calculation of free energy, enthalpy and entropy from end-point molecular dynamics simulations. Since the enthalpy may be calculated as the ensemble average over equilibrated simulation snapshots the difficulties related to free energy calculation are ultimately related to the calculation of the entropy of the system and in particular of the solvent entropy. In the last two decades implicit solvent models have been used to circumvent the problem and to take into account solvent entropy implicitly in the solvation terms. More recently outstanding advancement in both implicit solvent models and in entropy calculations are making the goal of free energy estimation from end-point simulations more feasible than ever before. We review briefly the basic theory and discuss the advancements in light of practical applications.

Free Energy, Enthalpy and Entropy from Implicit Solvent End-Point Simulations

Directory of Open Access Journals (Sweden)

Federico Fogolari

2018-02-01

Full Text Available Free energy is the key quantity to describe the thermodynamics of biological systems. In this perspective we consider the calculation of free energy, enthalpy and entropy from end-point molecular dynamics simulations. Since the enthalpy may be calculated as the ensemble average over equilibrated simulation snapshots the difficulties related to free energy calculation are ultimately related to the calculation of the entropy of the system and in particular of the solvent entropy. In the last two decades implicit solvent models have been used to circumvent the problem and to take into account solvent entropy implicitly in the solvation terms. More recently outstanding advancement in both implicit solvent models and in entropy calculations are making the goal of free energy estimation from end-point simulations more feasible than ever before. We review briefly the basic theory and discuss the advancements in light of practical applications.

Atmospheric transport of pollution to the Arctic

International Nuclear Information System (INIS)

Iversen, T.

1984-01-01

If the atmospheric processes are assumed to be nearly adiabatic, the conclusion is that the possible source areas of Arctic air pollution detected at ground level have to be situated in areas with almost the same temperature as observed in the Arctic itself. Sources south of the polar front system can only contribute to high-altitude (or upper level) Arctic pollution. The amplitude and phase of long, planetary waves are important since they determine the position of the polar front, and provide conditions for meridional transport of air at certain longitudes

Free-flight measurement technique in the free-piston high-enthalpy shock tunnel

Science.gov (United States)

Tanno, H.; Komuro, T.; Sato, K.; Fujita, K.; Laurence, S. J.

2014-04-01

A novel multi-component force-measurement technique has been developed and implemented at the impulse facility JAXA-HIEST, in which the test model is completely unrestrained during the test and thus experiences free-flight conditions for a period on the order of milliseconds. Advantages over conventional free-flight techniques include the complete absence of aerodynamic interference from a model support system and less variation in model position and attitude during the test itself. A miniature on-board data recorder, which was a key technology for this technique, was also developed in order to acquire and store the measured data. The technique was demonstrated in a HIEST wind-tunnel test campaign in which three-component aerodynamic force measurement was performed on a blunted cone of length 316 mm, total mass 19.75 kg, and moment of inertia 0.152 kgm2. During the test campaign, axial force, normal forces, and pitching moment coefficients were obtained at angles of attack from 14° to 32° under two conditions: H0 = 4 MJ/kg, P0 = 14 MPa; and H0 = 16 MJ/kg, P0 = 16 MPa. For the first, low-enthalpy condition, the test flow was considered a perfect gas; measurements were thus directly compared with those obtained in a conventional blow-down wind tunnel (JAXA-HWT2) to evaluate the accuracy of the technique. The second test condition was a high-enthalpy condition in which 85% of the oxygen molecules were expected to be dissociated; high-temperature real-gas effects were therefore evaluated by comparison with results obtained in perfect-gas conditions. The precision of the present measurements was evaluated through an uncertainty analysis, which showed the aerodynamic coefficients in the HIEST low enthalpy test agreeing well with those of JAXA-HWT2. The pitching-moment coefficient, however, showed significant differences between low- and high-enthalpy tests. These differences are thought to result from high-temperature real-gas effects.

Investigating ultra high-enthalpy geothermal systems: a collaborative initiative to promote scientific opportunities

Science.gov (United States)

Elders, W. A.; Nielson, D.; Schiffman, P.; Schriener, A., Jr.

2014-12-01

Scientists, engineers, and policy makers gathered at a workshop in the San Bernardino Mountains of southern California in October 2013 to discuss the science and technology involved in developing high-enthalpy geothermal fields. A typical high-enthalpy geothermal well between 2000 and 3000 m deep produces a mixture of hot water and steam at 200-300 °C that can be used to generate about 5-10 MWe of electric power. The theme of the workshop was to explore the feasibility and economic potential of increasing the power output of geothermal wells by an order of magnitude by drilling deeper to reach much higher pressures and temperatures. Development of higher enthalpy geothermal systems for power production has obvious advantages; specifically higher temperatures yield higher power outputs per well so that fewer wells are needed, leading to smaller environmental footprints for a given size of power plant. Plans for resource assessment and drilling in such higher enthalpy areas are already underway in Iceland, New Zealand, and Japan. There is considerable potential for similar developments in other countries that already have a large production of electricity from geothermal steam, such as Mexico, the Philippines, Indonesia, Italy, and the USA. However drilling deeper involves technical and economic challenges. One approach to mitigating the cost issue is to form a consortium of industry, government and academia to share the costs and broaden the scope of investigation. An excellent example of such collaboration is the Iceland Deep Drilling Project (IDDP), which is investigating the economic feasibility of producing electricity from supercritical geothermal reservoirs, and this approach could serve as model for future developments elsewhere. A planning committee was formed to explore creating a similar initiative in the USA.

Polycyclic aromatic hydrocarbons - fate and long-range atmospheric transport studied using a global model, EMAC-SVOC

Science.gov (United States)

Octaviani, Mega; Tost, Holger; Lammel, Gerhard

2017-04-01

Polycyclic aromatic hydrocarbons (PAHs) are emitted by incomplete combustion from fossil fuel, vehicles, and biomass burning. They may persist in environmental compartments, pose a health hazard and may bio accumulate along food chains. The ECHAM/MESSy Atmospheric Chemistry (EMAC) model had been used to simulate global tropospheric, stratospheric chemistry and climate. In this study, we improve the model to include simulations of the transport and fate of semi-volatile organic compounds (SVOC). The EMAC-SVOC model takes into account essential environmental processes including gas-particle partitioning, dry and wet deposition, chemical and bio-degradation, and volatilization from sea surface, soils, vegetation, and snow. The model was evaluated against observational data in the Arctic, mid-latitudes, and tropics, and further applied to study total environmental lifetime and long-range transport potential (LRTP) of PAHs. We selected four compounds for study, spanning a wide range of volatility, i.e., phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene. Several LRTP indicators were investigated, including the Arctic contamination potential, meridional spreading, and zonal and meridional fluxes to remote regions.

Links Between the Deep Western Boundary Current, Labrador Sea Water Formation and Export, and the Meridional Overturning Circulation

Science.gov (United States)

Myers, Paul G.; Kulan, Nilgun

2010-05-01

Based on an isopyncal analysis of historical data, 3-year overlapping triad fields of objectively analysed temperature and salinity are produced for the Labrador Sea, covering 1949-1999. These fields are then used to spectrally nudge an eddy-permitting ocean general circulation model of the sub-polar gyre, otherwise forced by inter annually varying surface forcing based upon the Coordinated Ocean Reference Experiment (CORE). High frequency output from the reanalysis is used to examine Labrador Sea Water formation and its export. A number of different apprpoaches are used to estimate Labrador Sea Water formation, including an instanteous kinematic approach to calculate the annual rate of water mass subduction at a given density range. Historical transports are computed along sections at 53 and 56N for several different water masses for comparison with recent observations, showing a decline in the stength of the deep western boundary current with time. The variability of the strength of the meridional overturning circulation (MOC) from the reanalysis is also examined in both depth and density space. Linkages between MOC variability and water mass formation variability is considered.

The enthalpies of formation of alkyl carbamates: Experimental and computational redetermination

International Nuclear Information System (INIS)

Santos, Ana Filipa L.O.M.; Ribeiro da Silva, Manuel A.V.

2013-01-01

Highlights: ► Combustion calorimetry was used to redetermine Δ f H m o (cr) of methyl and ethyl carbamates. ► Δ cr g H m o of methyl and ethyl carbamates were redetermined by Calvet Microcalorimetry. ► Gas-phase Δ f H m o of the studied compounds have been derived from the experimental values of Δ f H m o (cr) and Δ cr g H m o . ► Gas-phase Δ f H m o of the studied compounds have been calculated by computational thermochemistry. ► The obtained Δ f H m o (g) for the alkylcarbamates are discussed versus literature values for the same compounds. - Abstract: In the present work, a redetermination of thermochemical data of methyl carbamate and ethyl carbamate was performed by both experimental and computational techniques. Their gas-phase standard (p o = 0.1 MPa) molar enthalpies of formation, Δ f H m o (g), at T = 298.15 K, were derived from the standard molar enthalpies of formation, in the crystalline phase, Δ f H m o (cr), and from the standard molar enthalpies of sublimation, Δ cr g H m o at T = 298.15 K, measured, respectively, by static bomb combustion calorimetry and high temperature Calvet microcalorimetry. The experimental results were compared with computational data, calculated at the G3(MP2)//B3LYP level, as well as with values reported in the literature. At the B3LYP/6-31G(d) level of theory, the molecular structure of both carbamates was obtained.

The enthalpy of solid scandium in the temperature range 406 - 1812 K

International Nuclear Information System (INIS)

Lyapunov, K.M.; Baginskij, A.V.; Stankus, S.V.

2001-01-01

Enthalpy of pure scandium was measured on massive calorimeter in the range from 406 to 1812 K by mixing method. The enthalpy of face centered close cubic lattice - body centered cubic lattice transformation is equal to ΔH t 4068 J/mol. Obtained value within the limits of error is compatible with the results given earlier (4009 J/mol). The dependence of the middle specific heat of scandium C p (T) on the temperature was shown in correlation with the results of other works. The results of the conducted experiments reinforce the conclusion made earlier about an absence (or a little) in the decomposition of an anharmonic component of the oscillation specific heat of scandium C p a (T) members proportional to the first or the second degrees of temperature [ru

Evaluation of enthalpy of interfacial reactions from temperature dependency of interfacial equilibrium

International Nuclear Information System (INIS)

Kallay, Nikola; Cop, Ana

2005-01-01

Temperature dependency of equilibrium at metal oxide-aqueous electrolyte solution interface was analyzed by numerical simulation. Derivations of inner surface potential with respect to temperature were performed at constant values of several different parameters. When surface charge density in inner plane was kept constant the reasonable results were obtained, i.e. the electrostatic contribution to enthalpy of protonation of amphotheric surface sites was found to be positive in the pH region below the point of zero potential and negative above this point. All other examined possibilities produced opposite results. Derivation of empirical interfacial equilibrium constant at constant surface potential indicated that electrostatic effect on protonation entropy is negligible and that electrostatic contributions to reaction Gibbs energy and enthalpy are equal and directly related to the surface potential in the inner plane

Isotope effect in enthalpy of solvation of the lithium ion

International Nuclear Information System (INIS)

Krestov, G.A.; Egorov, G.I.; Korolev, V.P.

1989-01-01

At 298.15 K, the authors determined the standard enthalpies of solution for 6 LiCl and 7 LiCl in water, heavy water, dimethylsulfoxide (DMSO) and aqueous solutions of DMSO. The authors have established that solvation of 6 Li + is differentiated in water and DMSO to a greater degree than for 7 Li +

Oxidation potentials, Gibbs energies, enthalpies and entropies of actinide ions in aqueous solutions

International Nuclear Information System (INIS)

1977-01-01

The values of the Gibbs energy, enthalpy, and entropy of different actinide ions, thermodynamic characteristics of the processes of hydration of these ions, and the presently known ionization potentials of actinides are given. The enthalpy and entropy components of the oxidation potentials of actinide elements are considered. The curves of the dependence of the Gibbs energy of ion formation on the atomic number of the element and the Frost diagrams are analyzed. The diagram proposed by Frost represents the graphical dependence of the Gibbs energy of hydrated ions on the degree of oxidation of the element. Using the Frost diagram it is easy to establish whether a given ion is stable to disproportioning

The interaction of horizontal eddy transport and thermal drive in the stratosphere

Science.gov (United States)

Salby, Murry L.; O'Sullivan, Donal; Callaghan, Patrick; Garcia, Rolando R.

1990-01-01

The two processes that determine the average state of the circulation; i.e., horizontal eddy transport and thermal dissipation, are examined, and the effects of their interaction on circulation and on tracer distribution in the stratosphere are investigated using barotropic calculations on the sphere. It is shown that eddy advection tends to homogenize the meridional gradient Q at low latitudes, while thermal dissipation restores the gradient after episodes of mixing.

Diluent and extractant effects on the enthalpy of extraction of uranium(VI) and americium(III) nitrates by trialkyl phosphates

International Nuclear Information System (INIS)

Srinivasan, T.G.; Vasudeva Rao, P.R.; Sood, D.D.

1998-01-01

The effect of various diluents such as n-hexane, n-heptane n-octane, isooctane, n-decane, n-undecane, n-dodecane, n-tetradecane, n-hexadecane, cyclohexane, benzene, toluene, p-xylene, mesitylene and o-dichlorobenzene on the enthalpy of extraction of uranyl nitrate by tri-n-amyl phosphate (TAP) over the temperature range 283 K--333 K has been studied. The results indicate that the enthalpy of extraction does not vary significantly with the diluents studied. Also enthalpies of extraction of uranyl nitrate and americium(III) nitrate by neutral organo phosphorous extractants such as tri-n-butyl phosphate (TBP), tri-n-amyl phosphate (TAP), tri-sec-butyl phosphate (TsBP), tri-isoamyl phosphate (TiAP) and tri-n-hexyl phosphate (THP) have been studied. An attempt has been made to explain the trends, on the basis of the nature of the solvate formed and the different terms which contribute to the overall enthalpy change

Accelerated sea level rise and Florida Current transport

Directory of Open Access Journals (Sweden)

J. Park

2015-07-01

Full Text Available The Florida Current is the headwater of the Gulf Stream and is a component of the North Atlantic western boundary current from which a geostrophic balance between sea surface height and mass transport directly influence coastal sea levels along the Florida Straits. A linear regression of daily Florida Current transport estimates does not find a significant change in transport over the last decade; however, a nonlinear trend extracted from empirical mode decomposition (EMD suggests a 3 Sv decline in mean transport. This decline is consistent with observed tide gauge records in Florida Bay and the straits exhibiting an acceleration of mean sea level (MSL rise over the decade. It is not known whether this recent change represents natural variability or the onset of the anticipated secular decline in Atlantic meridional overturning circulation (AMOC; nonetheless, such changes have direct impacts on the sensitive ecological systems of the Everglades as well as the climate of western Europe and eastern North America.

Enthalpies of potassium iodide dissolution in dimethyl acetamide mixtures with water

International Nuclear Information System (INIS)

Privalova, N.M.; Gritsenko, S.I.; Vorob'ev, A.F.

1986-01-01

Enthalpies of potassium iodide dissolution in mixed dimethyl acetamide - water solvent at 298.15 K in the whole range of dimethyl acetamide compositions are measured by the calorimetric method. From the plots of KI dissolution enthalpy dependence and dependence of experimental ΔH p∞ 0 value deviations from calculational ones on solvent composition, as well as from the results of calculation of solvate shell composition of potassium iodide ions in the mixed solvent, it is obvious that in the region of 0-15 mol% concentrations of dimethyl acetamide insufficient enrichment of solvate ion shells by dimethyl acetamide (DMAA) occurs, in the region of 15-40 mol% DMAA compositions enrichment of solvate shells of ions by water occurs, in the region of 40-100 mol% DMAA enrichment of solvate ion shells by the organic component in comparison with mixture compostion occurs. Maximum enrichment of solvate ion shells by mixture components in three above mentioned regions of the mixed solvent occurs at 10, 30 and 80 mol% DMAA concentrations

The role of salinity in the decadal variability of the North Atlantic meridional overturning circulation

Energy Technology Data Exchange (ETDEWEB)

Frankignoul, Claude [Universite Pierre et Marie Curie, Paris 6, LOCEAN/IPSL, Paris Cedex 05 (France); Deshayes, Julie; Curry, Ruth [Woods Hole Oceanographic Institution, Woods Hole, MA (United States)

2009-11-15

An OGCM hindcast is used to investigate the linkages between North Atlantic Ocean salinity and circulation changes during 1963-2003. The focus is on the eastern subpolar region consisting of the Irminger Sea and the eastern North Atlantic where a careful assessment shows that the simulated interannual to decadal salinity changes in the upper 1,500 m reproduce well those derived from the available record of hydrographic measurements. In the model, the variability of the Atlantic meridional overturning circulation (MOC) is primarily driven by changes in deep water formation taking place in the Irminger Sea and, to a lesser extent, the Labrador Sea. Both are strongly influenced by the North Atlantic Oscillation (NAO). The modeled interannual to decadal salinity changes in the subpolar basins are mostly controlled by circulation-driven anomalies of freshwater flux convergence, although surface salinity restoring to climatology and other boundary fluxes each account for approximately 25% of the variance. The NAO plays an important role: a positive NAO phase is associated with increased precipitation, reduced northward salt transport by the wind-driven intergyre gyre, and increased southward flows of freshwater across the Greenland-Scotland ridge. Since the NAO largely controlled deep convection in the subpolar gyre, fresher waters are found near the sinking region during convective events. This markedly differs from the active influence on the MOC that salinity exerts at decadal and longer timescales in most coupled models. The intensification of the MOC that follows a positive NAO phase by about 2 years does not lead to an increase in the northward salt transport into the subpolar domain at low frequencies because it is cancelled by the concomitant intensification of the subpolar gyre which shifts the subpolar front eastward and reduces the northward salt transport by the North Atlantic Current waters. This differs again from most coupled models, where the gyre

Meridional distribution and seasonal variation of stable oxygen isotope ratio of precipitation in the Southern Ocean

Directory of Open Access Journals (Sweden)

Kayo Nakamura

2010-07-01

Full Text Available The stable oxygen isotope ratio(δ^O in precipitation is known to have important meridional and seasonal variations, but there are almost no measurements of δ^O in precipitation over polar oceans. The present research took advantage of 4 opportunities for in situ observations in summer and winter at high latitudes in the Southern Ocean. In addition, we analyzed samples of precipitation at Syowa Station in 2008 to obtain year-round data. Based on these data, we consider the meridional and seasonal variations of δ^O in precipitation over the Southern Ocean. In general, δ^O decreases with increasing latitude, and is lower in winter than in summer. The latitude gradient is stronger in winter. At 60°S, δ^O is -5.4‰ and -11.3‰ in summer and winter, respectively, while the corresponding figures at 66°S are -10.5‰ and -20.8‰. These results will help us understand the mechanisms of the salinity distribution and its variation in the Antarctic Ocean.

SGC method for predicting the standard enthalpy of formation of pure compounds from their molecular structures

International Nuclear Information System (INIS)

Albahri, Tareq A.; Aljasmi, Abdulla F.

2013-01-01

Highlights: • ΔH° f is predicted from the molecular structure of the compounds alone. • ANN-SGC model predicts ΔH° f with a correlation coefficient of 0.99. • ANN-MNLR model predicts ΔH° f with a correlation coefficient of 0.90. • Better definition of the atom-type molecular groups is presented. • The method is better than others in terms of combined simplicity, accuracy and generality. - Abstract: A theoretical method for predicting the standard enthalpy of formation of pure compounds from various chemical families is presented. Back propagation artificial neural networks were used to investigate several structural group contribution (SGC) methods available in literature. The networks were used to probe the structural groups that have significant contribution to the overall enthalpy of formation property of pure compounds and arrive at the set of groups that can best represent the enthalpy of formation for about 584 substances. The 51 atom-type structural groups listed provide better definitions of group contributions than others in the literature. The proposed method can predict the standard enthalpy of formation of pure compounds with an AAD of 11.38 kJ/mol and a correlation coefficient of 0.9934 from only their molecular structure. The results are further compared with those of the traditional SGC method based on MNLR as well as other methods in the literature

Accurate Gas Phase Formation Enthalpies of Alloys and Refractories Decomposition Products

KAUST Repository

Minenkov, Yury; Sliznev, Valery V.; Cavallo, Luigi

2017-01-01

predicted the ΔHf values of a series of these compounds having a group 4, 6, or 14 metal. The ΔHf values in question were derived within a composite Feller-Dixon-Peterson (FDP) scheme based protocol that combines the DLPNO-CCSD(T) enthalpy of ad hoc designed

Electrical resistivities and solvation enthalpies for solutions of salts in liquid alkali metals

International Nuclear Information System (INIS)

Hubberstey, P.; Dadd, A.T.

1982-01-01

An empirical correlation is shown to exist between the resistivity coefficients drho/dc for solutes in liquid alkali metals and the corresponding solvation enthalpies Usub(solvn) of the neutral gaseous solute species. Qualitative arguments based on an electrostatic solvation model in which the negative solute atom is surrounded by a solvation sphere of positive solvent ion cores are used to show that both parameters are dependent on the charge density of the solute atom and hence on the extent of charge transfer from solvent to solute. Thus as the charge density of the solute increases, the solvation enthalpy increases regularly and the resistivity coefficients pass through a maximum to give the observed approximately parabolic drho/dc versus Usub(solvn) relationship. (Auth.)

Enthalpy-Entropy Compensation in the Binding of Modulators at Ionotropic Glutamate Receptor GluA2

DEFF Research Database (Denmark)

Krintel, Christian; Francotte, Pierre; Pickering, Darryl S

2016-01-01

of 5 was examined with x-ray crystallography, showing that the only change compared to that of earlier compounds was the orientation of Ser-497 pointing toward the hydroxyl group of 5. The favorable enthalpy can be explained by the formation of a hydrogen bond from the side-chain hydroxyl group of Ser...... of modulators BPAM97 (2) and BPAM344 (3) into a hydroxyl group (BPAM557 (4) and BPAM521 (5), respectively), leads to a more favorable binding enthalpy (ΔH, kcal/mol) from −4.9 (2) and −7.5 (3) to −6.2 (4) and −14.5 (5), but also a less favorable binding entropy (−TΔS, kcal/mol) from −2.3 (2) and −1.3 (3) to −0......-497 to the hydroxyl group of 5, whereas the unfavorable entropy might be due to desolvation effects combined with a conformational restriction of Ser-497 and 5. In summary, this study shows a remarkable example of enthalpy-entropy compensation in drug development accompanied with a likely explanation...

The intermetallic ThRh5: microstructure and enthalpy increments

International Nuclear Information System (INIS)

Banerjee, Aparna; Joshi, A.R.; Kaity, Santu; Mishra, R.; Roy, S.B.

2013-01-01

Actinide intermetallics are one of the most interesting and important series of compounds. Thermochemistry of these compounds play significant role in understand the nature of bonding in alloys and nuclear fuel performance. In the present paper we report synthesis and characterization of thorium based intermetallic compound ThRh 5 (s) by SEM/EDX technique. The mechanical properties and enthalpy increment as a function of temperature of the alloy has been measured. (author)

Problem-based learning in teaching chemistry: enthalpy changes in systems

Science.gov (United States)

Ayyildiz, Yildizay; Tarhan, Leman

2018-01-01

Problem-based learning (PBL) as a teaching strategy has recently become quite widespread in especially chemistry classes. Research has found that students, from elementary through college, have many alternative conceptions regarding enthalpy changes in systems. Although there are several studies focused on identifying student alternative conceptions and misunderstandings of this subject, studies on preventing the formation of these alternative conceptions are limited.

Combustion energies and standard molar enthalpies of formation for the complexes of the first-row transitional metal chlorides with L-α-histidine

Institute of Scientific and Technical Information of China (English)

无

2003-01-01

Seven novel solid complexes of the first-row transitional metal with L-α-histidine were synthesized, and their compositions were determined. The constant-volume combustion energies of the complexes were measured by a precision rotation bomb calorimeter. The standard molar enthalpies of combustion and the standard molar enthalpies of formation were calculated. The results indicated thatthe plots of the standard enthalpies of formation against the atomic number of the metal show a regularity of zigzag.

Investigation of variation of additional enthalpy of proteins with respect to pH by statistical mechanical methods

International Nuclear Information System (INIS)

Oylumoglu, G.

2005-01-01

In this study variation of additional enthalpy with respect to pH has been investigated by the statistical mechanical methods.. To bring up the additional effect, the partition function of the proteins are calculated by single protein molecule approximation. From the partition function, free energies of the proteins are obtained and by this way additional free energy has been used in the calculation of the terms in the thermodynamical quantity. Additional enthalpy H D has been obtained by taking effective electric field E and constant dipole moment M as thermodynamical variables and using Maxwell Equations. In the presented semi phenomenological theory, necessary data are taken from the experimental study of P.L. Privalov. The variation in the additional enthalpy H D has been investigated in the pH interval of 1-5 and the results of the calculations are discussed for Lysozyme

Calorimetric determination of the enthalpy of 1-butyl-3-methylimidazolium bromide synthesis: a key quantity in thermodynamics of ionic liquids.

Science.gov (United States)

Paulechka, Yauheni U; Kabo, Andrey G; Blokhin, Andrey V

2009-11-05

The enthalpy of the 1-butyl-3-methylimidazolium bromide [C(4)mim]Br ionic liquid synthesis reaction 1-methylimidazole (liq) + 1-bromobutane (liq) --> [C(4)mim]Br (liq) was determined in a homemade small-volume isoperibol calorimeter to be Delta(r)H degrees (298) = -87.7 +/- 1.6 kJ x mol(-1). The activation energy for this reaction in a homogeneous system E(A) = 73 +/- 4 kJ x mol(-1) was found from the results of calorimetric measurements. The formation enthalpies for the crystalline and liquid [C(4)mim]Br were determined from the calorimetric data: Delta(f)H degrees (298)(cr) = -178 +/- 5 kJ x mol(-1) and Delta(f)H degrees (298)(liq) = -158 +/- 5 kJ x mol(-1). The ideal-gas formation enthalpy of this compound Delta(f)H degrees (298)(g) = 16 +/- 7 kJ x mol(-1) was calculated using the methods of quantum chemistry and statistical thermodynamics. The vaporization enthalpy of [C(4)mim]Br, Delta(vap)H degrees (298) = 174 +/- 9 kJ x mol(-1), was estimated from the experimental and calculated formation enthalpies. It was demonstrated that vapor pressure of this ionic liquid cannot be experimentally determined.

Effect of the initial stage of annealing on modeling of enthalpy relaxation in a hyperquenched glass

DEFF Research Database (Denmark)

Zhang, Yanfei; Guo, Xiaoju; Yue, Yuanzheng

2013-01-01

One of the major challenges in glass relaxation study is to establish a universal model describing the enthalpy relaxation in both the hyperquenched glass (HQG) (i.e., far from equilibrium) and the partially annealed hyperquenched glass(AHQG). In particular, the detailed features of the enthalpy ...... proposed composite relaxation function [L. Hornboell, et al., Chem. Phys. Lett. 1-3 (2010) 37] is a reasonable approach for describing those features. In addition, our modeling results imply that the structural heterogeneity plays a crucial role in relaxation of HQG....

Excess molar enthalpies of binary systems containing 2-octanone, hexanoic acid, or octanoic acid at T = 298.15 K

International Nuclear Information System (INIS)

Liao, Wei-Chen; Lin, Ho-mu; Lee, Ming-Jer

2012-01-01

Highlights: → An isothermal titration calorimeter was used for enthalpy data measurement. → The investigated binary systems contain 2-octanone, hexanoic acid, or octanoic acid. → The excess enthalpies are all positive except for mixtures containing DMSO and DMF. → The Peng-Robinson equation with two parameters yielded the best representation. - Abstract: An isothermal titration calorimeter was used to measure the excess molar enthalpies (H E ) of six binary systems at T = 298.15 K under atmospheric pressure. The systems investigated include (1-hexanol + 2-octanone), (1-octanol + 2-octanone), (1-hexanol + octanoic acid), (1-hexanol + hexanoic acid), {N,N-dimethylformamide (DMF) + hexanoic acid}, and {dimethyl sulfoxide (DMSO) + hexanoic acid}. The values of excess molar enthalpies are all positive except for the DMSO- and the DMF-containing systems. In the 1-hexanol with hexanoic acid or octanoic acid systems, the maximum values of H E are located around the mole fraction of 0.4 of 1-hexanol, but the H E vary nearly symmetrically with composition for other four systems. In addition to the modified Redlich-Kister and the NRTL models, the Peng-Robinson (PR) and the Patel-Teja (PT) equations of state were used to correlate the excess molar enthalpy data. The modified Redlich-Kister equation correlates the H E data to within about experimental uncertainty. The calculated results from the PR and the PT are comparable. It is indicated that the overall average absolute relative deviations (AARD) of the excess enthalpy calculations are reduced from 18.8% and 18.8% to 6.6% and 7.0%, respectively, as the second adjustable binary interaction parameter, k bij , is added in the PR and the PT equations. Also, the NRTL model correlates the H E data to an overall AARD of 10.8% by using two adjustable model parameters.

Numerical simulation of nonequilibrium flow in high-enthalpy shock tunnel

Energy Technology Data Exchange (ETDEWEB)

Kaneko, M.; Men' shov, I.; Nakamura, Y

2005-03-01

The flow field of a nozzle starting process with thermal and chemical nonequilibrium has been simulated. This flow is produced in high enthalpy impulse facilities such as the free piston shock tunnel. The governing equations are the axisymmetric, compressible Navier-Stokes equations. In this study, Park's two-temperature model, where air consists of five species, is used for defining the thermodynamic properties of air as a driven gas. The numerical scheme employed here is the hybrid scheme of the explicit and implicit methods, which was developed in our laboratory, along with AUSM{sup +} to evaluate inviscid fluxes. In the present simulation, the Mach number of an incident shock wave is set at M{sub s}=10.0. It corresponds to a specific enthalpy, h{sub 0}, of 12 MJ/kg. The results clearly show the complicated thermal and chemical nonequilibrium flow field around the end of the shock tube section and at the nozzle inlet during the initial stage of the nozzle starting process. They also suggest that the phenomenon of nozzle melting might be associated with a flow separation at the nozzle inlet.

Melting point gram-atomic volumes and enthalpies of atomization for liquid elements

International Nuclear Information System (INIS)

Lamoreaux, R.H.

1976-01-01

Values of the gram-atomic volumes and enthalpies of atomization to the monatomic ideal gas state for liquid elements at their melting points are collected to facilitate predictions of the behavior of mixed systems. Estimated values are given for experimentally undetermined quantities

Corollary from the Exact Expression for Enthalpy of Vaporization

OpenAIRE

A. A. Sobko

2011-01-01

A problem on determining effective volumes for atoms and molecules becomes actual due to rapidly developing nanotechnologies. In the present study an exact expression for enthalpy of vaporization is obtained, from which an exact expression is derived for effective volumes of atoms and molecules, and under certain assumptions on the form of an atom (molecule) it is possible to find their linear dimensions. The accuracy is only determined by the accuracy of measurements of thermodynamic paramet...

The vaporization enthalpy and vapor pressure of S (+)-methamphetamine at T = 298.15 K by correlation gas chromatography

International Nuclear Information System (INIS)

Thornton, Melissa; Gobble, Chase; Chickos, James

2014-01-01

Highlights: • The vaporization enthalpy of (d)-methamphetamine was measured. • The vapor pressure of (d)-methamphetamine as a function of temperature was evaluated. • The vapor pressure of 4-benzylpiperidine as a function of temperature was evaluated. - Abstract: The vaporization enthalpy and vapor pressure of S (+)-methamphetamine is evaluated by correlation-gas chromatography. A vaporization enthalpy of (58.7 ± 4.3) kJ · mol −1 and a vapor pressure, p = (38 ± 9) Pa has been obtained using a variety of secondary aliphatic amines as standards. In addition, equations describing the vapor pressure temperature dependence are provided for standards and S (+)-methamphetamine covering the temperature range from T = 298.15 K to the boiling temperature. Boiling temperatures are reproduced within an interval of 8 K or less

Vapor pressure and enthalpy of vaporization of oil of catnip by correlation gas chromatography

International Nuclear Information System (INIS)

Simmons, Daniel; Gobble, Chase; Chickos, James

2016-01-01

Highlights: • Vaporization enthalpies of the nepetalactones from oil of catnip have been evaluated. • Vapor pressures from T = (298.15 to 350) K have been evaluated. • Oil of catnip has a vapor pressure similar to DEET at T = 298.15 K. - Abstract: The vaporization enthalpy and vapor pressure of the two nepetalactones found in Nepeta cataria have been evaluated by correlation gas chromatography. Vaporization enthalpies at T = 298.15 K of {(68.0 ± 1.9) and (69.4 ± 1.9)} kJ ⋅ mol"−"1 have been derived for the minor diastereomer, (4aS,7S,7aS)-nepetalactone, and major one, (4aS,7S,7aR)-nepetalactone, respectively. Vapor pressures also at T = 298.15 K of p = (1.2 ± 0.04) Pa and (0.91 ± 0.03) Pa have been evaluated for the minor and the major stereoisomer. In addition to being of interest because of the remarkable effect it has on various felids, oil of catnip is also quite effective in repelling mosquitoes, comparable to diethyl-m-toluamide (DEET). The vapor pressures evaluated in this work suggest that the two stereoisomers have similar volatility to DEET at ambient temperatures.

Axisymmetric vibrations of thick shells of revolution having meridionally varying curvature

International Nuclear Information System (INIS)

Suzuki, Katsuyoshi; Kosawada, Tadashi; Takahashi, Shin; Takahashi, Fumiaki.

1987-01-01

An exact method using power series expansions is presented for solving axisymmetric free vibration problems for thick shells of revolution having meridionally varying curvature. Based on the improved thick shell theory, the Lagrangian of the shells of revolution are obtained, and the equations of motion and the boundary conditions are derived from the stationary condition of the Lagrangian. The method is applied to thick shells of revolution having their generating curves of ellipse, cycloid, parabola, catenary and hyperbola. The results by the present method are compared with those by the thin shell theory and the effects of rotatory inertia and shear deformation upon the natural frequencies and the mode shapes are clarified. (author)

Solution enthalpy of potassium iodide in furfural and its mixtures with dimethylsulfoxide

International Nuclear Information System (INIS)

Vlasenko, K.K.; Belov, A.A.; Vorob'ev, A.F.

1986-01-01

Solution enthalpy of potassium iodide in furfural-dimethylsulfoxide mixtures at 298.15 K and furfural concentration 17.3-100% are determined experimentally. K + and I - ion solvate shell composition, which in the general case doesn't correspond to the mixed solvent composition, is calculated

The vaporization enthalpies and vapor pressures of fatty acid methyl esters C18, C21 to C23, and C25 to C29 by correlation - gas chromatography

International Nuclear Information System (INIS)

Chickos, James S.; Zhao Hui; Nichols, Gary

2004-01-01

Vapor pressures and vaporization enthalpies for methyl heptadecanoate and methyl heneicosanoate to methyl octacosanoate exclusive of methyl tricosanoate are evaluated as a function of temperature over the temperature range T = 298.15-450 K by correlation gas chromatography. The results are generated by an extrapolative process using literature values for methyl tetradecanoate to methyl eicosanoate as standards. Relationships for calculating vapor pressures of the title compounds from T = 298.15 to 450 K are provided. Experimental fusion enthalpies are also reported for the methyl esters from methyl hexadecanoate to methyl octacosanoate excluding methyl tridecanoate. Vaporization enthalpies and fusion enthalpies adjusted for temperature to T = 298.15 K are combined to provide sublimation enthalpies. The results are compared to available literature values. A rationale for the linear relationship observed between enthalpies of vaporization and enthalpies of transfer from solution to the vapor is also provided

Estimation of formation enthalpies of vanadates by Born-Gaber cycle method

International Nuclear Information System (INIS)

Golovkin, B.G.

1993-01-01

Principle possibility of calculating Gibbs energy of ionic compound formation as a function of thermochemical radii of component ions of temperature and pressure is shown. Formula for determination of thermochemical radii of polyatomic ions is suggested. Enthalpies of formation of 81 vanadates were estimated with the use of Kapustinsky equation and Born-Gaber cycle

Enthalpy of mixing and heat of vaporization of ethyl acetate with benzene and toluene at 298.15 k and 308.15 k

OpenAIRE

K. L. Shivabasappa; P. Nirguna Babu; Y. Jagannadha Rao

2008-01-01

The present work was carried out in two phases. First, enthalpy of mixing was measured and then the heat of vaporization for the same mixtures was obtained. The data are useful in the design of separation equipments. From the various designs available for the experimental determination of enthalpy of mixing, and heat of vaporization, the apparatus was selected, modified and constructed. The apparatus of enthalpy of mixing was tested with a known system Benzene - i-Butyl Alcohol and the data o...

Changes in extreme regional sea surface height due to an abrupt weakening of the Atlantic meridional overturning circulation

NARCIS (Netherlands)

Brunnabend, S.-E.; Dijkstra, H. A.; Kliphuis, M. A.; van Werkhoven, B.J.C.; Bal, H. E.; Seinstra, F.; Maassen, J.; van Meersbergen, M.

2014-01-01

As an extreme scenario of dynamical sea level changes, regional sea surface height (SSH) changes that occur in the North Atlantic due to an abrupt weakening of the Atlantic meridional overturning circulation (AMOC) are simulated. Two versions of the same ocean-only model are used to study the effect

Enthalpies of proton adsorption onto Bacillus licheniformis at 25, 37, 50, and 75 °C

Science.gov (United States)

Gorman-Lewis, Drew

2011-03-01

Understanding bacterial surface reactivity requires many different lines of investigation. Toward this end, we used isothermal titration calorimetry to measure heats of proton adsorption onto a Gram positive thermophile Bacillus licheniformis at 25, 37, 50, and 75 °C. Proton adsorption under all conditions exhibited exothermic heat production. Below pH 4.5, exothermic heats decreased as temperature increased above 37 °C; above pH 4.5, there was no significant difference in heats evolved at the temperatures investigated. Total proton uptake did not vary significantly with temperature. Site-specific enthalpies and entropies were calculated by applying a 4-site, non-electrostatic surface complexation model to the calorimetric data. Interpretation of site-specific enthalpies and entropies of proton adsorption for site L1, L2, and L4 are consistent with previous interpretations of phosphoryl, carboxyl, and hydroxyl/amine site-identities, respectively, and with previous calorimetric measurements of proton adsorption onto mesophilic species. Enthalpies and entropies for surface site L3 are not consistent with the commonly inferred phosphoryl site-identity and are more consistent with sulfhydryl functional groups. These results reveal intricacies of surface reactivity that are not detectable by other methods.

Short Pulsed Laser Methods for Velocimetry and Thermometry in High Enthalpy Facilities, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — A suite of laser-based diagnostics is proposed to measure velocity and temperature simultaneously using unseeded techniques in high enthalpy flows relevant to...

The system analysis of temperature and melting enthalpy of intermetallic compounds of antimony-lanthanoids system of Sb Ln, Sb2Ln composition

International Nuclear Information System (INIS)

Badalova, M.A.; Chamanova, M.; Dodkhoev, E.S.; Badalov, A.; Abdusalyamova, M.N.

2015-01-01

Present article is devoted to system analysis of temperature and melting enthalpy of intermetallic compounds of antimony-lanthanoids system of Sb Ln, Sb 2 Ln composition. The melting enthalpy was estimated. The temperature value was determined.

The standard enthalpies of formation of L-asparagine and L-{alpha}-glutamine

Energy Technology Data Exchange (ETDEWEB)

Contineanu, Iulia, E-mail: icontineanu@yahoo.com [Institute of Physical Chemistry ' I.G. Murgulescu' , Spl. Independentei 202, Bucharest (Romania); Neacsu, Ana, E-mail: anna_matache@yahoo.com [Institute of Physical Chemistry ' I.G. Murgulescu' , Spl. Independentei 202, Bucharest (Romania); Perisanu, Stefan T., E-mail: stefan.perisanu@upb.ro [Laboratory of General Chemistry, Polytechnic University of Bucharest, str. Polizu nr. 1, Bucuresti (Romania)

2010-01-10

The energies of combustion of L-asparagine and L-{alpha}-glutamine were measured in a static bomb adiabatic calorimeter. Corrections were made for the heats due to the ignition of sample and for the nitric acid formation. The derived enthalpies of formation in solid state of asparagine monohydrate, nonhydrated asparagine and glutamine are respectively -1084.1 {+-} 3.0, -788.1 {+-} 4.7 and -834.3 {+-} 4.6 kJ mol{sup -1}. The data of enthalpy of formation are compared with the literature values and with estimated values by means of group additivity, using parameters recommended by Domalski and Hearing. The discrepancies between experimental and calculated values are explained by considering the number and strength of intermolecular hydrogen bonds. The dehydration of asparagine monohydrate and the possible melting of the three amino acids were investigated by means of DSC. Glutamine melts without considerable decomposition at about 182 {sup o}C, while asparagines decompose during the fusion process (208 {sup o}C).

Mass spectrometric study of thermodynamic properties of gaseous lead tellurates. Estimation of formation enthalpies of gaseous lead polonates

Energy Technology Data Exchange (ETDEWEB)

Shugurov, S.M., E-mail: s.shugurov@spbu.ru; Panin, A.I.; Lopatin, S.I.; Emelyanova, K.A.

2016-10-15

Gaseous reactions involving lead oxides, tellurium oxide and lead tellurates were studied by the Knudsen effusion mass spectrometry. Equilibrium constants and reaction enthalpies were evaluated. Structures, molecular parameters and thermodynamic functions of gaseous PbTeO{sub 3} and Pb{sub 2}TeO{sub 4} were calculated by quantum chemistry methods. The formation enthalpies Δ{sub f}H{sup 0} (298.15) = −294 ± 13 for gaseous PbTeO{sub 3} and Δ{sub f}H{sup 0} (298.15) = −499 ± 12 for gaseous Pb{sub 2}TeO{sub 4} were obtained. On the base of these results the formation enthalpies of gaseous PbPoO{sub 3} and Pb{sub 2}PoO{sub 4} were estimated as −249 ± 34 and −478 ± 38, respectively. - Highlights: • Gaseous lead tellurates PbTeO{sub 3}, Pb{sub 2}TeO{sub 4} were discovered. • Their thermodynamic properties were studied using both high temperature mass spectrometry and quantum chemistry computations. • The obtained data allows to predict the formation enthalpies of gaseous lead polonates PbPoO{sub 3}, Pb{sub 2}PoO{sub 4}.

Enthalpies of solution of N,N,N',N'-tetramethylurea in amides, dimethylsulphoxide, and acetone at 298.15 K

International Nuclear Information System (INIS)

Ivanov, Evgeniy V.; Smirnov, Valeriy I.

2008-01-01

The enthalpies of solution Δ sol H m m were determined for N,N,N',N'-tetramethylurea in formamide, N-methylformamide, N,N-dimethylformamide, N,N-dimethylacetamide, dimethylsulphoxide, and acetone. Measurements were made at 298.15 K and molalities m = (0.004 to 0.031) mol . kg -1 with a precise isoperibol ampoule-type calorimeter. Standard enthalpies of solution Δ sol H m 0 and transfer Δ tr H m 0 from one solvent to another were computed. The enthalpies of solution of the solute in the hydrogen-non-bonding media were found to be endothermic and weak depending on the nature of methylation in a solvent molecule. It was concluded that the solvent proton-donor ability and existing steric hindrances for hydrogen bonding and other intermolecular interactions play the key role in solvation of tetramethylurea

Experimental investigation of the enthalpy and mass flow distribution between subchannels in a BWR cluster geometry (PELCO-S)

International Nuclear Information System (INIS)

Herkenrath, H.; Hufschmidt, W.

1979-01-01

Experiments based on the subchannel isokinetic technique have been carried out at the JRC of the European Community at Ispra, using a purposely designed 16-rod test section, simulating in a rather accurate way a typical BWR geometry. The adopted system allows the simultaneous determination of mass flow and enthalpy, at the end of the bundle active length, in four characteristic subchannels of the 16-rod lattice. The results show some pronounced flow and enthalpy variations within the bundle, not accurately taken into account by current subchannel codes, such as COBRA-3C. In particular low values both in mass flow and enthalpy have been found in corner subchannel, in disagreement with code predictions, but confirming previous General Electric experiments carried out in a 9-rod test section. This report deals only with the experimental procedure and the results

Down-Hole Heat Exchangers: Modelling of a Low-Enthalpy Geothermal System for District Heating

Directory of Open Access Journals (Sweden)

M. Carlini

2012-01-01

Full Text Available In order to face the growing energy demands, renewable energy sources can provide an alternative to fossil fuels. Thus, low-enthalpy geothermal plants may play a fundamental role in those areas—such as the Province of Viterbo—where shallow groundwater basins occur and conventional geothermal plants cannot be developed. This may lead to being fuelled by locally available sources. The aim of the present paper is to exploit the heat coming from a low-enthalpy geothermal system. The experimental plant consists in a down-hole heat exchanger for civil purposes and can supply thermal needs by district heating. An implementation in MATLAB environment is provided in order to develop a mathematical model. As a consequence, the amount of withdrawable heat can be successfully calculated.

Parameter optimization for surface flux transport models

Science.gov (United States)

Whitbread, T.; Yeates, A. R.; Muñoz-Jaramillo, A.; Petrie, G. J. D.

2017-11-01

Accurate prediction of solar activity calls for precise calibration of solar cycle models. Consequently we aim to find optimal parameters for models which describe the physical processes on the solar surface, which in turn act as proxies for what occurs in the interior and provide source terms for coronal models. We use a genetic algorithm to optimize surface flux transport models using National Solar Observatory (NSO) magnetogram data for Solar Cycle 23. This is applied to both a 1D model that inserts new magnetic flux in the form of idealized bipolar magnetic regions, and also to a 2D model that assimilates specific shapes of real active regions. The genetic algorithm searches for parameter sets (meridional flow speed and profile, supergranular diffusivity, initial magnetic field, and radial decay time) that produce the best fit between observed and simulated butterfly diagrams, weighted by a latitude-dependent error structure which reflects uncertainty in observations. Due to the easily adaptable nature of the 2D model, the optimization process is repeated for Cycles 21, 22, and 24 in order to analyse cycle-to-cycle variation of the optimal solution. We find that the ranges and optimal solutions for the various regimes are in reasonable agreement with results from the literature, both theoretical and observational. The optimal meridional flow profiles for each regime are almost entirely within observational bounds determined by magnetic feature tracking, with the 2D model being able to accommodate the mean observed profile more successfully. Differences between models appear to be important in deciding values for the diffusive and decay terms. In like fashion, differences in the behaviours of different solar cycles lead to contrasts in parameters defining the meridional flow and initial field strength.

Vapor pressures and vaporization enthalpy of (−) α-bisabolol and (dl) menthol by correlation gas chromatography

International Nuclear Information System (INIS)

Keating, Leasa; Harris, Harold H.; Chickos, James S.

2017-01-01

Highlights: • The vaporization enthalpy and vapor pressure of (−) α-bisabolol and (dl)-menthol have been measured as a function of temperature. • Vapor pressures, vaporization enthalpies and boiling temperatures have been compared to available literature data. • Vapor pressures of (l)-menthol are compared to (dl)-menthol. - Abstract: The vapor pressures and vaporization enthalpies of (−) α-bisabolol and (dl)-menthol, two GRAS chemicals (generally recognized as safe) are evaluated by correlation gas chromatography using a series of saturated primary alcohols as standards. Vaporization enthalpies of (96.6 ± 2.4) and (74.2 ± 2.8) kJ mol −1 and vapor pressures of p/Pa = (0.020 ± 0.003) and (4.5 ± 0.44) were evaluated at T = 298.15 K for (−) α-bisabolol and (dl)-menthol, respectively, and compared to literature values. The vapor pressures of both compounds from T = (298.15 to 500) K have been derived from correlations using vapor pressures of a series of 1-alkanols and corresponding gas chromatographic retention times at 10 K intervals. The results were fit to a second order polynomial. Calculated normal boiling temperatures of T B = (574.8 and 492.7) K are calculated for (−) α-bisabolol and (dl)-menthol, respectively. A normal boiling temperature of T B = (485.2, and 489.7) K has previously been reported for (dl)-menthol. Vapor pressures for both (l)-menthol and (dl)-menthol from a previous study and (dl)-menthol from this study are compared with literature values.

Energetic studies of urea derivatives: Standard molar enthalpy of formation of 3,4,4'-trichlorocarbanilide

Energy Technology Data Exchange (ETDEWEB)

Ribeiro da Silva, Maria das Dores M.C. [Centro de Investigacao em Quimica, Department of Chemistry, Faculty of Science, University of Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Ribeiro da Silva, Manuel A.V., E-mail: risilva@fc.up.p [Centro de Investigacao em Quimica, Department of Chemistry, Faculty of Science, University of Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Freitas, Vera L.S. [Centro de Investigacao em Quimica, Department of Chemistry, Faculty of Science, University of Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Roux, Maria Victoria; Jimenez, Pilar; Davalos, Juan Z. [Instituto de Quimica Fisica ' Rocasolano' , C.S.I.C., Serrano, 119, E-28006 Madrid (Spain); Cabildo, Pilar; Claramunt, Rosa M. [Departamento de Quimica Organica y Bio-Organica, Facultad de Ciencias, UNED, Senda del Rey, 9, E-28040 Madrid (Spain); Pinilla, Elena; Rosario Torres, M. [Departamento de Quimica Inorganica I, Laboratorio de Difraccion de Rayos X, Facultad de Ciencias Quimicas, E-28040 Madrid (Spain); Elguero, Jose [Instituto de Quimica Medica, C.S.I.C., Juan de la Cierva, 3, E-28006 Madrid (Spain)

2010-04-15

Thermochemical and thermophysical studies have been carried out for crystalline 3,4,4'-trichlorocarbanilide. The standard (p{sup o} = 0.1 MPa) molar enthalpy of formation, at T = 298.15 K, for the crystalline 3,4,4'-trichlorocarbanilide (TCC) was experimentally determined using rotating-bomb combustion calorimetry, as -(234.6 +- 8.3) kJ . mol{sup -1}. The standard enthalpy of sublimation, at the reference temperature of 298.15 K, was measured by the vacuum drop microcalorimetric technique, using a High Temperature Calvet Microcalorimeter as (182.1 +- 1.7) kJ . mol{sup -1}. These two thermochemical parameters yielded the standard molar enthalpy of formation of the studied compound, in the gaseous phase, at T = 298.15 K, as -(52.5 +- 8.5) kJ . mol{sup -1}. This parameter was also calculated by computational thermochemistry at M05-2X/6-311++G** and B3LYP/6-311++G(3df, 2p) levels, with a deviation less than 4.5 kJ . mol{sup -1} from experimental value. Moreover, the thermophysical study was made by differential scanning calorimetry, DSC, over the temperature interval between T = 263 K and its onset fusion temperature, T = (527.5 +- 0.4) K. A solid-solid phase transition was found at T = (428 +- 1) K, with the enthalpy of transition of (6.1 +- 0.1) kJ . mol{sup -1}. The X-ray crystal structure of TCC was determined and the three-centred N-H...O=C hydrogen bonds present analyzed.

Calculation of partial enthalpies in argon-krypton mixtures by NPT molecular dynamics

NARCIS (Netherlands)

Sindzingre, P.; Massobrio, C.; Ciccotti, G.; Frenkel, D.

1989-01-01

In an earlier paper, we have indicated how, by using a particle-insertion technique, partial molar enthalpies and related quantities can be evaluated from simulations on a single state point. In the present paper we apply this method to a Lennard-Jones argon-krypton mixture. For this particular

Experimental-numerical study of heat flow in deep low-enthalpy geothermal conditions

NARCIS (Netherlands)

Saeid, S.; Al-Khoury, R.; Nick, H.M.; Barends, F.

2014-01-01

This paper presents an intensive experimental-numerical study of heat flow in a saturated porous domain. A temperature and a flow rate range compared to that existing in a typical deep low-enthalpy hydrothermal system is studied. Two main issues are examined: the effect of fluid density and

Effects of regional-scale and convective transports on tropospheric ozone chemistry revealed by aircraft observations during the wet season of the AMMA campaign

Directory of Open Access Journals (Sweden)

G. Ancellet

2009-01-01

Full Text Available The African Monsoon Multidisciplinary Analyses (AMMA fourth airborne campaign was conducted in July–August 2006 to study the chemical composition of the middle and upper troposphere in West Africa with the major objective to better understand the processing of chemical emissions by the West African Monsoon (WAM and its associated regional-scale and vertical transports. In particular, the french airborne experiment was organized around two goals. The first was to characterize the impact of Mesoscale Convective Systems (MCSs on the ozone budget in the upper troposphere and the evolution of the chemical composition of these convective plumes as they move westward toward the Atlantic Ocean. The second objective was to discriminate the impact of remote sources of pollution over West Africa, including transport from the middle east, Europe, Asia and from southern hemispheric fires. Observations of O₃, CO, NO_x, H₂O and hydroperoxide above West Africa along repeated meridional transects were coupled with transport analysis based on the FLEXPART lagrangian model. The cross analysis of trace gas concentrations and transport pathways revealed 5 types of air masses: convective uplift of industrial and urban emissions, convective uplift of biogenic emissions, slow advection from Cotonou polluted plumes near the coast, meridional transport of upper tropospheric air from the subtropical barrier region, and meridional transport of Southern Hemisphere (SH biomass burning emissions. O₃/CO correlation plots and the correlation plots of H₂O₂ with a OH proxy revealed not only a control of the trace gas variability by transport processes but also significant photochemical reactivity in the mid- and upper troposphere. The study of four MCSs outflow showed contrasted chemical composition and air mass origins depending on the MCSs lifetime and latitudinal position. Favorables conditions for ozone

Overturn of the Oceasn Flow in the North Atlantic as a Trigger of Inertia Motion to Form a Meridional Ocean Circulation

Science.gov (United States)

Nakamura, Shigehisa

2010-05-01

This work is an introduction of a meridional ocean circulation. As for the zonal motions,there have been many contributions. Recent oceanographic works noticed an overturn of the ocean current in the North Atlantic. The author notices this overturn is a trigger to generate a meridional ocean circulation to have a track through the deep Atlantic, the deep circum-polar current, the deep branch flow to the Pacific between the Australian and the South America. The east part of the branch flow relates to the upwelling off Peru, and the west part relates to form a deep water in the Northwest Pacific. THe overturn of the North Atlantic suggests an outflow of the deep water and a storage of the old aged deep water in the Northwest Pacific. The storage water increase in the Northwest Pacific shoould be a trigger of the swelling up of the sea level mid Pacific to affect to the ocean front variations between the coastal waters and the ocean water. In order to keep a hydrodynamic balance on the earth, an increase of the deep water in the Pacific should flow through the Bering Sea and the Arctic Sea to get to the North Atlantic. It should be noted that a budget of the ocean water flow must be hold the condition of the water masses concservation on the earth surface. This inertia motion is maintained once induced after any natural effect or some man-made influences. At this stage, the author has to notice that there has been developed a meridional inertia path of the air particle as well as the ocean water parcel, nevertheless nobody has had pointed out this inertiamotion with a meridional path in the ocean. Air-sea interaction must be one of the main factors for driving the ocean water though the inertia motion in the global scale is more energetic. To the details, the scientists should pursue what geophysical dynamics must be developed in the future.

Standard molar enthalpies of formation of 2-chloroquinoline, 4-chloroquinoline, 6-chloroquinoline and 4,7-dichloroquinoline by rotating-bomb calorimetry

International Nuclear Information System (INIS)

Ribeiro da Silva, Manuel A.V.; Matos, Maria Agostinha R.; Amaral, Luisa M.P.F.

2006-01-01

The standard (p o =0.1MPa) molar enthalpies of combustion, Δ c H m - bar , for crystalline 2-, 4-, 6-chloroquinoline and 4,7-dichloroquinoline were determined at the temperature 298.15K using a rotating-bomb combustion calorimeter. The standard molar enthalpies of sublimation, Δ cr g H m o , at T= 298.15K, were determined by Calvet microcalorimetry. The results were as follows: -Δ c H m o (cr)/(kJ.mol -1 )Δ cr g H m o /(kJ.mol -1 )2-Chloroquinoline4492.5+/-1.684.3+/-2.64-Chloroquinoline4508.4 +/ -1.678.6+/-1.76-Chloroquinoline4508.2+/-1.680.8+/-1.94,7-Dichloroquinoline 4353.3+/-1.389.5+/-2.3 These values were used to derive the standard molar enthalpies of formation of the compounds in their crystalline and gaseous phases, respectively. The derived standard molar enthalpies of formation, in the gaseous state, are analysed in terms of enthalpic increments and interpreted in terms of molecular structure

D2O, Computation of Thermodynamic and Transport Properties of Heavy Water

International Nuclear Information System (INIS)

Durmayaz, Ahmet

2000-01-01

1 - Description of program or function: A computer program for the fast computation of the thermodynamic and transport properties of heavy water (D 2 O) at saturation, in subcooled liquid and superheated vapor states. Specific volume (or density), specific enthalpy, specific entropy, constant-pressure specific heat and temperature at saturation are calculated by a number of piecewise continuous approximation functions of (and their derivatives are calculated with respect to) pressure whereas pressure at saturation is calculated by a piecewise continuous approximation function of temperature for heavy water. Density in subcooled liquid state, specific volume in super-heated vapor state, specific enthalpy, specific entropy and constant-pressure specific heat in both of these states are calculated by some piecewise continuous approximation functions of pressure and temperature for heavy water. The correlations used in the calculation of these thermodynamic properties of heavy water were derived by fitting some appropriate curves to the data given in the steam tables by Hill et al (1981). The whole set of correlations and the approximation method used in their derivation are presented by Durmayaz (1997). Dynamic viscosity and thermal conductivity for heavy water are calculated as functions of temperature and density with the correlations given by Hill et al (1981), by Matsunaga and Nagashima (1983) and by Kestin et al (1984). Surface tension for heavy water is calculated as a function of temperature with the correlation given by Crabtree and Siman-Tov (1993). 2 - Methods: A group of pressure-enthalpy (P-h) pairs can be given in an input data file or assigned in the main program without knowing the state in which fluid takes place. In this case, first, the enthalpies at saturation corresponding to the given pressure are computed. Second, the state is determined by comparing the given enthalpy to the saturation enthalpies. Then, the properties are computed. Program D 2 O

ENTHALPY EU PROJECT: ENABLING THE DRYING PROCESS TO SAVE ENERGY AND WATER, REALISING PROCESS EFFICIENCY IN THE DAIRY CHAIN

OpenAIRE

Berta ALVAREZ PENEDO; Sandra FORSTNER; Alexandru RUSU

2016-01-01

The EU funded ENTHALPY project aims to significantly reduce the consumption of water and energy in milk powder production to increase efficiency in the dairy production chain. Using a systematic approach, ENTHALPY project focusses on innovations within the post-harvest chain representing the highest energy and water consumption such as RF heating, solar thermal energy, mono-disperse atomising, dryer modelling, inline monitoring, enzymatic cleaning and membrane technology,

The Role of Structural Enthalpy in Spherical Nucleic Acid Hybridization.

Science.gov (United States)

Fong, Lam-Kiu; Wang, Ziwei; Schatz, George C; Luijten, Erik; Mirkin, Chad A

2018-05-23

DNA hybridization onto DNA-functionalized nanoparticle surfaces (e.g., in the form of a spherical nucleic acid (SNA)) is known to be enhanced relative to hybridization free in solution. Surprisingly, via isothermal titration calorimetry, we reveal that this enhancement is enthalpically, as opposed to entropically, dominated by ∼20 kcal/mol. Coarse-grained molecular dynamics simulations suggest that the observed enthalpic enhancement results from structurally confining the DNA on the nanoparticle surface and preventing it from adopting enthalpically unfavorable conformations like those observed in the solution case. The idea that structural confinement leads to the formation of energetically more stable duplexes is evaluated by decreasing the degree of confinement a duplex experiences on the nanoparticle surface. Both experiment and simulation confirm that when the surface-bound duplex is less confined, i.e., at lower DNA surface density or at greater distance from the nanoparticle surface, its enthalpy of formation approaches the less favorable enthalpy of duplex formation for the linear strand in solution. This work provides insight into one of the most important and enabling properties of SNAs and will inform the design of materials that rely on the thermodynamics of hybridization onto DNA-functionalized surfaces, including diagnostic probes and therapeutic agents.

A Simple Experiment for Determining Vapor Pressure and Enthalpy of Vaporization of Water.

Science.gov (United States)

Levinson, Gerald S.

1982-01-01

Laboratory procedures, calculations, and sample results are described for a freshman chemistry experiment in which the Clausius-Clapeyron equation is introduced as a means of describing the variation of vapor pressure with temperature and for determining enthalpy of vaporization. (Author/SK)

Enthalpy-entropy compensation for the solubility of drugs in solvent mixtures: paracetamol, acetanilide, and nalidixic acid in dioxane-water.

Science.gov (United States)

Bustamante, P; Romero, S; Pena, A; Escalera, B; Reillo, A

1998-12-01

In earlier work, a nonlinear enthalpy-entropy compensation was observed for the solubility of phenacetin in dioxane-water mixtures. This effect had not been earlier reported for the solubility of drugs in solvent mixtures. To gain insight into the compensation effect, the behavior of the apparent thermodynamic magnitudes for the solubility of paracetamol, acetanilide, and nalidixic acid is studied in this work. The solubility of these drugs was measured at several temperatures in dioxane-water mixtures. DSC analysis was performed on the original powders and on the solid phases after equilibration with the solvent mixture. The thermal properties of the solid phases did not show significant changes. The three drugs display a solubility maximum against the cosolvent ratio. The solubility peaks of acetanilide and nalidixic acid shift to a more polar region at the higher temperatures. Nonlinear van't Hoff plots were observed for nalidixic acid whereas acetanilide and paracetamol show linear behavior at the temperature range studied. The apparent enthalpies of solution are endothermic going through a maximum at 50% dioxane. Two different mechanisms, entropy and enthalpy, are suggested to be the driving forces that increase the solubility of the three drugs. Solubility is entropy controlled at the water-rich region (0-50% dioxane) and enthalpy controlled at the dioxane-rich region (50-100% dioxane). The enthalpy-entropy compensation analysis also suggests that two different mechanisms, dependent on cosolvent ratio, are involved in the solubility enhancement of the three drugs. The plots of deltaH versus deltaG are nonlinear, and the slope changes from positive to negative above 50% dioxane. The compensation effect for the thermodynamic magnitudes of transfer from water to the aqueous mixtures can be described by a common empirical nonlinear relationship, with the exception of paracetamol, which follows a separate linear relationship at dioxane ratios above 50%. The

The CPA Equation of State and an Activity Coefficient Model for Accurate Molar Enthalpy Calculations of Mixtures with Carbon Dioxide and Water/Brine

Energy Technology Data Exchange (ETDEWEB)

Myint, P. C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Hao, Y. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Firoozabadi, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2015-03-27

Thermodynamic property calculations of mixtures containing carbon dioxide (CO₂) and water, including brines, are essential in theoretical models of many natural and industrial processes. The properties of greatest practical interest are density, solubility, and enthalpy. Many models for density and solubility calculations have been presented in the literature, but there exists only one study, by Spycher and Pruess, that has compared theoretical molar enthalpy predictions with experimental data [1]. In this report, we recommend two different models for enthalpy calculations: the CPA equation of state by Li and Firoozabadi [2], and the CO₂ activity coefficient model by Duan and Sun [3]. We show that the CPA equation of state, which has been demonstrated to provide good agreement with density and solubility data, also accurately calculates molar enthalpies of pure CO₂, pure water, and both CO₂-rich and aqueous (H₂O-rich) mixtures of the two species. It is applicable to a wider range of conditions than the Spycher and Pruess model. In aqueous sodium chloride (NaCl) mixtures, we show that Duan and Sun’s model yields accurate results for the partial molar enthalpy of CO₂. It can be combined with another model for the brine enthalpy to calculate the molar enthalpy of H₂O-CO₂-NaCl mixtures. We conclude by explaining how the CPA equation of state may be modified to further improve agreement with experiments. This generalized CPA is the basis of our future work on this topic.

Field tests for the comparative evaluation of heat and enthalpy exchangers in compact ventilation units; Feldvergleich von Waerme- und Enthalpieuebertragern in Kompakt-Lueftungsgeraeten - Schlussbericht

Energy Technology Data Exchange (ETDEWEB)

Frei, B.

2007-07-01

In an efficiency review on low energy buildings promoted by the Swiss Federal Office of Energy, low air humidity has been measured during thousands of annual hours. Modern compact ventilation units are being increasingly offered with transmission of heat and moisture. One possibility to raise the air humidity level is an enthalpy exchanger with steam-permeable membranes. With an enthalpy exchanger you can not only recover heat but also a good part of the humidity of the return air. In a comparative field study alternate applications with enthalpy or heat exchangers have been analysed at four different locations. Also calculations have been made to estimate how a rotating heat exchanger with ion-exchange resin would have performed. The comparative field study has shown that the enthalpy exchanger is able to raise the humidity level. Conditions for this are internal humidity loads, balanced air volume rates which correspond to occupancy as well as low leakages of the ventilation unit. Over-moistening due to the system with enthalpy exchanger was not found. The measurements have been affected by a sequence of winter months which have been partially warmer than usual. Otherwise the difference between enthalpy and heat exchangers would have been more significant. (author)

Revision of standard molar enthalpies of formation of glycine and L-alanine in the gaseous phase on the basis of theoretical calculations

International Nuclear Information System (INIS)

Dorofeeva, Olga V.; Ryzhova, Oxana N.

2009-01-01

The standard molar enthalpies of formation of urea, glycine, and L-alanine in the gaseous phase at 298.15 K were calculated by the high-level Gaussian-3X method. The agreement with the available experimental data is very good for urea and glycine and, thus, supports the high accuracy of calculated values. A significant discrepancy between theoretical and experimental enthalpy of formation values for L-alanine provides a reason to reconsider the experimental data previously used to derive the standard molar enthalpy of formation of L-alanine in the gaseous phase at 298.15 K. To obtain a more reliable value of enthalpy of sublimation at 298.15 K, the heat capacity values of gaseous L-alanine were calculated by standard statistical thermodynamics formulae using molecular parameters determined from B3LYP/cc-pVTZ calculations. With the obtained value of C p,m 0 (L-alanine, g, 298.15 K) = 112.6 ± 4.0 J . K -1 . mol -1 the original published experimental values of enthalpy of sublimation of L-alanine were readjusted to the reference temperature: Δ cr g H m (L-alanine, 298.15 K) = 135.2 ± 2.0 kJ . mol -1 . This value, together with the experimental enthalpy of formation of solid L-alanine, Δ f H m 0 (L-alanine, cr, 298.15 K) = -560.0 ± 1.0 kJ . mol -1 [S.N. Ngauv, R. Sabbah, M. Laffitte, Thermochim. Acta 20 (1977) 371-380; I. Contineanu, D.I. Marchidan, Rev. Roum. Chim. 29 (1984) 43-48], gives a new value for the enthalpy of formation of L-alanine in the gaseous phase, Δ f H m 0 (L-alanine, g, 298.15 K) = -424.8 ± 2.0 kJ . mol -1 , which is in good agreement with our theoretical G3X result, -427.6 ± 4.0 kJ . mol -1 . The same procedure for glycine allowed us to improve the literature value of the enthalpy of formation for this compound, Δ f H m 0 (glycine, g, 298.15 K) = -393.7 ± 1.5 kJ . mol -1 . As a result a set of self-consistent thermochemical data for glycine and L-alanine is proposed

Vapor pressures and enthalpies of vaporization of a series of 1- and 2-halogenated naphthalenes

International Nuclear Information System (INIS)

Verevkin, Sergey P.

2003-01-01

Molar enthalpies of vaporization, Δ l g H m 0 , of 1-methyl-naphthalene, 1-chloro-napthalene, 2-chloro-naphthalene, 1-bromo-naphthalene, 2-bromo-naphthalene, and 1-iodo-naphthalene, as well as molar enthalpies of sublimation, Δ s g H m 0 , of 2-chloro-naphthalene and 2-bromo-naphthalene have been obtained from the temperature dependence of the vapor pressure determined with the transpiration method. These values and the correlation gas-chromatography method, based on the Kovat's index, have been used to determine Δ l g H m 0 and Δ s g H m 0 of 2-iodo-naphthalene. Results obtained in this work have been compared with those from the literature and found consistent

Enthalpies of Dissolution of Crystalline Naproxen Sodium in Water and Potassium Hydroxide Aqueous Solutions at 298 K

Science.gov (United States)

Lytkin, A. I.; Chernikov, V. V.; Krutova, O. N.; Bychkova, S. A.; Volkov, A. V.; Skvortsov, I. A.

2018-03-01

The enthalpies of dissolution of crystalline naproxen sodium in water and aqueous solutions of KOH at 298.15 K are measured by direct calorimetric means in a wide range of concentrations. The acid-base properties of naproxen sodium at ionic strength I 0 and I = 0.1 (KNO3) and a temperature of 298.15 K are studied by spectrophotometric means. The concentration and thermodynamic dissociation constants are determined. The standard enthalpies of the formation of naproxen sodium and the products of its dissociation in aqueous solution are calculated.

Investigation on the transient enthalpy of coal combustion

Energy Technology Data Exchange (ETDEWEB)

Fu, Pei-fang; Wang, Na; Yu, Bo; Zhang, Bin; Liu, Yang; Zhou, Huai-chun [Huazhong Univ. of Science and Technology, Wuhan (China). State Key Lab. of Coal Combustion

2013-07-01

The transient enthalpy ({Delta}h) of coal/char combustion of the three different coals (including anthracite, bituminous, and lignite) during the process of combustion is determined as a function of burn-off degree by using thermo-gravimetric-differential scanning calorimeter (TG-DSC) simultaneous thermal analyzer, and The error of determining calorific values of coals/chars is less 5% compared the results of TG-DSC with that of an automatic isoperibol calorimeter. It is found that In the initial stage, all the {Delta}h of coals are greater than that of the char pyrolysized from parent coal for many of volatiles contained more a great deal of heat per unit mass oxidized at low temperature, it also imply that coal is more easily ignited than char corresponded; And in the middle stage, all the {Delta}h of coals is lower than that of the char pyrolysized, so the pyrolysized char oxidation can supply much more of thermo-energy per unit mass. {Delta}h are almost a constant when the burn-off degree is equal to between 0.35/0.15 and 0.95/0.85 for ZCY bituminous coal/char and JWY anthracite/char, between 0.35/0.35 and 0.75/0.9 for SLH lignite/char; In the later stage, the {Delta}h of the coal/char decreased with the burn-off degree, it imply that the activity of the coal/char decreases. Therefore, coal pyrolysis changes not only the structure of char, but also the property of release heat; the transient enthalpy of coal/char combustion has been in change with the burn-out degree.

The Role of Ocean and Atmospheric Heat Transport in the Arctic Amplification

Science.gov (United States)

Vargas Martes, R. M.; Kwon, Y. O.; Furey, H. H.

2017-12-01

Observational data and climate model projections have suggested that the Arctic region is warming around twice faster than the rest of the globe, which has been referred as the Arctic Amplification (AA). While the local feedbacks, e.g. sea ice-albedo feedback, are often suggested as the primary driver of AA by previous studies, the role of meridional heat transport by ocean and atmosphere is less clear. This study uses the Community Earth System Model version 1 Large Ensemble simulation (CESM1-LE) to seek deeper understanding of the role meridional oceanic and atmospheric heat transports play in AA. The simulation consists of 40 ensemble members with the same physics and external forcing using a single fully coupled climate model. Each ensemble member spans two time periods; the historical period from 1920 to 2005 using the Coupled Model Intercomparison Project Phase 5 (CMIP5) historical forcing and the future period from 2006 to 2100 using the CMIP5 Representative Concentration Pathways 8.5 (RCP8.5) scenario. Each of the ensemble members are initialized with slightly different air temperatures. As the CESM1-LE uses a single model unlike the CMIP5 multi-model ensemble, the internal variability and the externally forced components can be separated more clearly. The projections are calculated by comparing the period 2081-2100 relative to the time period 2001-2020. The CESM1-LE projects an AA of 2.5-2.8 times faster than the global average, which is within the range of those from the CMIP5 multi-model ensemble. However, the spread of AA from the CESM1-LE, which is attributed to the internal variability, is 2-3 times smaller than that of the CMIP5 ensemble, which may also include the inter-model differences. CESM1LE projects a decrease in the atmospheric heat transport into the Arctic and an increase in the oceanic heat transport. The atmospheric heat transport is further decomposed into moisture transport and dry static energy transport. Also, the oceanic heat

Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations

Energy Technology Data Exchange (ETDEWEB)

Varfolomeev, Mikhail A.; Rakipov, Ilnaz T.; Khachatrian, Artashes A. [Department of Physical Chemistry, Kazan Federal University, Kremlevskaya 18, Kazan 420008 (Russian Federation); Acree, William E., E-mail: acree@unt.edu [Department of Chemistry, 1155 Union Circle # 305070, University of North Texas, Denton, TX 76203-5017 (United States); Brumfield, Michela [Department of Chemistry, 1155 Union Circle # 305070, University of North Texas, Denton, TX 76203-5017 (United States); Abraham, Michael H. [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom)

2015-10-10

Graphical abstract: - Highlights: • Enthalpies of solution measured for 43 solutes dissolved in chlorobenzene. • Enthalpies of solution measured for 72 solutes dissolved in 1,2-dichlorobenzene. • Mathematical expressions derived for predicting enthalpies of solvation of solutes in chlorobenzene. • Mathematical expressions derived for predicting enthalpies of solvation of solutes in 1,2-chlorobenzene. - Abstract: Enthalpies of solution at infinite dilution at 298 K, Δ{sub soln}H{sup A/Solvent}, have been measured by isothermal solution calorimetry for 43 and 72 organic solutes dissolved in chlorobenzene and 1,2-dichlorobenzene, respectively. The measured Δ{sub soln}H{sup A/Solvent} data, along with published Δ{sub soln}H{sup A/Solvent} values taken from the published literature for solutes dissolved in both chlorobenzene solvents, were converted to enthalpies of solvation, Δ{sub solv}H{sup A/Solvent}, using standard thermodynamic equations. Abraham model correlations were developed from the experimental Δ{sub solv}H{sup A/Solvent} data. The best derived correlations describe the experimental gas-to-chlorobenzene and gas-to-1,2-dichlorobenzene enthalpies of solvation to within standard deviations of 1.5 kJ mol{sup −1} and 1.9 kJ mol{sup −1}, respectively. Enthalpies of X−H…π (X – O, N, and C) hydrogen bond formation of proton donor solutes (alcohols, amines, chlorinated hydrocarbons, etc.) with chlorobenzene and 1,2-dichlorobenzene were calculated based on the Abraham solvation equation. Obtained values are in good agreement with the results determined using conventional methods.

ENTHALPY EU PROJECT: ENABLING THE DRYING PROCESS TO SAVE ENERGY AND WATER, REALISING PROCESS EFFICIENCY IN THE DAIRY CHAIN

Directory of Open Access Journals (Sweden)

Berta ALVAREZ PENEDO

2016-11-01

Full Text Available The EU funded ENTHALPY project aims to significantly reduce the consumption of water and energy in milk powder production to increase efficiency in the dairy production chain. Using a systematic approach, ENTHALPY project focusses on innovations within the post-harvest chain representing the highest energy and water consumption such as RF heating, solar thermal energy, mono-disperse atomising, dryer modelling, inline monitoring, enzymatic cleaning and membrane technology,

Temperatures and enthalpies of melting of alkali-metal perrhenates

International Nuclear Information System (INIS)

Lukas, W.; Gaune-Escard, M.

1982-01-01

Melting temperatures and enthalpies of melting were determined for alkali-metal perrhenates by differential enthalpic analysis using a high-temperature Calvet microcalorimeter. The following values were obtained: for LiReO 4 : 692 K and 24.9 kJ.mol -1 ; for NaReO 4 : 693 K and 33 kJ.mol -1 ; for KReO 4 : 828 K and 36 kJ.mol -1 ; for RbReO 4 : 878 K and 34 kJ.mol -1 ; for CsReO 4 : 893 K and 34 kJ.mol -1 . (author)

Geomagnetic storm effects in ionospheric TEC at an euatorial station: contribution of EXB drifts and meridional neutral winds

International Nuclear Information System (INIS)

Dabas, R.S.; Jain, A.R.

1985-01-01

Storm-time variations in TEC measurements at the Indian station Ootacamund with IEC data for four stations in the anomaly region. Variations in Nsub(T)(OOTY) are found to be smaller compared to those observed at anomaly stations. The equatorial electrojet control of Nsub(T)(OOTY) is weaker compared to that of Nsub(m)F2. This result and absence of midday biteout in Nsub(T)(OOTY) are interpreted in terms of plasma exchange between ionosphere and plasmasphere which, to some extent, compensates the loss of plasma in the column due to E x B drifts. The anomaly depth is found to be well correlated with the electrojet strength. It is also noticed that for the same anomaly is weaker on a storm day than for quiet days. This is interpreted in terms of converging equatorward meridional winds. Thus, ionosphere-plasmasphere plasma exchange and, during disturbed period, the converging equatorward meridional winds also have significant effects on the distribution of ionization at these latitudes though the E x B drifts are most important in affecting the ionization distribution at low latitudes. (author)

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

Science.gov (United States)

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

2018-03-01

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

Relation between the adsorbed quantity and the immersion enthalpy in catechol aqueous solutions on activated carbons.

Science.gov (United States)

Moreno-Piraján, Juan Carlos; Blanco, Diego; Giraldo, Liliana

2012-01-01

An activated carbon, Carbochem(TM)-PS230, was modified by chemical and thermal treatment in flow of H(2), in order to evaluate the influence of the activated carbon chemical characteristics in the adsorption of the catechol. The catechol adsorption in aqueous solution was studied along with the effect of the pH solution in the adsorption process of modified activated carbons and the variation of immersion enthalpy of activated carbons in the aqueous solutions of catechol. The interaction solid-solution is characterized by adsorption isotherms analysis, at 298 K and pH 7, 9 and 11 in order to evaluate the adsorption value above and below that of the catechol pK(a). The adsorption capacity of carbons increases when the solution pH decreases. The retained amount increases slightly in the reduced carbon to maximum adsorption pH and diminishes in the oxidized carbon. Similar conclusions are obtained from the immersion enthalpies, whose values increase with the solute quantity retained. In granular activated carbon (CAG), the immersion enthalpies obtained are between 21.5 and 45.7 J·g(-1) for catechol aqueous solutions in a range of 20 at 1500 mg·L(-1).

Relation Between the Adsorbed Quantity and the Immersion Enthalpy in Catechol Aqueous Solutions on Activated Carbons

Directory of Open Access Journals (Sweden)

Liliana Giraldo

2011-12-01

Full Text Available An activated carbon, CarbochemTM—PS230, was modified by chemical and thermal treatment in flow of H2, in order to evaluate the influence of the activated carbon chemical characteristics in the adsorption of the catechol. The catechol adsorption in aqueous solution was studied along with the effect of the pH solution in the adsorption process of modified activated carbons and the variation of immersion enthalpy of activated carbons in the aqueous solutions of catechol. The interaction solid-solution is characterized by adsorption isotherms analysis, at 298 K and pH 7, 9 and 11 in order to evaluate the adsorption value above and below that of the catechol pKa. The adsorption capacity of carbons increases when the solution pH decreases. The retained amount increases slightly in the reduced carbon to maximum adsorption pH and diminishes in the oxidized carbon. Similar conclusions are obtained from the immersion enthalpies, whose values increase with the solute quantity retained. In granular activated carbon (CAG, the immersion enthalpies obtained are between 21.5 and 45.7 J·g−1 for catechol aqueous solutions in a range of 20 at 1500 mg·L−1.

Vapor pressures and enthalpies of vaporization of a series of the linear aliphatic aldehydes

Czech Academy of Sciences Publication Activity Database

Verevkin, S. P.; Krasnykh, E. L.; Vasiltsova, T. V.; Koutek, Bohumír; Doubský, Jan; Heintz, A.

2003-01-01

Roč. 206, - (2003), s. 331-339 ISSN 0378-3812 Institutional research plan: CEZ:AV0Z4055905 Keywords : aldehydes * vapor pressure * enthalpy of vaporization Subject RIV: CC - Organic Chemistry Impact factor: 1.165, year: 2003

Enthalpy model for heating, melting, and vaporization in laser ablation

OpenAIRE

Vasilios Alexiades; David Autrique

2010-01-01

Laser ablation is used in a growing number of applications in various areas including medicine, archaeology, chemistry, environmental and materials sciences. In this work the heat transfer and phase change phenomena during nanosecond laser ablation of a copper (Cu) target in a helium (He) background gas at atmospheric pressure are presented. An enthalpy model is outlined, which accounts for heating, melting, and vaporization of the target. As far as we know, this is the first model th...

On determination of enthalpies of complex formation reactions by means of temperature coefficient of complexing degree

International Nuclear Information System (INIS)

Povar, I.G.

1995-01-01

Equations describing the relation between temperature coefficient of ∂lnα/∂T complexing degree and the sum of changes in the enthalpy of complex formation of the composition M m L n δH mn multiplied by the weight coefficients k mm , are presented. A method to determine changes in the enthalpy of certain ΔH mm reactions from ∂lnα/∂T derivatives has been suggested. The best approximating equation from lnα/(T) dependence has been found. Errors of thus determined δH mm values are estimated and the results of calculation experiment for the system In 3+ -F - are provided. 10 refs., 2 figs., 3 tabs

The relation between inversion enthalpy and adsorption parameters for an activated carbon in aqueous Pb2+ solutions

International Nuclear Information System (INIS)

Giraldo, Liliana; Moreno, Juan Carlos

2006-01-01

We report the preparation of an activated carbon obtained by impregnation of mineral carbon samples with a phosphoric acid solution (50%).The obtained material, exhibits a superficial area of 586 m 2 .g -1 and a total pore volume of 0.37 cm 3 g -1 . With respect to the chemical properties, the activated carbon shows an increased number of acidic sites (0.92 meq g -l ) compared to basic sites (0.63 meq g-1) which yields a material with almost neutral characteristics (PHpzc: 7.4). At a pH: 4.0 the amount of Pb 2 + absorbed and the immersion enthalpy values for the activated carbon reached a maximum with values of 15.7 mg -1 y 27.6 Jg -1 respectively. It was established that similar behaviour occurs for the two properties, absorption and immersion enthalpy, as a function of pH. In addition, a second order function that relates the adsorption constant and immersion enthalpy, and the adsorption constant and pH of the solution are presented

The relation between immersion enthalpy and adsorption parameters for an activated carbon in aqueous Pb2+solutions

International Nuclear Information System (INIS)

Girado, Liliana; Moreno, Juan Carlos

2006-01-01

We report the preparation of an activated carbon obtained by impregnation of mineral carbon samples with phosphoric acid solution (50%). the obtained material, exhibits a superficial area of 586 m 2 .g -1 and a total pore volume of 0,37 cm 3 g -1 . with respect to the chemical properties, the activated carbon shows an increased number of acidic sites (0,92 meq g -1 ) compared to basic sites (0,63 meq g -1 ) which yields a material with almost neutral characteristics (pH p zc: 7,4). At a pH: 4.0 the amount of pb2+ absorbed and the immersion enthalpy values for the activated carbon reached maxim with values of 15.7 mg -1 y 27,6 Jg -1 respectively. it was established that similar behavior occurs for the two properties, absorption and immersion enthalpy, as a function of pH. in addition, a second order function that relates the adsorption constant and immersion enthalpy, and the adsorption constant and ph of the solution are presented

Vibrations of laminated composite thick shells of revolution having meridionally varying curvature

International Nuclear Information System (INIS)

Suzuki, Katsuyoshi; Shikanai, Genji; Baba, Iwato

1998-01-01

An exact solution is presented for solving free vibrations of laminated composite thick shells of revolution having meridionally varying curvature. Based on the thick lamination theory considering the shear deformation and rotary inertia, equations of motion and boundary conditions are obtained from the stationary conditions of the Lagrangian. The equations of motion are solved exactly by using a power series expansion for symmetrically laminated cross-ply shells. Frequencies and mode shapes of shells of revolution having elliptical and parabolical meridians are presented for both ends clamped, and the effects of shear deformation and rotary inertia are discussed by comparing the results from the present theory with those from the thin lamination theory. (author)

Standard Test Method for Calculation of Stagnation Enthalpy from Heat Transfer Theory and Experimental Measurements of Stagnation-Point Heat Transfer and Pressure

CERN Document Server

American Society for Testing and Materials. Philadelphia

2005-01-01

1.1 This test method covers the calculation from heat transfer theory of the stagnation enthalpy from experimental measurements of the stagnation-point heat transfer and stagnation pressure. 1.2 Advantages 1.2.1 A value of stagnation enthalpy can be obtained at the location in the stream where the model is tested. This value gives a consistent set of data, along with heat transfer and stagnation pressure, for ablation computations. 1.2.2 This computation of stagnation enthalpy does not require the measurement of any arc heater parameters. 1.3 Limitations and ConsiderationsThere are many factors that may contribute to an error using this type of approach to calculate stagnation enthalpy, including: 1.3.1 TurbulenceThe turbulence generated by adding energy to the stream may cause deviation from the laminar equilibrium heat transfer theory. 1.3.2 Equilibrium, Nonequilibrium, or Frozen State of GasThe reaction rates and expansions may be such that the gas is far from thermodynamic equilibrium. 1.3.3 Noncat...

Prediction of the enthalpies of vaporization for room-temperature ionic liquids: Correlations and a substitution-based additive scheme

International Nuclear Information System (INIS)

Kabo, Gennady J.; Paulechka, Yauheni U.; Zaitsau, Dzmitry H.; Firaha, Alena S.

2015-01-01

Highlights: • The available literature data on Δ l g H for ionic liquids were analyzed. • Correlation equations for Δ l g H were derived using symbolic regression. • A substitution-based incremental scheme for Δ l g H was developed. • The proposed scheme has an advantage over the existing predictive procedures. - Abstract: The literature data on the enthalpies of vaporization for aprotic ionic liquids (ILs) published by the end of May 2014 were analyzed and the most reliable Δ l g H m values were derived for 68 ILs. The selected enthalpies of vaporization were correlated with density and surface tension using symbolic regression and a number of effective correlation equations were proposed. The substitution-based incremental scheme for prediction of the enthalpies of vaporization of imidazolium, pyridinium and pyrrolidinium ILs was developed. The standard error of the regression for the developed scheme is significantly lower than that for the atom-based group-contribution schemes proposed earlier

Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids.

Science.gov (United States)

Diedenhofen, Michael; Klamt, Andreas; Marsh, Kenneth; Schäfer, Ansgar

2007-09-07

The vapor pressures and vaporization enthalpies of a series of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids have been predicted with two different approaches using the COSMO-RS method and quantum chemical gas phase calculations. While the calculated enthalpies are in good agreement with the experimental data, COSMO-RS seems to underestimate the vapor pressures by roughly 0.5-4 log units dependent on the IL and approach used.

The Nature of Grand Minima and Maxima from Fully Nonlinear Flux Transport Dynamos

Energy Technology Data Exchange (ETDEWEB)

Inceoglu, Fadil; Arlt, Rainer [Leibniz-Institute for Astrophysics Potsdam, An der Sternwarte 16, D-14482, Potsdam (Germany); Rempel, Matthias, E-mail: finceoglu@aip.de [High Altitude Observatory, National Center for Atmospheric Research, P.O. Box 3000, Boulder, CO 80307 (United States)

2017-10-20

We aim to investigate the nature and occurrence characteristics of grand solar minimum and maximum periods, which are observed in the solar proxy records such as {sup 10}Be and {sup 14}C, using a fully nonlinear Babcock–Leighton type flux transport dynamo including momentum and entropy equations. The differential rotation and meridional circulation are generated from the effect of turbulent Reynolds stress and are subjected to back-reaction from the magnetic field. To generate grand minimum- and maximum-like periods in our simulations, we used random fluctuations in the angular momentum transport process, namely the Λ-mechanism, and in the Babcock–Leighton mechanism. To characterize the nature and occurrences of the identified grand minima and maxima in our simulations, we used the waiting time distribution analyses, which reflect whether the underlying distribution arises from a random or a memory-bearing process. The results show that, in the majority of the cases, the distributions of grand minima and maxima reveal that the nature of these events originates from memoryless processes. We also found that in our simulations the meridional circulation speed tends to be smaller during grand maximum, while it is faster during grand minimum periods. The radial differential rotation tends to be larger during grand maxima, while it is smaller during grand minima. The latitudinal differential rotation, on the other hand, is found to be larger during grand minima.

CFD simulation of air to air enthalpy heat exchanger

International Nuclear Information System (INIS)

Al-Waked, Rafat; Nasif, Mohammad Shakir; Morrison, Graham; Behnia, Masud

2013-01-01

Highlights: • A CFD model capable of modelling conjugate heat and mass transfer processes. • A mesh independence studies and a CFD model validation have been conducted. • Effects of flow direction on the effectiveness have been examined. • Performance parameters were sensible and latent effectiveness and pressure drop. - Abstract: A CFD model which supports conjugate heat and mass transfer problem representation across the membrane of air-to-air energy recovery heat exchangers has been developed. The model consists of one flow passage for the hot stream and another for the adjacent cold stream. Only half of each flow passage volume has been modelled on each side of the membrane surface. Three dimensional, steady state and laminar flow studies have been conducted using a commercial CFD package. The volumetric species transport model has been adopted to describe the H 2 O and air gas mixtures. Mesh dependency has been examined and followed by validation of the CFD model against published data. Furthermore, effects of flow direction at the inlet of the heat exchanger on its thermal effectiveness have been investigated. Simulation results are presented and analysed in terms of sensible effectiveness, latent effectiveness and pressure drop across the membrane heat exchanger. Results have shown that counter-flow configuration has greater sensitivity to the mesh centre perpendicular distance from the membrane when compared to the other two flow configurations (cross-/parallel-flow). However, the lateral mesh element length has shown minimal effect on the thermal effectiveness of the enthalpy heat exchanger. For the quasi-flow heat exchanger, a perpendicular flow direction to the inlets has been found to produce a higher performance in contrast to the non-perpendicular flow

Air to air fixed plate enthalpy heat exchanger, performance variation and energy analysis

Energy Technology Data Exchange (ETDEWEB)

Nasif, Mohammad Shakir [Universiti Teknologi Petronas, Bandar Seri Iskandar (Malaysia); Alwaked, Rafat [Prince Mohammad Bin Fahd University, Al Khobar (Saudi Arabia); Behnia, Masud [University of Sydney, Sydney (Australia); Morrison, Graham [The University of New South Wales, Sydney (Australia)

2013-11-15

The thermal performance of a Z shape enthalpy heat exchanger utilising 70 gsm Kraft paper as the heat and moisture transfer surface has been investigated. Effects of different inlet air humidity ratio conditions on the heat exchanger effectiveness and on the energy recovered by the heat exchanger have been the main focus of this investigation. A typical air conditioning cooling coil which incorporates an enthalpy heat exchanger has been modelled for tropical climate. Under test conditions, results have shown that latent effectiveness and the moisture resistance coefficient have strong dependency on the inlet air humidity ratio. Moreover, the latent effectiveness has been found to be strongly dependent on the moisture resistance coefficient rather than the convective mass transfer coefficient. Finally, annual energy analysis for Singapore weather conditions have also shown that energy recovered under variable inlet air conditions is 15% less than that recovered under constant inlet air conditions for the same heat exchanger.

Standard molar enthalpies of formation of hydroxy-, chlor-, and bromapatite

Energy Technology Data Exchange (ETDEWEB)

Cruz, Fernando J.A.L. [Centro de Quimica Estrutural, Complexo Interdisciplinar, Instituto Superior Tecnico 1049-001 Lisbon (Portugal); Minas da Piedade, Manuel E. [Departamento de Quimica e Bioquimica, Faculdade de Ciencias, Universidade de Lisboa, 1749-016 Lisbon (Portugal); Calado, Jorge C.G. [Centro de Quimica Estrutural, Complexo Interdisciplinar, Instituto Superior Tecnico 1049-001 Lisbon (Portugal)]. E-mail: jcalado@ist.utl.pt

2005-10-15

The standard (p{sup 0} =0.1MPa) molar enthalpies of formation in the crystalline state of hydroxyapatite, chlorapatite and a preliminary value for bromapatite, at T=298.15K, were determined by reaction-solution calorimetry as: {delta}{sub f}H{sub m}{sup 0} [Ca{sub 10}(PO{sub 4}){sub 6}(OH){sub 2},cr]=-(13399+/-11)kJ.mol{sup -1},{delta}{sub f}H{sub m}{sup 0} [Ca{sub 10}(PO{sub 4}){sub 6}Cl{sub 2},cr]=-(13231+/-82)kJ.mol{sup -1},and{delta}{sub f}H{sub m}{sup 0} [Ca{sub 10}(PO{sub 4}){sub 6}Br{sub 2},cr]=-(13063+/-81)kJ.mol{sup -1}. A critical assessment of these results and of previously published data is made. Finally, the standard molar enthalpy of formation of iodapatite is estimated as {delta}{sub f}H{sub m}{sup 0} [Ca{sub 10}(PO{sub 4}){sub 6}I{sub 2},cr]=-12949kJ.mol{sup -1}, from a linear correlation of {delta}{sub f}H{sub m}{sup 0} [Ca{sub 10}(PO{sub 4}){sub 6}X{sub 2},cr] (X=OH, F, Cl, Br) against the corresponding {delta}{sub f}H{sub m}{sup 0} [CaX{sub 2},cr].

Comparison of high-latitude thermospheric meridional winds I: optical and radar experimental comparisons

Energy Technology Data Exchange (ETDEWEB)

Griffin, E.M.; Mueller-Wodarg, I.C.F.; Aruliah, A.; Aylward, A. [Atmospheric Physics Lab., Univ. Coll. London, London (United Kingdom)

2004-07-01

Thermospheric neutral winds at Kiruna, Sweden (67.4 N, 20.4 E) are compared using both direct optical fabry-perot interferometer (FPI) measurements and those derived from European incoherent scatter radar (EISCAT) measurements. This combination of experimental data sets, both covering well over a solar cycle of data, allows for a unique comparison of the thermospheric meridional component of the neutral wind as observed by different experimental techniques. Uniquely in this study the EISCAT measurements are used to provide winds for comparison using two separate techniques: the most popular method based on the work of Salah and Holt (1974) and the meridional wind model (MWM) (Miller et al., 1997) application of servo theory. The balance of forces at this location that produces the observed diurnal pattern are investigated using output from the coupled thermosphere and ionosphere (CTIM) numerical model. Along with detailed comparisons from short periods the climatological behaviour of the winds have been investigated for seasonal and solar cycle dependence using the experimental techniques. While there are features which are consistent between the 3 techniques, such as the evidence of the equinoctial asymmetry, there are also significant differences between the techniques both in terms of trends and absolute values. It is clear from this and previous studies that the high-latitude representation of the thermospheric neutral winds from the empirical horizontal wind model (HWM), though improved from earlier versions, lacks accuracy in many conditions. The relative merits of each technique are discussed and while none of the techniques provides the perfect data set to address model performance at high-latitude, one or more needs to be included in future HWM reformulations. (orig.)

Some studies of zonal and meridional wind characteristics at low latitude Indian stations

Science.gov (United States)

Nagpal, O. P.; Kumar, S.

1985-12-01

At the beginning of the Indian Middle Atmosphere Programme (IMAP), it was decided that the preparation of consolidation reports of already available parameters for the middle atmosphere would be useful. Atmospheric wind data obtained by rockets and balloons constituted one such parameter which had to be consolidated. The present paper summaries the results of this consolidation study. Both zonal and meridional components of winds at four low latitude Indian stations namely Thumba, Shar, Hyderabad, and Balasore, have been analyzed to yield reference wind profiles for each month. The montly mean values have been used to bring out the amplitudes and phases of the annual, semiannual and quasi-biennial oscillations.

Some studies of zonal and meridional wind characteristics at low latitude Indian stations

Science.gov (United States)

Nagpal, O. P.; Kumar, S.

1985-01-01

At the beginning of the Indian Middle Atmosphere Programme (IMAP), it was decided that the preparation of consolidation reports of already available parameters for the middle atmosphere would be useful. Atmospheric wind data obtained by rockets and balloons constituted one such parameter which had to be consolidated. The present paper summaries the results of this consolidation study. Both zonal and meridional components of winds at four low latitude Indian stations namely Thumba, Shar, Hyderabad, and Balasore, have been analyzed to yield reference wind profiles for each month. The montly mean values have been used to bring out the amplitudes and phases of the annual, semiannual and quasi-biennial oscillations.

Enthalpies of dilution of aqueous Li{sub 2}B{sub 4}O{sub 7} solutions at 298.15K and application of ion-interaction model

Energy Technology Data Exchange (ETDEWEB)

Yin Guoyin [Qinghai Institute of Salt Lakes, Chinese Academy of Sciences, Xining 810008 (China); Graduate School of Chinese Academy of Sciences, Beijing 100039 (China); Yao Yan [Qinghai Institute of Salt Lakes, Chinese Academy of Sciences, Xining 810008 (China) and Graduate School of Chinese Academy of Sciences, Beijing 100039 (China)]. E-mail: yaoy@isl.ac.cn; Jiao Baojuan [Department of Chemistry, Northwest University, Xi' an 710069 (China); Chen Sanping [Department of Chemistry, Northwest University, Xi' an 710069 (China); Gao Shengli [Department of Chemistry, Northwest University, Xi' an 710069 (China)

2005-09-15

The enthalpies of dilution have been measured for aqueous Li{sub 2}B{sub 4}O{sub 7} solutions from 0.0212 to 2.1530molkg{sup -1} at 298.15K. The relative apparent molar enthalpies, L{sub {phi}}, and relative partial molar enthalpies of the solvent and solute, L-bar{sub 1} and L-bar{sub 2} were calculated. The thermodynamic properties of the complex aqueous solutions were represented with a modified Pitzer ion-interaction model.

The gaseous enthalpy of formation of the ionic liquid 1-butyl-3-methylimidazolium dicyanamide from combustion calorimetry, vapor pressure measurements, and ab initio calculations.

Science.gov (United States)

Emel'yanenko, Vladimir N; Verevkin, Sergey P; Heintz, Andreas

2007-04-04

Ionic liquids are attracting growing interest as alternatives to conventional molecular solvents. Experimental values of vapor pressure, enthalpy of vaporization, and enthalpy of formation of ionic liquids are the key thermodynamic quantities, which are required for the validation and development of the molecular modeling and ab initio methods toward this new class of solvents. In this work, the molar enthalpy of formation of the liquid 1-butyl-3-methylimidazolium dicyanamide, 206.2 +/- 2.5 kJ.mol-1, was measured by means of combustion calorimetry. The molar enthalpy of vaporization of 1-butyl-3-methylimidazolium dicyanamide, 157.2 +/- 1.1 kJ.mol-1, was obtained from the temperature dependence of the vapor pressure measured using the transpiration method. The latter method has been checked with measurements of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide, where data are available from the effusion technique. The first experimental determination of the gaseous enthalpy of formation of the ionic liquid 1-butyl-3-methylimidazolium dicyanamide, 363.4 +/- 2.7 kJ.mol-1, from thermochemical measurements (combustion and transpiration) is presented. Ab initio calculations of the enthalpy of formation in the gaseous phase have been performed for 1-butyl-3-methylimidazolium dicyanamide using the G3MP2 theory. Excellent agreement with experimental results has been observed. The method developed opens a new way to obtain thermodynamic properties of ionic liquids which have not been available so far.

Making sense of enthalpy of vaporization trends for ionic liquids: new experimental and simulation data show a simple linear relationship and help reconcile previous data.

Science.gov (United States)

Verevkin, Sergey P; Zaitsau, Dzmitry H; Emel'yanenko, Vladimir N; Yermalayeu, Andrei V; Schick, Christoph; Liu, Hongjun; Maginn, Edward J; Bulut, Safak; Krossing, Ingo; Kalb, Roland

2013-05-30

Vaporization enthalpy of an ionic liquid (IL) is a key physical property for applications of ILs as thermofluids and also is useful in developing liquid state theories and validating intermolecular potential functions used in molecular modeling of these liquids. Compilation of the data for a homologous series of 1-alkyl-3-methylimidazolium bis(trifluoromethane-sulfonyl)imide ([C(n)mim][NTf2]) ILs has revealed an embarrassing disarray of literature results. New experimental data, based on the concurring results from quartz crystal microbalance, thermogravimetric analyses, and molecular dynamics simulation have revealed a clear linear dependence of IL vaporization enthalpies on the chain length of the alkyl group on the cation. Ambiguity of the procedure for extrapolation of vaporization enthalpies to the reference temperature 298 K was found to be a major source of the discrepancies among previous data sets. Two simple methods for temperature adjustment of vaporization enthalpies have been suggested. Resulting vaporization enthalpies obey group additivity, although the values of the additivity parameters for ILs are different from those for molecular compounds.

Low-temperature heat capacities and standard molar enthalpy of formation of N-methylnorephedrine C211H17NO(s)

Institute of Scientific and Technical Information of China (English)

Di You-Ying; Wang Da-Qi; Shi Quan; Tan Zhi-Cheng

2008-01-01

This paper reports that low-temperature heat capacities of N-methylnorephedrine C11H17NO(s) have been mea- sured by a precision automated adiabatic calorimeter over the temperature range from T=78 K to T=400 K. A solid to liquid phase transition of the compound was found in the heat capacity curve in the temperature range of T=342- 364 K. The peak temperature, molar enthalpy and entropy of fusion of the substance were determined. The experimental values of the molar heat capacities in the temperature regions of T=78-342 K and T=364-400 K were fitted to two poly- nomial equations of heat capacities with the reduced temperatures by least squares method. The smoothed molar heat capacities and thermodynamic functions of N-methylnorephedrine C11H17NO(s) relative to the standard refer- ence temperature 298.15 K were calculated based on the fitted polynomials and tabulated with an interval of 5 K. The constant-volume energy of combustion of the compound at T=298.15 K was measured by means of an isoperibol preci- sion oxygen-bomb combustion calorimeter. The standard molar enthalpy of combustion of the sample was calculated. The standard molar enthalpy of formation of the compound was determined from the combustion enthalpy and other auxiliary thermodynamic data through a Hess thermochemical cycle.

Vapor pressures and standard molar enthalpies, entropies and Gibbs energies of sublimation of two hexachloro herbicides using a TG unit

International Nuclear Information System (INIS)

Vecchio, Stefano

2010-01-01

The vapor pressures above the solid hexachlorobenzene (HCB) and above both the solid and liquid 1,2,3,4,5,6-hexachlorocyclohexane (lindane) were determined in the ranges 332-450 K and 347-429 K, respectively, by measuring the mass loss rates recorded by thermogravimetry under both isothermal and nonisothermal conditions. The results obtained were compared with those taken from literature. From the temperature dependence of vapor pressure derived by the experimental thermogravimetry data the molar enthalpies of sublimation Δ cr g H m o ( ) were selected for HCB and lindane as well as the molar enthalpy of vaporization Δ l g H m o ( ) for lindane only, at the middle of the respective temperature intervals. The melting temperatures and the molar enthalpies of fusion Δ cr l H m o (T fus ) of lindane were measured by differential scanning calorimetry. Finally, the standard molar enthalpies of sublimation Δ cr g H m o (298.15 K) were obtained for both chlorinated compounds at the reference temperature of 298.15 K using the Δ cr g H m o ( ), Δ l g H m o ( ) and Δ cr l H m o (T fus ) values, as well as the heat capacity differences between gas and liquid and the heat capacity differences between gas and solid, Δ l g C p,m o and Δ cr g C p,m o , respectively, both estimated by applying a group additivity procedure. Therefore, the averages of the standard (p o = 0.1 MPa) molar enthalpies, entropies and Gibbs energies of sublimation at 298.15 K, have been derived.

The Atlantic Meridional Transect: Spatially Extensive Calibration and Validation of Optical Properties and Remotely Sensed Measurements of Ocean Colour

Science.gov (United States)

Aiken, James; Hooker, Stanford

1997-01-01

Twice a year, the Royal Research Ship (RRS) James Clark Ross (JCR) steams a meridional transect of the atlantic Ocean between Grimsly (UK) and Stanley (Falkland Islands) with a port call in Montevideo (Uruguay), as part of the annual research activities of the British Antarctic Survey (BAS). In September, the JCR sails from the UK, and the following April it makes the return trip. The ship is operated by the BAS for the Natural Environment Research Council (NERC). The Atlantic Meridional Transect (AMT) Program exploits the passage of the JCR from approximately 50 deg. N to 50 deg. S with a primary objective to investigate physical and biological processes, as well as to measure the mesi-to-basin-scale bio-optical properties of the atlantic Ocean. The calibration and validation of remotely sensed observations of ocean colour is an inherent objective of these studies: first, by relating in situ measurements of water leaving radiance to satellite measurement, and second, by measuring the bio-optically active constituents of the water.

Study of the distributions of flow rate and enthalpy in the sub-channels of a bundle geometry of nuclear reactors in one and two-phase flow

International Nuclear Information System (INIS)

Bayoumi, M.A.A.

1976-10-01

A bibliographic study shows that the experimental studies examined, have been developed to understand the phenomenon acting on the mixing between the sub-channels of which geometries are such these of rod bundles used in some nuclear reactors. Experimental devices and tests have been developed to study the influence of the following parameters, operating conditions, pressure, flow rate, power brought to the bundle and inlet temperature on the distribution of flow rates and vapor content among the different sub-channels. By means of non isokinetic sampling, one has determined the enthalpy of the fluid participating to the mixing between the communicating sub-channels and it has been shown that the value of this enthalpy depends strongly on the type of fluid flow and that this enthalpy cannot be either the enthalpy of one of the two sub-channels, nor (always) an average of these two enthalpies. The experimental results have been compared with calculations developed with the code FLICA, concerning the mass velocity distribution, the exchange term of linear momentum, and the variation of the transversal enthalpy with regard to the type of fluid flow. A study of local void ratio measurement, by means of optical probes, has been proposed. The present study has been carried out with a smooth geometry [fr

Características clínicas da doença diarréica em lactentes na Zona da Mata Meridional do estado de Pernambuco Clinical characteristics of diarrheal disease in suckling children in the Zona da Mata Meridional in the State of Pernambuco

Directory of Open Access Journals (Sweden)

Giselia Alves Pontes da Silva

2002-12-01

Full Text Available OBJETIVOS: descrever as características clínicas dos episódios diarréicos apresentados por um grupo de crianças residentes na Zona da Mata Meridional do estado de Pernambuco nos primeiros seis meses de vida. MÉTODOS: o desenho do estudo é uma série de casos dele fazem parte todas as crianças acompanhadas dentro de um estudo de coorte realizado em quatro cidades da Zona da Mata Meridional do estado de Pernambuco e que durante o período de observação apresentaram pelo menos um episódio de doença diarréica. RESULTADOS: foram acompanhados 264 episódios de doença diarréica, que ocorreram em 239 crianças. A duração dos episódios variou entre um e 31 dias, sendo a mediana de dois dias e a moda de um dia. Um total de 93,5% dos episódios se auto-limitou em até sete dias. A maioria das crianças apresentou um episódio de diarréia durante o período de observação. Houve necessidade de hospitalização em 18 episódios (6,8%. Não foi observado nenhum óbito. CONCLUSÕES: a evolução clínica da doença diarréica quando estudada na comunidade é benigna, com episódios diarréicos de curta duração e levando a baixos índices de hospitalização.OBJECTIVES: to describe clinical characteristics of diarrhea episodes in a group of children residing in the Zona da Mata Meridional in the State of Pernambuco during the first six months of life. METHODS: the study's design is a case series comprising all children followed-up within a cohort study accomplished in four cities of the Zona da Mata Meridional of the State of Pernambuco who during observation had at least one episode of diarrheal disease. RESULTS: 264 episodes of diarrhea were followed-up in 239 children. The episodes lasted between one and 31 days, with the median of two days and the mode of one day. 93,5% of the episodes were self-limited to seven days. The majority of the children had one diarrhea episode during observation. Hospitalization was required in 18 episodes

Enthalpy increment measurements of NaCrO2 using a high temperature Calvet calorimeter

International Nuclear Information System (INIS)

Iyer, V.S.; Jayanthi, K.; Ramarao, G.A.; Venugopal, V.; Sood, D.D.

1991-01-01

Enthalpy increment measurements on NaCrO 2 (s) were carried out in the temperature range 323 to 839 K using a high temperature Calvet micro calorimeter. The enthalpy increment values were least-squares fitted with temperature with the constraint that (Hdeg T - Hdeg 298 ) at 298.18 K equals zero, and can be given by: (Hdeg T - Hdeg 298 ) J/mol) ± 336 = -23515 + 75.364T(K) + 0.01256T 2 (K) (323 to 839 K). The first differential of the above equation with temperature gives the constant pressure molar heat capacity of NaCrO 2 (s), which is given by: Cdeg p (NaCrO 2 , s, T) (J/K mol) = 75.364 + 0.02512T(K). The thermal properties of NaCrO 2 (s) were calculated using the molar heat capacities from the present study and Sdeg(298 K) from the literature. (orig.)

A multimodel comparison of centennial Atlantic meridional overturning circulation variability

Energy Technology Data Exchange (ETDEWEB)

Menary, Matthew B.; Vellinga, Michael; Palmer, Matthew D. [Met Office Hadley Centre, Exeter, Devon (United Kingdom); Park, Wonsun; Latif, Mojib [IFM-GEOMAR, Leibniz-Institut fuer Meereswissenschaften, Kiel (Germany); Lohmann, Katja; Jungclaus, Johann H. [Max Planck Inst Meteorol, Hamburg (Germany)

2012-06-15

A mechanism contributing to centennial variability of the Atlantic Meridional Overturning Circulation (AMOC) is tested with multi-millennial control simulations of several coupled general circulation models (CGCMs). These are a substantially extended integration of the 3rd Hadley Centre Coupled Climate Model (HadCM3), the Kiel Climate Model (KCM), and the Max Plank Institute Earth System Model (MPI-ESM). Significant AMOC variability on time scales of around 100 years is simulated in these models. The centennial mechanism links changes in the strength of the AMOC with oceanic salinities and surface temperatures, and atmospheric phenomena such as the Intertropical Convergence Zone (ITCZ). 2 of the 3 models reproduce all aspects of the mechanism, with the third (MPI-ESM) reproducing most of them. A comparison with a high resolution paleo-proxy for Sea Surface Temperatures (SSTs) north of Iceland over the last 4,000 years, also linked to the ITCZ, suggests that elements of this mechanism may also be detectable in the real world. (orig.)

Meridional Modes and Increasing Pacific Decadal Variability Under Anthropogenic Forcing

Science.gov (United States)

Liguori, Giovanni; Di Lorenzo, Emanuele

2018-01-01

Pacific decadal variability has strong impacts on the statistics of weather, atmosphere extremes, droughts, hurricanes, marine heatwaves, and marine ecosystems. Sea surface temperature (SST) observations show that the variance of the El Niño-like decadal variability has increased by 30% (1920-2015) with a stronger coupling between the major Pacific climate modes. Although we cannot attribute these trends to global climate change, the examination of 30 members of the Community Earth System Model Large Ensemble (LENS) forced with the RCP8.5 radiative forcing scenario (1920-2100) suggests that significant anthropogenic trends in Pacific decadal variance will emerge by 2020 in response to a more energetic North Pacific Meridional Mode (PMM)—a well-known El Niño precursor. The PMM is a key mechanism for energizing and coupling tropical and extratropical decadal variability. In the LENS, the increase in PMM variance is consistent with an intensification of the winds-evaporation-SST thermodynamic feedback that results from a warmer mean climate.

Enthalpy of dilution and volumetric properties of N-glycylglycine in aqueous xylitol solutions at T = 298.15 K

Energy Technology Data Exchange (ETDEWEB)

Liu Min, E-mail: panpanliumin@163.co [College of Chemistry and Chemical Engineering, Liao Cheng University, Liaocheng, Shandong 252059 (China); Wang Lili; Li Guangqian; Dong Lina; Sun Dezhi [College of Chemistry and Chemical Engineering, Liao Cheng University, Liaocheng, Shandong 252059 (China); Zhu Lanying [College of Life Science and Bioengineering, Liao Cheng University, Liaocheng, Shandong 252059 (China); Di Youying [College of Chemistry and Chemical Engineering, Liao Cheng University, Liaocheng, Shandong 252059 (China)

2011-06-15

Highlights: Enthalpies of dilution of N-glycylglycine in aqueous xylitol solutions were determined at 298.15 K. The homogeneous enthalpic interaction coefficients were calculated. Apparent molar volumes of the ternary systems were calculated from the data of densities. Limiting partial molar volumes and limiting partial molar volumes of transfer were deduced. - Abstract: The enthalpy of dilution of N-glycylglycine ({Delta}{sub dil}H{sub m}) in aqueous xylitol solutions has been determined by means of flow-mix isothermal microcalorimetry at the temperature of 298.15 K. The homogeneous enthalpic interaction coefficients (h{sub 2}, h{sub 3}, and h{sub 4}) which characterize the interactions of examined N-glycylglycine in aqueous xylitol solutions have been calculated according to the excess enthalpy concept based on the values of dilution enthalpy. It has been found that the enthalpic pair interaction coefficients (h{sub 2}) in the systems investigated are negative and become less negative as the molality of xylitol increases. Values of the density ({rho}) of the ternary homogeneous systems were also measured with a quartz vibrating-tube densimeter at the temperature of 298.15 K. The values of the apparent molar volume (V{sub {phi}}) of the ternary systems were calculated from the data of density, which have been used to deduce limiting partial molar volumes of N-glycylglycine (V{sub {phi}}{sup o}) and limiting partial molar volumes of transfer ({Delta}{sub trs}V{sub {phi}}{sup o}) from water to aqueous xylitol solutions at different concentrations. The results have been discussed based on solute-solute interactions and solvation effects.

Enthalpy of dilution and volumetric properties of N-glycylglycine in aqueous xylitol solutions at T = 298.15 K

International Nuclear Information System (INIS)

Liu Min; Wang Lili; Li Guangqian; Dong Lina; Sun Dezhi; Zhu Lanying; Di Youying

2011-01-01

Highlights: → Enthalpies of dilution of N-glycylglycine in aqueous xylitol solutions were determined at 298.15 K. → The homogeneous enthalpic interaction coefficients were calculated. → Apparent molar volumes of the ternary systems were calculated from the data of densities. → Limiting partial molar volumes and limiting partial molar volumes of transfer were deduced. - Abstract: The enthalpy of dilution of N-glycylglycine (Δ dil H m ) in aqueous xylitol solutions has been determined by means of flow-mix isothermal microcalorimetry at the temperature of 298.15 K. The homogeneous enthalpic interaction coefficients (h 2 , h 3 , and h 4 ) which characterize the interactions of examined N-glycylglycine in aqueous xylitol solutions have been calculated according to the excess enthalpy concept based on the values of dilution enthalpy. It has been found that the enthalpic pair interaction coefficients (h 2 ) in the systems investigated are negative and become less negative as the molality of xylitol increases. Values of the density (ρ) of the ternary homogeneous systems were also measured with a quartz vibrating-tube densimeter at the temperature of 298.15 K. The values of the apparent molar volume (V φ ) of the ternary systems were calculated from the data of density, which have been used to deduce limiting partial molar volumes of N-glycylglycine (V φ o ) and limiting partial molar volumes of transfer (Δ trs V φ o ) from water to aqueous xylitol solutions at different concentrations. The results have been discussed based on solute-solute interactions and solvation effects.

Low-temperature heat capacity and standard molar enthalpy of formation of 9-fluorenemethanol (C14H12O)

International Nuclear Information System (INIS)

Di, You-Ying; Tan, Zhi-Cheng.; Sun, Xiao-Hong; Wang, Mei-Han; Xu, Fen; Liu, Yuan-Fa; Sun, Li-Xian; Zhang, Hong-Tao

2004-01-01

Low-temperature heat capacities of the 9-fluorenemethanol (C 14 H 12 O) have been precisely measured with a small sample automatic adiabatic calorimeter over the temperature range between T=78 K and T=390 K. The solid-liquid phase transition of the compound has been observed to be T fus =(376.567±0.012) K from the heat-capacity measurements. The molar enthalpy and entropy of the melting of the substance were determined to be Δ fus H m =(26.273±0.013) kJ · mol -1 and Δ fus S m =(69.770±0.035) J · K -1 · mol -1 . The experimental values of molar heat capacities in solid and liquid regions have been fitted to two polynomial equations by the least squares method. The constant-volume energy and standard molar enthalpy of combustion of the compound have been determined, Δ c U(C 14 H 12 O, s)=-(7125.56 ± 4.62) kJ · mol -1 and Δ c H m compfn (C 14 H 12 O, s)=-(7131.76 ± 4.62) kJ · mol -1 , by means of a homemade precision oxygen-bomb combustion calorimeter at T=(298.15±0.001) K. The standard molar enthalpy of formation of the compound has been derived, Δ f H m compfn (C 14 H 12 O,s)=-(92.36 ± 0.97) kJ · mol -1 , from the standard molar enthalpy of combustion of the compound in combination with other auxiliary thermodynamic quantities through a Hess thermochemical cycle

Does δ18O of O2 record meridional shifts in tropical rainfall?

Science.gov (United States)

Seltzer, Alan M.; Buizert, Christo; Baggenstos, Daniel; Brook, Edward J.; Ahn, Jinho; Yang, Ji-Woong; Severinghaus, Jeffrey P.

2017-10-01

Marine sediments, speleothems, paleo-lake elevations, and ice core methane and δ18O of O2 (δ18Oatm) records provide ample evidence for repeated abrupt meridional shifts in tropical rainfall belts throughout the last glacial cycle. To improve understanding of the impact of abrupt events on the global terrestrial biosphere, we present composite records of δ18Oatm and inferred changes in fractionation by the global terrestrial biosphere (ΔɛLAND) from discrete gas measurements in the WAIS Divide (WD) and Siple Dome (SD) Antarctic ice cores. On the common WD timescale, it is evident that maxima in ΔɛLAND are synchronous with or shortly follow small-amplitude WD CH4 peaks that occur within Heinrich stadials 1, 2, 4, and 5 - periods of low atmospheric CH4 concentrations. These local CH4 maxima have been suggested as markers of abrupt climate responses to Heinrich events. Based on our analysis of the modern seasonal cycle of gross primary productivity (GPP)-weighted δ18O of terrestrial precipitation (the source water for atmospheric O2 production), we propose a simple mechanism by which ΔɛLAND tracks the centroid latitude of terrestrial oxygen production. As intense rainfall and oxygen production migrate northward, ΔɛLAND should decrease due to the underlying meridional gradient in rainfall δ18O. A southward shift should increase ΔɛLAND. Monsoon intensity also influences δ18O of precipitation, and although we cannot determine the relative contributions of the two mechanisms, both act in the same direction. Therefore, we suggest that abrupt increases in ΔɛLAND unambiguously imply a southward shift of tropical rainfall. The exact magnitude of this shift, however, remains under-constrained by ΔɛLAND.

Does δ18O of O2 record meridional shifts in tropical rainfall?

Directory of Open Access Journals (Sweden)

A. M. Seltzer

2017-10-01

Full Text Available Marine sediments, speleothems, paleo-lake elevations, and ice core methane and δ18O of O2 (δ18Oatm records provide ample evidence for repeated abrupt meridional shifts in tropical rainfall belts throughout the last glacial cycle. To improve understanding of the impact of abrupt events on the global terrestrial biosphere, we present composite records of δ18Oatm and inferred changes in fractionation by the global terrestrial biosphere (ΔεLAND from discrete gas measurements in the WAIS Divide (WD and Siple Dome (SD Antarctic ice cores. On the common WD timescale, it is evident that maxima in ΔεLAND are synchronous with or shortly follow small-amplitude WD CH4 peaks that occur within Heinrich stadials 1, 2, 4, and 5 – periods of low atmospheric CH4 concentrations. These local CH4 maxima have been suggested as markers of abrupt climate responses to Heinrich events. Based on our analysis of the modern seasonal cycle of gross primary productivity (GPP-weighted δ18O of terrestrial precipitation (the source water for atmospheric O2 production, we propose a simple mechanism by which ΔεLAND tracks the centroid latitude of terrestrial oxygen production. As intense rainfall and oxygen production migrate northward, ΔεLAND should decrease due to the underlying meridional gradient in rainfall δ18O. A southward shift should increase ΔεLAND. Monsoon intensity also influences δ18O of precipitation, and although we cannot determine the relative contributions of the two mechanisms, both act in the same direction. Therefore, we suggest that abrupt increases in ΔεLAND unambiguously imply a southward shift of tropical rainfall. The exact magnitude of this shift, however, remains under-constrained by ΔεLAND.

A compilation of correlation parameters for predicting the enthalpy and thermal conductivity of solid foods within the temperature range of -40 C to +40 C

Energy Technology Data Exchange (ETDEWEB)

Amos, N.D. [Comvita New Zealand Limited, Private Bag 1, Te Puke 3153 (New Zealand); Willix, J.; North, M.F. [AgResearch Limited, MIRINZ Centre, Ruakura Campus, East Street, Private Bag 3123, Hamilton (New Zealand); Chadderton, T. [Crop and Food Research Ltd, PO Box 5114, Nelson (New Zealand)

2008-11-15

This paper presents thermal conductivity data for 40 foods, enthalpy data for 58 foods and density data for nine foods, along with the compositions of the foods. Measurements cover a range of solid food types (including meats, fats, offal, fish, dairy products and horticultural products). Some measurements reported are for foods that have never before been studied, others have been published elsewhere, but are included here for convenience. Thermal conductivity was measured using a guarded hot-plate apparatus, enthalpy using an adiabatic calorimeter and density using a water displacement meter. Thermal conductivity and enthalpy values were measured within the temperature range of -40 C to +40 C. (author) [French] Cette publication presente des donnes sur la conductivite thermique, l'enthalpie et la densite respectivement de 40, 58 et 9 produits alimentaires, ainsi que leurs compositions. Les mesures couvrent une variete de types de produits alimentaires (viande, matieres grasses, abats, poisson, produits laitiers, produits horticoles). Certaines sont rapportees pour des produits qui n 'ant jamais ete etudie auparavant, d'autres ant ete publie ailleurs mais sont aussi inclues pour plus de commodite. La conductivite thermique a ete mesure avec un appareil a plaque electrique protegee, l'enthalpie avec un calorimetre adiabatique et la densite avec un appareil mesurant Ie deplacement d'eau. La conductivite thermique et l'enthalpie ont ete toutes les mesures pour une fourchette de temperatures allant de -40 C a 40 C. (orig.)

Enthalpies of formation of Cd0.917Sr0.083, Cd0.857Sr0.143 and Cd0.667Sr0.333 intermetallic compounds

International Nuclear Information System (INIS)

Agarwal, Renu; Singh, Ziley

2008-01-01

Cadmium is expected to be the solvent for pyrochemical processing of the metallic nuclear fuel. Therefore, thermodynamic properties of cadmium with various fuel and clad elements are of interest. Enthalpies of formation of the intermetallic compounds of Cd-Sr system, Cd 0.917 Sr 0.083 , Cd 0.857 Sr 0.143 and Cd 0.667 Sr 0.333 were determined by precipitation using Calvet calorimeter. Enthalpies of formation of the compounds were found to be -3.05 ± 0.5 kJ mol -1 at 723 K, -14.2 ± 0.7 kJ mol -1 at 843 K and -28.4 ± 0.8 kJ mol -1 at 863 K, respectively. Enthalpies of formation of Cd 0.917 Sr 0.083 and Cd 0.857 Sr 0.143 were also determined by partial enthalpy of formation measurements and the values were found to be -3.9 ± 1.1 kJ mol -1 at 723 K and -13.42 ± 1.2 kJ mol -1 at 843 K, respectively. Miedema model was used to estimate the enthalpies of formation of these compounds and the estimated values were compared with the experimentally determined values

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

Science.gov (United States)

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.

The thermodynamic properties of the upper continental crust: Exergy, Gibbs free energy and enthalpy

International Nuclear Information System (INIS)

Valero, Alicia; Valero, Antonio; Vieillard, Philippe

2012-01-01

This paper shows a comprehensive database of the thermodynamic properties of the most abundant minerals of the upper continental crust. For those substances whose thermodynamic properties are not listed in the literature, their enthalpy and Gibbs free energy are calculated with 11 different estimation methods described in this study, with associated errors of up to 10% with respect to values published in the literature. Thanks to this procedure we have been able to make a first estimation of the enthalpy, Gibbs free energy and exergy of the bulk upper continental crust and of each of the nearly 300 most abundant minerals contained in it. Finally, the chemical exergy of the continental crust is compared to the exergy of the concentrated mineral resources. The numbers obtained indicate the huge chemical exergy wealth of the crust: 6 × 10 6 Gtoe. However, this study shows that approximately only 0.01% of that amount can be effectively used by man.

Synthesis and characterization of meridional isomer of uns-cis-(ethylenediamine-N-N'-di-3-propionato-(S-norleucinatocobalt(III semihydrate

Directory of Open Access Journals (Sweden)

SRECKO R. TRIFUNOVIC

2000-07-01

Full Text Available The meridional geometrical isomer of uns-cis-(ethylenediamine-N-N'-di-3-propionato(S-norleucinatocobalt(III complex has been prepared by the reaction of sodium uns-cis-(ethylenediamine-N-N'-di-3-propionato(carbonatocobaltate(III with S-norleucine at 75°C. The complex was isolated choromatographically and characterized by elemental analyses, electron absorption and infrared spectroscopy.

Enthalpy of mixing and heat of vaporization of ethyl acetate with benzene and toluene at 298.15 k and 308.15 k

Directory of Open Access Journals (Sweden)

K. L. Shivabasappa

2008-03-01

Full Text Available The present work was carried out in two phases. First, enthalpy of mixing was measured and then the heat of vaporization for the same mixtures was obtained. The data are useful in the design of separation equipments. From the various designs available for the experimental determination of enthalpy of mixing, and heat of vaporization, the apparatus was selected, modified and constructed. The apparatus of enthalpy of mixing was tested with a known system Benzene - i-Butyl Alcohol and the data obtained was in very good agreement with literature values. Experiments were then conducted for mixtures of Ethyl Acetate with Benzene and Toluene. The experimental data was fitted to the standard correlations and the constants were evaluated. Heat of vaporization data were obtained from a static apparatus and tested for accuracy by conducting experiments with a known system Benzene - n-Hexane and the data obtained were found to be in agreement with literature values. Experiments were then conducted to measure heat of vaporization for the mixtures of Ethyl Acetate with Benzene and Toluene. Using experimental data of enthalpy of mixing from the first phase, and heat capacity data, the heat of vaporization were calculated.

Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates

Czech Academy of Sciences Publication Activity Database

Krasnykh, E. L.; Verevkin, S. P.; Koutek, Bohumír; Doubský, Jan

2006-01-01

Roč. 38, č. 6 (2006), s. 717-723 ISSN 0021-9614 Institutional research plan: CEZ:AV0Z40550506 Keywords : aliphatic acetates * transpiration method * vapour pressure * enthalpy of vaporization Subject RIV: CC - Organic Chemistry Impact factor: 1.842, year: 2006

Liquid-Liquid Equilibrium and Excess Enthalpies in the Binary System 2-Methylpentane + N,N-Dimethylformamide

Czech Academy of Sciences Publication Activity Database

Bendová, Magdalena; Řehák, K.; Matouš, J.; Novák, J. P.

2004-01-01

Roč. 49, č. 5 (2004), s. 1318-1322 ISSN 0021-9568 Institutional research plan: CEZ:AV0Z4072921 Keywords : liquid-liquid equilibrium * excess enthalpies * thermodynamic models Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.368, year: 2004

Method of determining the enthalpy and moisture content of wet steam

International Nuclear Information System (INIS)

Silvestri, G.J. Jr.

1991-01-01

This patent describes a nuclear powered multi-stage steam turbine system wherein steam at higher than atmospheric pressure is introduced into the turbine system at a high pressure turbine element and thereafter flows through a series of turbine elements at successively decreasing pressures, wherein portions of the steam are extracted from the turbine elements at a plurality of lower pressure points and the steam is finally exhausted at a lowest pressure point, the method of determining moisture content and enthalpy of steam at a selected pressure point. It comprises sampling a small quantity of steam at the selected pressure point; super heating the steam sample to a single-phase state by reducing its pressure and bottling it in a closed measuring chamber whereby the flow energy of the sample is converted into internal energy; measuring the pressure of the steam sample within the chamber; determining the sonic velocity of the steam sample by passing a sound wave through the sample from a transmitter to a receiver located at a known distance from the transmitter and measuring the time required for the sound wave to travel from transmitter to receiver; and utilizing the measured pressure and sonic velocity of the steam sample to calculate the moisture content and enthalpy of the steam at the selected pressure point

Configuration-specific synthesis of the facial and meridional isomers of tris(8-hydroxyquinolinate)aluminum (Alq3).

Science.gov (United States)

Katakura, Ryo; Koide, Yoshihiro

2006-07-24

Treatment of AlO(OH) with 3 equiv of 8-hydroxyquinolinol in refluxing deionized water provided the meridional and facial isomers of tris(8-hydroxyquinolinate)aluminum (Alq3) with good yields as solid deposits after 1 and 90 h, respectively. X-ray diffraction and solid-state 13C NMR studies revealed that mer-Alq3 is formed in the early stage of the reaction and then gradually converts to fac-Alq3, which is thermodynamically less stable, although no existence of a catalyst substance is implied.

The effect of a fourth element (Co, Cu, Fe, Pd) on the standard enthalpy of formation of the Heusler compound Ni{sub 2}MnSn

Energy Technology Data Exchange (ETDEWEB)

Yin, Ming, E-mail: myin1@hawk.iit.edu; Nash, Philip

2016-05-15

The standard enthalpies of formation of quaternary Heusler compounds (X, Ni){sub 2}MnSn (X = Co, Cu, Fe, Pd) were investigated experimentally using high temperature direct reaction calorimetry. Lattice parameters of these compounds were determined using X-ray diffraction analysis. Microstructures were identified using scanning electron microscopy and energy dispersive spectroscopy. The effect of an additional X element on the standard enthalpy of formation of the Heusler compound Ni{sub 2}MnSn is discussed. - Highlights: • Enthalpies of formation of (X,Ni){sub 2}YZ (X = Co, Cu, Fe, Pd) were measured by drop calorimeters. • Magnetic contribution to enthalpy of formation plays an important role. • Introducing a fourth element could stabilize an unstable Heusler structure. • Lattice parameters do not necessarily obey the Vegard's law. • It is possible to tailor properties of Heusler compounds with enough background information.

Outlook on principles for designing integrated and cascade use of low enthalpy geothermal energy in Albania

International Nuclear Information System (INIS)

Frasheri, Alfred

2000-01-01

In the countries of Western Europe, USA and Japan, the technologies of a new generation evolved to exploit high and low enthalpy geothermal sources and mineral waters. There are great experiences for modern complex exploitation of these resources, which increase natural wealth values, in European Community Countries. In Albania, rich in geothermal resources of low enthalpy and mineral waters, similar new technologies have been either partly developed or remain still untouched. Modern complex exploitation is very rare phenomena. Large numbers of geothermal energy of high and low enthalpy resources, a lot of mineral water sources and some CO 2 gas reservoirs represent the base for successfully application of modern technologies in Albania, to achieve economic effectively and success of complex exploitation. Actuality, there are many geothermal, hydrogeological, hydrochemical, biological and medical investigations and studies of thermal and mineral water resources carried out in Albania. Generally, these investigations and studies are separated each from the other. Their information and data will serve for studies and evaluations in Albania regional scale. These studies and evaluations are necessary to well know in regional plane the thermal and mineral water resources potential and geothermal market of the Albania. According to results of these new studies, the evaluation for the perspective level of the best areas in country will be necessary. After the evaluation is possible to start investments in these areas. These investments will be profitable in a short period of time. Integrated and cascade use of geothermal energy of low enthalpy it is important condition for profitable investment. In Albania, there are several geothermal energy sources that can be used. Such geothermal energy sources are natural thermal water springs and deep wells with a temperature of up to 65,5 o C. Deep abandoned oil wells can be used as 'Vertical Earth Heat Probe'. The integrated and

A Non-Isothermal Chemical Lattice Boltzmann Model Incorporating Thermal Reaction Kinetics and Enthalpy Changes

Directory of Open Access Journals (Sweden)

Stuart Bartlett

2017-08-01

Full Text Available The lattice Boltzmann method is an efficient computational fluid dynamics technique that can accurately model a broad range of complex systems. As well as single-phase fluids, it can simulate thermohydrodynamic systems and passive scalar advection. In recent years, it also gained attention as a means of simulating chemical phenomena, as interest in self-organization processes increased. This paper will present a widely-used and versatile lattice Boltzmann model that can simultaneously incorporate fluid dynamics, heat transfer, buoyancy-driven convection, passive scalar advection, chemical reactions and enthalpy changes. All of these effects interact in a physically accurate framework that is simple to code and readily parallelizable. As well as a complete description of the model equations, several example systems will be presented in order to demonstrate the accuracy and versatility of the method. New simulations, which analyzed the effect of a reversible reaction on the transport properties of a convecting fluid, will also be described in detail. This extra chemical degree of freedom was utilized by the system to augment its net heat flux. The numerical method outlined in this paper can be readily deployed for a vast range of complex flow problems, spanning a variety of scientific disciplines.

Kinetic evidence of an apparent negative activation enthalpy in an organocatalytic process

KAUST Repository

Han, Xiao

2013-08-30

A combined kinetic and computational study on our tryptophan-based bifunctional thiourea catalyzed asymmetric Mannich reactions reveals an apparent negative activation enthalpy. The formation of the pre-transition state complex has been unambiguously confirmed and these observations provide an experimental support for the formation of multiple hydrogen bonding network between the substrates and the catalyst. Such interactions allow the creation of a binding cavity, a key factor to install high enantioselectivity.

Using Enthalpy as a Prognostic Variable in Atmospheric Modelling with Variable Composition

Science.gov (United States)

2016-04-14

Sela, personal communication, 2005). These terms are also routinely neglected in models. In models with a limited number of gaseous tracers, such as...so-called energy- exchange term (second term on the left- hand side) in Equation (5). The finite-difference schemes in existing atmospheric models have...equation for the sum of enthalpy and kinetic energy of horizontal motion is solved. This eliminates the energy- exchange term and automatically

Kinetic evidence of an apparent negative activation enthalpy in an organocatalytic process

KAUST Repository

Han, Xiao; Lee, Richmond; Chen, Tao; Luo, Jie; Lu, Yixin; Huang, Kuo-Wei

2013-01-01

A combined kinetic and computational study on our tryptophan-based bifunctional thiourea catalyzed asymmetric Mannich reactions reveals an apparent negative activation enthalpy. The formation of the pre-transition state complex has been unambiguously confirmed and these observations provide an experimental support for the formation of multiple hydrogen bonding network between the substrates and the catalyst. Such interactions allow the creation of a binding cavity, a key factor to install high enantioselectivity.

Accuracy of the DLPNO-CCSD(T) method for non-covalent bond dissociation enthalpies from coinage metal cation complexes

KAUST Repository

Minenkov, Yury; Chermak, Edrisse; Cavallo, Luigi

2015-01-01

The performance of the domain based local pair-natural orbital coupled-cluster (DLPNO-CCSD(T)) method has been tested to reproduce the experimental gas phase ligand dissociation enthalpy in a series of Cu+, Ag+ and Au+ complexes. For 33 Cu+ - non-covalent ligand dissociation enthalpies all-electron calculations with the same method result in MUE below 2.2 kcal/mol, although a MSE of 1.4 kcal/mol indicates systematic underestimation of the experimental values. Inclusion of scalar relativistic effects for Cu either via effective core potential (ECP) or Douglass-Kroll-Hess Hamiltonian, reduces the MUE below 1.7 kcal/mol and the MSE to -1.0 kcal/mol. For 24 Ag+ - non-covalent ligand dissociation enthalpies the DLPNO-CCSD(T) method results in a mean unsigned error (MUE) below 2.1 kcal/mol and vanishing mean signed error (MSE). For 15 Au+ - non-covalent ligand dissociation enthalpies the DLPNO-CCSD(T) methods provides larger MUE and MSE, equal to 3.2 and 1.7 kcal/mol, which might be related to poor precision of the experimental measurements. Overall, for the combined dataset of 72 coinage metal ion complexes DLPNO-CCSD(T) results in a MUE below 2.2 kcal/mol and an almost vanishing MSE. As for a comparison with computationally cheaper density functional theory (DFT) methods, the routinely used M06 functional results in MUE and MSE equal to 3.6 and -1.7 kca/mol. Results converge already at CC-PVTZ quality basis set, making highly accurate DLPNO-CCSD(T) estimates to be affordable for routine calculations (single-point) on large transition metal complexes of > 100 atoms.

Accuracy of the DLPNO-CCSD(T) method for non-covalent bond dissociation enthalpies from coinage metal cation complexes

KAUST Repository

Minenkov, Yury

2015-08-27

The performance of the domain based local pair-natural orbital coupled-cluster (DLPNO-CCSD(T)) method has been tested to reproduce the experimental gas phase ligand dissociation enthalpy in a series of Cu+, Ag+ and Au+ complexes. For 33 Cu+ - non-covalent ligand dissociation enthalpies all-electron calculations with the same method result in MUE below 2.2 kcal/mol, although a MSE of 1.4 kcal/mol indicates systematic underestimation of the experimental values. Inclusion of scalar relativistic effects for Cu either via effective core potential (ECP) or Douglass-Kroll-Hess Hamiltonian, reduces the MUE below 1.7 kcal/mol and the MSE to -1.0 kcal/mol. For 24 Ag+ - non-covalent ligand dissociation enthalpies the DLPNO-CCSD(T) method results in a mean unsigned error (MUE) below 2.1 kcal/mol and vanishing mean signed error (MSE). For 15 Au+ - non-covalent ligand dissociation enthalpies the DLPNO-CCSD(T) methods provides larger MUE and MSE, equal to 3.2 and 1.7 kcal/mol, which might be related to poor precision of the experimental measurements. Overall, for the combined dataset of 72 coinage metal ion complexes DLPNO-CCSD(T) results in a MUE below 2.2 kcal/mol and an almost vanishing MSE. As for a comparison with computationally cheaper density functional theory (DFT) methods, the routinely used M06 functional results in MUE and MSE equal to 3.6 and -1.7 kca/mol. Results converge already at CC-PVTZ quality basis set, making highly accurate DLPNO-CCSD(T) estimates to be affordable for routine calculations (single-point) on large transition metal complexes of > 100 atoms.

'Downward control' of the mean meridional circulation and temperature distribution of the polar winter stratosphere

Science.gov (United States)

Garcia, Rolando R.; Boville, Byron A.

1994-01-01

According to the 'downward control' principle, the extratropical mean vertical velocity on a given pressure level is approximately proportional to the meridional gradient of the vertically integrated zonal force per unit mass exerted by waves above that level. In this paper, a simple numerical model that includes parameterizations of both planetary and gravity wave breaking is used to explore the influence of gravity wave breaking in the mesosphere on the mean meridional circulation and temperature distribution at lower levels in the polar winter stratosphere. The results of these calculations suggest that gravity wave drag in the mesosphere can affect the state of the polar winter stratosphere down to altitudes below 30 km. The effect is most important when planetary wave driving is relatively weak: that is, during southern winter and in early northern winter. In southern winter, downwelling weakens by a factor of 2 near the stratospause and by 20% at 30 km when gravity wave drag is not included in the calculations. As a consequence, temperatures decrease considerably throughout the polar winter stratosphere (over 20 K above 40 km and as much as 8 K at 30 km, where the effect is enhanced by the long radiative relaxation timescale). The polar winter states obtained when gravity wave drag is omitted in this simple model resemble the results of simulations with some general circulation models and suggest that some of the shortcomings of the latter may be due to a deficit in mesospheric momentum deposition by small-scale gravity waves.

Glass transition memorized by the enthalpy-entropy compensation in the shear thinning of supercooled metallic liquids

Science.gov (United States)

Zhang, Meng; Liu, Lin

2018-06-01

To unravel the true nature of glass transition, broader insights into glass forming have been gained by examining the stress-driven glassy systems, where strong shear thinning, i.e. a reduced viscosity under increasing shear rate, is encountered. It is argued that arbitrarily small stress-driven shear rates would ‘melt’ the glass and erase any memory of its thermal history. In this work, we report a glass transition memorized by the enthalpy-entropy compensation in strongly shear-thinned supercooled metallic liquids, which coincides with the thermal glass transition in both the transition temperature and the activation Gibbs free energy. Our findings provide distinctive insights into both glass forming and shear thinning, and enrich current knowledge on the ubiquitous enthalpy-entropy compensation empirical law in condensed matter physics.

Theoretical calculation of enthalpy of formation of multiconformational molecules: 1,2-ethanediol, propanediols, and glycerol

Science.gov (United States)

Dorofeeva, Olga V.; Suchkova, Taisiya A.

2018-04-01

The gas-phase enthalpies of formation of four molecules with high flexibility, which leads to the existence of a large number of low-energy conformers, were calculated with the G4 method to see whether the lowest energy conformer is sufficient to achieve high accuracy in the computed values. The calculated values were in good agreement with the experiment, whereas adding the correction for conformer distribution makes the agreement worse. The reason for this effect is a large anharmonicity of low-frequency torsional motions, which is ignored in the calculation of ZPVE and thermal enthalpy. It was shown that the approximate correction for anharmonicity estimated using a free rotor model is of very similar magnitude compared with the conformer correction but has the opposite sign, and thus almost fully compensates for it. Therefore, the common practice of adding only the conformer correction is not without problems.

Standard partial molar heat capacities and enthalpies of formation of aqueous aluminate under hydrothermal conditions from integral heat of solution measurements

International Nuclear Information System (INIS)

Coulier, Yohann; Tremaine, Peter R.

2014-01-01

Highlights: • Heats of solution of NaAlO 2 (s) were measured at five temperatures up to 250 °C. • Standard molar enthalpies of solution were determined from the measured heats of solution. • Standard molar enthalpies of solution were correlated with the density model. • The density model allows us to determine the standard molar heat capacities of reaction. - Abstract: Heats of solution of sodium aluminum oxide, NaAlO 2 (s), were measured in aqueous sodium hydroxide solutions using a Tian–Calvet heat-flow calorimeter (Setaram, Model C80) with high pressure “batch cells” made of hastelloy C-276, at five temperatures from (373.15 to 523.15) K, steam saturation pressure, and concentrations from (0.02 to 0.09) mol · kg −1 . Standard molar enthalpies of solution, Δ soln H ∘ , and relative standard molar enthalpies, [H ∘ (T) − H ∘ (298.15 K)], of NaAl(OH) 4 (aq) were determined from the measured heats of solution. The results were fitted with the “density” model. The temperature dependence of Δ soln H ∘ from the model yielded the standard molar heat capacities of reaction, Δ soln C p ∘ , from which standard partial molar heat capacities for aqueous aluminate, C p ∘ [A1(OH) 4 − ,aq], were calculated. Standard partial molar enthalpies of formation, Δ f H ∘ , and entropies, S ∘ , of A1(OH) 4 − (aq) were also determined. The values for C p ∘ [A1(OH) 4 − ,aq] agree with literature data determined up to T = 413 K from enthalpy of solution and heat capacity measurements to within the combined experimental uncertainties. They are consistent with differential heat capacity measurements up to T = 573 K from Schrödle et al. (2010) [29] using the same calorimeter, but this method has the advantage that measurements could be made at much lower concentrations in the presence of an excess concentration of ligand. To our knowledge, these are the first standard partial molar heat capacities measured under hydrothermal conditions by the

Air-Sea Momentum and Enthalpy Exchange in Coupled Atmosphere-Wave-Ocean Modeling of Tropical Cyclones

Science.gov (United States)

Curcic, M.; Chen, S. S.

2016-02-01

The atmosphere and ocean are coupled through momentum, enthalpy, and mass fluxes. Accurate representation of these fluxes in a wide range of weather and climate conditions is one of major challenges in prediction models. Their current parameterizations are based on sparse observations in low-to-moderate winds and are not suited for high wind conditions such as tropical cyclones (TCs) and winter storms. In this study, we use the Unified Wave INterface - Coupled Model (UWIN-CM), a high resolution, fully-coupled atmosphere-wave-ocean model, to better understand the role of ocean surface waves in mediating air-sea momentum and enthalpy exchange in TCs. In particular, we focus on the explicit treatment of wave growth and dissipation for calculating atmospheric and oceanic stress, and its role in upper ocean mixing and surface cooling in the wake of the storm. Wind-wave misalignment and local wave disequilibrium result in difference between atmospheric and oceanic stress being largest on the left side of the storm. We find that explicit wave calculation in the coupled model reduces momentum transfer into the ocean by more than 10% on average, resulting in reduced cooling in TC's wake and subsequent weakening of the storm. We also investigate the impacts of sea surface temperature and upper ocean parameterization on air-sea enthalpy fluxes in the fully coupled model. High-resolution UWIN-CM simulations of TCs with various intensities and structure are conducted in this study to better understand the complex TC-ocean interaction and improve the representation of air-sea coupling processes in coupled prediction models.

Enthalpy model for heating, melting, and vaporization in laser ablation

Directory of Open Access Journals (Sweden)

Vasilios Alexiades

2010-09-01

Full Text Available Laser ablation is used in a growing number of applications in various areas including medicine, archaeology, chemistry, environmental and materials sciences. In this work the heat transfer and phase change phenomena during nanosecond laser ablation of a copper (Cu target in a helium (He background gas at atmospheric pressure are presented. An enthalpy model is outlined, which accounts for heating, melting, and vaporization of the target. As far as we know, this is the first model that connects the thermodynamics and underlying kinetics of this challenging phase change problem in a self-consistent way.

Support of Publication Costs, Atlantic Meridional Overturning Circulation Special Issue of Deep Sea Research II Journal

Energy Technology Data Exchange (ETDEWEB)

Amy Honchar

2012-11-12

The contribution of funds from DOE supported publication costs of a special issue of Deep Sea Research arising from presentations at the First U.S. Atlantic Meridional Overturning Circulation (AMOC) Meeting held 4-6 May, 2009 to review the US implementation plan and its coordination with other monitoring activities. The special issue includes a total of 16 papers, including publications from three DOE-supported investigators (ie Sevellec, F., and A.V. Fedorov; Hu et. al., and Wan et. al.,). The special issue addresses DOE interests in understanding and simulation/modeling of abrupt climate change.

The relation between relaxed enthalpy and volume during physical aging of amorphous polymers and selenium

Czech Academy of Sciences Publication Activity Database

Slobodian, P.; Říha, Pavel; Rychwalski, R. W.; Emri, I.; Sáha, P.; Kubát, J.

2006-01-01

Roč. 42, č. 10 (2006), s. 2824-2837 ISSN 0014-3057 R&D Projects: GA AV ČR IAA2060401 Institutional research plan: CEZ:AV0Z20600510 Keywords : Enthalpy relaxation * Polymer aging Subject RIV: BJ - Thermodynamics Impact factor: 2.113, year: 2006

The Role of Reversed Equatorial Zonal Transport in Terminating an ENSO Event

Science.gov (United States)

Chen, H. C.; Hu, Z. Z.; Huang, B.; Sui, C. H.

2016-02-01

In this study, we demonstrate that a sudden reversal of anomalous equatorial zonal current at the peaking ENSO phase triggers the rapid termination of an ENSO event. Throughout an ENSO cycle, the anomalous equatorial zonal current is strongly controlled by the concavity of the anomalous thermocline meridional structure near the equator. During the ENSO developing phase, the anomalous zonal current in the central and eastern Pacific generally enhances the ENSO growth through its zonal SST advection. In the mature phase of ENSO, however, the equatorial thermocline depth anomalies are reflected in the eastern Pacific and slowly propagate westward off the equator in both hemispheres. As a result, the concavity of the thermocline anomalies near the equator is reversed, i.e., the off-equatorial thermocline depth anomalies become higher than that on the equator for El Niño events and lower for La Niño events. This meridional change of thermocline structure reverses zonal transport rapidly in the central-to-eastern equatorial Pacific, which weakens the ENSO SST anomalies by reversed advection. More importantly, the reversed zonal mass transport weakens the existing zonal tilting of equatorial thermocline and suppresses the thermocline feedback. Both processes are concentrated in the eastern equatorial Pacific and can be effective on subseasonal time scales. These current reversal effects are built-in to the ENSO peak phase and independent of the zonal wind effect on thermocline slope. It functions as an oceanic control on ENSO evolution during both El Niño and La Niña events.

Applicability of the theory of thermodynamic similarity to predict the enthalpies of vaporization of aliphatic aldehydes

Science.gov (United States)

Esina, Z. N.; Korchuganova, M. R.

2015-06-01

The theory of thermodynamic similarity is used to predict the enthalpies of vaporization of aliphatic aldehydes. The predicted data allow us to calculate the phase diagrams of liquid-vapor equilibrium in a binary water-aliphatic aldehyde system.

A Mixed Enthalpy-Temperature Finite Element Method For Generalized Phase-Change Problems

DEFF Research Database (Denmark)

krabbenhøft, Kristian; Damkilde, Lars

2003-01-01

In a large number of problems of engineering interest the transition of the material from one phase to another is of vital importance in describing the overall physical behaviour. Common applications include metal casting, freezing and thawing of foodstuffs and other biological materials, ground ...... freezing and solar energy storage. The phase-change problem is characterized by an abrupt change in enthalpy per unit temperature in a narrow temperature range around the freezing point....

A Mixed Enthalpy-Temperature Finite Element Method For Generalized Phase-Change Problems

DEFF Research Database (Denmark)

krabbenhøft, Kristian; Damkilde, Lars

2003-01-01

In a large number of problems of engineering interest the transition of the material from one phase to another is of vital importance in describing the overall physical behaviour. Common applications include metal casting, freezing and thawing of foodstuffs and other biological materials, ground...... freezing and solar energy storage. The phase-change problem is characterized by an abrupt change in enthalpy per unit temperature in a narrow temperature range around the freezing point....

Group additivity values for enthalpies of formation (298 K), entropies (298 K), and molar heat capacities (300 K < T < 1500 K) of gaseous fluorocarbons

International Nuclear Information System (INIS)

Van Otterloo, Maren K.; Girshick, Steven L.; Roberts, Jeffrey T.

2007-01-01

A group additivity method was developed to estimate standard enthalpies of formation and standard entropies at 298 K of linear radical and closed-shell, gaseous fluorocarbon neutrals containing four or more carbon atoms. The method can also be used to estimate constant pressure molar heat capacities of the same compounds over the temperature range 300 K to 1500 K. Seventeen groups and seven fluorine-fluorine interaction terms were defined from 12 fluorocarbon molecules. Interaction term values from Yamada and Bozzelli [T. Yamada, J.W. Bozzelli, J. Phys. Chem. A 103 (1999) 7373-7379] were utilized. The enthalpy of formation group values were derived from G3MP2 calculations by Bauschlicher and Ricca [C.W. Bauschlicher, A. Ricca, J. Phys. Chem. A 104 (2000) 4581-4585]. Standard entropy and molar heat capacity group values were estimated from ab initio geometry optimization and frequency calculations at the Hartree-Fock level using the 6-31G(d) basis set. Enthalpies of formation for larger fluorocarbons estimated from the group additivity method compare well to enthalpies of formation found in the literature

North Atlantic observations sharpen meridional overturning projections

Science.gov (United States)

Olson, R.; An, S.-I.; Fan, Y.; Evans, J. P.; Caesar, L.

2018-06-01

Atlantic Meridional Overturning Circulation (AMOC) projections are uncertain due to both model errors, as well as internal climate variability. An AMOC slowdown projected by many climate models is likely to have considerable effects on many aspects of global and North Atlantic climate. Previous studies to make probabilistic AMOC projections have broken new ground. However, they do not drift-correct or cross-validate the projections, and do not fully account for internal variability. Furthermore, they consider a limited subset of models, and ignore the skill of models at representing the temporal North Atlantic dynamics. We improve on previous work by applying Bayesian Model Averaging to weight 13 Coupled Model Intercomparison Project phase 5 models by their skill at modeling the AMOC strength, and its temporal dynamics, as approximated by the northern North-Atlantic temperature-based AMOC Index. We make drift-corrected projections accounting for structural model errors, and for the internal variability. Cross-validation experiments give approximately correct empirical coverage probabilities, which validates our method. Our results present more evidence that AMOC likely already started slowing down. While weighting considerably moderates and sharpens our projections, our results are at low end of previously published estimates. We project mean AMOC changes between periods 1960-1999 and 2060-2099 of -4.0 Sv and -6.8 Sv for RCP4.5 and RCP8.5 emissions scenarios respectively. The corresponding average 90% credible intervals for our weighted experiments are [-7.2, -1.2] and [-10.5, -3.7] Sv respectively for the two scenarios.

Reduced interdecadal variability of Atlantic Meridional Overturning Circulation under global warming.

Science.gov (United States)

Cheng, Jun; Liu, Zhengyu; Zhang, Shaoqing; Liu, Wei; Dong, Lina; Liu, Peng; Li, Hongli

2016-03-22

Interdecadal variability of the Atlantic Meridional Overturning Circulation (AMOC-IV) plays an important role in climate variation and has significant societal impacts. Past climate reconstruction indicates that AMOC-IV has likely undergone significant changes. Despite some previous studies, responses of AMOC-IV to global warming remain unclear, in particular regarding its amplitude and time scale. In this study, we analyze the responses of AMOC-IV under various scenarios of future global warming in multiple models and find that AMOC-IV becomes weaker and shorter with enhanced global warming. From the present climate condition to the strongest future warming scenario, on average, the major period of AMOC-IV is shortened from ∼50 y to ∼20 y, and the amplitude is reduced by ∼60%. These reductions in period and amplitude of AMOC-IV are suggested to be associated with increased oceanic stratification under global warming and, in turn, the speedup of oceanic baroclinic Rossby waves.

Reduced interdecadal variability of Atlantic Meridional Overturning Circulation under global warming

Science.gov (United States)

Cheng, Jun; Liu, Zhengyu; Zhang, Shaoqing; Liu, Wei; Dong, Lina; Liu, Peng; Li, Hongli

2016-01-01

Interdecadal variability of the Atlantic Meridional Overturning Circulation (AMOC-IV) plays an important role in climate variation and has significant societal impacts. Past climate reconstruction indicates that AMOC-IV has likely undergone significant changes. Despite some previous studies, responses of AMOC-IV to global warming remain unclear, in particular regarding its amplitude and time scale. In this study, we analyze the responses of AMOC-IV under various scenarios of future global warming in multiple models and find that AMOC-IV becomes weaker and shorter with enhanced global warming. From the present climate condition to the strongest future warming scenario, on average, the major period of AMOC-IV is shortened from ∼50 y to ∼20 y, and the amplitude is reduced by ∼60%. These reductions in period and amplitude of AMOC-IV are suggested to be associated with increased oceanic stratification under global warming and, in turn, the speedup of oceanic baroclinic Rossby waves. PMID:26951654

Eddy transport of water vapor in the Martian atmosphere

Science.gov (United States)

Murphy, J. R.; Haberle, Robert M.

1993-01-01

Viking orbiter measurements of the Martian atmosphere suggest that the residual north polar water-ice cap is the primary source of atmospheric water vapor, which appears at successively lower northern latitudes as the summer season progresses. Zonally symmetric studies of water vapor transport indicate that the zonal mean meridional circulation is incapable of transporting from north polar regions to low latitudes the quantity of water vapor observed. This result has been interpreted as implying the presence of nonpolar sources of water. Another possibility is the ability of atmospheric wave motions, which are not accounted for in a zonally symmetric framework, to efficiently accomplish the transport from a north polar source to the entirety of the Northern Hemisphere. The ability or inability of the full range of atmospheric motions to accomplish this transport has important implications regarding the questions of water sources and sinks on Mars: if the full spectrum of atmospheric motions proves to be incapable of accomplishing the transport, it strengthens arguments in favor of additional water sources. Preliminary results from a three dimensional atmospheric dynamical/water vapor transport numerical model are presented. The model accounts for the physics of a subliming water-ice cap, but does not yet incorporate recondensation of this sublimed water. Transport of vapor away from this water-ice cap in this three dimensional framework is compared with previously obtained zonally symmetric (two dimensional) results to quantify effects of water vapor transport by atmospheric eddies.

Experimental measurement of enthalpy increments of Th0.25Ce0.75O2

International Nuclear Information System (INIS)

Babu, R.; Balakrishnan, S.; Ananthasivan, K.; Nagarajan, K.

2013-01-01

Thorium has been suggested as an alternative fertile material for a nuclear fuel cycle, and an inert matrix for burning plutonium and for waste disposal. The third stage of India's nuclear power programme envisages utilization of thorium and plutonium as a fuel in Advanced Heavy Water Reactor (AHWR) and Accelerator Driven Sub-critical Systems (ADSS). Solid solutions of ThO 2 -PuO 2 are of importance because of coexistence of Th with Pu during the breeding cycle. CeO 2 is used as a PuO 2 analog due to similar ionic radii of cations and similar physico-chemical properties of the oxides. ThO 2 forms a homogeneous solid solution with the cubic fluorite structure when doped with Ce in the entire compositional range. In the development of mixed oxide nuclear fuels, knowledge of thermodynamic properties of thorium oxide and its mixtures has become extremely importance for understanding the fuel behavior during irradiation and for predicting the performance of the fuel under accidental conditions. Thermodynamic functions such as the enthalpy increment and heat capacity of the theria-ceria solid solution have not been measured experimentally. Hence, the enthalpy increments of thoria-ceria solid solutions, Th 0.25 Ce 0.75 O 2 by inverse drop calorimetry in the temperature range 523-1723 K have been measured. The measured enthalpy increments were fitted in to polynomial functions by using the least squares method and the other thermodynamic functions such as heat capacity, entropy and Gibbs energy functions were computed in the temperature range 298-1800 K. The reported thermodynamic functions for Th 0.25 Ce 0.75 O 2 forms the first experimental data and the heat capacity of (Th,Ce)O 2 solid solutions was shown to obey the Neumann-Kopp's rule. (author)

Formation enthalpies of LaLn'O{sub 3} (Ln'=Ho, Er, Tm and Yb) interlanthanide perovskites

Energy Technology Data Exchange (ETDEWEB)

Qi, Jianqi [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616 (United States); College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Key Laboratory of Radiation Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Key Laboratory of High Energy Density Physics of Ministry of Education, Sichuan University, Chengdu 610064 (China); Guo, Xiaofeng [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616 (United States); Mielewczyk-Gryn, Aleksandra [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616 (United States); Faculty of Applied Physics and Mathematics, Department of Solid State Physics, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk (Poland); Navrotsky, Alexandra, E-mail: anavrotsky@ucdavis.edu [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616 (United States)

2015-07-15

High-temperature oxide melt solution calorimetry using 3Na{sub 2}O·MoO{sub 3} at 802 °C was performed for interlanthanide perovskites LaLn'O{sub 3} (Ln'=Ho, Er, Tm and Yb) and lanthanide oxides (La{sub 2}O{sub 3}, Ho{sub 2}O{sub 3}, Er{sub 2}O{sub 3}, Tm{sub 2}O{sub 3} and Yb{sub 2}O{sub 3}). The enthalpies of formation of these interlanthanide perovskites from binary lanthanide oxides at room temperature (25 °C) were determined to be −8.3±3.4 kJ/mol for LaHoO{sub 3}, −9.9±3.0 kJ/mol for LaErO{sub 3}, −10.8±2.7 kJ/mol for LaTmO{sub 3} and −12.3±2.9 kJ/mol for LaYbO{sub 3}. There is a roughly linear relationships between these enthalpy values and the tolerance factor for these and for other LaM{sup 3+}O{sub 3} (M=In, Sc, Ga, Al, Fe and Cr) perovskites, confirming that the distortion of the perovskites as results from ionic radius difference of A-site and B-site cations, is the main factor determining the stability of these compounds. - Graphical abstract: A linear relationship between the enthalpy of formation and the tolerance factor for interlanthanide LaLn'O{sub 3} (Ln'=Ho, Er, Tm, and Yb) and other LaM{sup 3+}O{sub 3} (M=In, Sc, Ga, Al, Fe and Cr) perovskites. - Highlights: • Interlanthanide perovskites were synthesized by solid state reactions. • Their enthalpies of formation were measured by oxide melt solution calorimetry. • ΔH{sub f,ox} shows a linear relationship with tolerance factor.

Fractured Anhydrite as a Geothermal Source in a Low Enthalpy Context (Southern Permian Basin, Netherlands)

NARCIS (Netherlands)

Daniilidis, Alexandros; Herber, Marinus

2015-01-01

Increased heat flow associated with the presence of salt domes could be beneficial for geothermal energy applications in a low enthalpy nvironment. Anhydrite layers within such salt domes could be a potential geothermal target. These layers are known to undergo brittle deformation, which in turn can

Equation of state and transport properties of uranium and plutonium carbides in the liquid region

International Nuclear Information System (INIS)

Sheth, A.; Leibowitz, L.

1975-09-01

By the use of available low-temperature data for various thermophysical and transport properties for uranium and plutonium carbides, values above the melting point were estimated. Sets of recommended values have been prepared for the compounds UC, PuC, and (U,Pu)C. The properties that have been evaluated are density, heat capacity, enthalpy, vapor pressure, thermal conductivity, viscosity, and emissivity

Ocean transport and variability studies of the South Pacific, Southern, and Indian Oceans

Science.gov (United States)

Church, John A.; Cresswell, G. R.; Nilsson, C. S.; Mcdougall, T. J.; Coleman, R.; Rizos, C.; Penrose, J.; Hunter, J. R.; Lynch, M. J.

1991-01-01

The objectives of this study are to analyze ocean dynamics in the western South Pacific and the adjacent Southern Ocean and the eastern Indian Ocean. Specifically, our objectives for these three regions are, for the South Pacific Ocean: (1) To estimate the volume transport of the east Australian Current (EAC) along the Australian coast and in the Tasman Front, and to estimate the time variability (on seasonal and interannual time scales) of this transport. (2) To contribute to estimating the meridional heat and freshwater fluxes (and their variability) at about 30 deg S. Good estimates of the transport in the western boundary current are essential for accurate estimates of these fluxes. (3) To determine how the EAC transport (and its extension, the Tasman Front and the East Auckland Current) closes the subtropical gyre of the South Pacific and to better determine the structure at the confluence of this current and the Antarctic Circumpolar Current. (4) To examine the structure and time variability of the circulation in the western South Pacific and the adjacent Southern Ocean, particularly at the Tasman Front. For the Indian Ocean: (5) To study the seasonal interannual variations in the strength of the Leeuwin Current. (6) To monitor the Pacific-Indian Ocean throughflow and the South Equatorial and the South Java Currents between northwest Australia and Indonesia. (7) To study the processes that form the water of the permanent oceanic thermocline and, in particular, the way in which new thermocline water enters the permanent thermocline in late winter and early spring as the mixed layer restratifies. For the Southern Ocean: (8) To study the mesoscale and meridional structure of the Southern Ocean between 150 deg E and 170 deg E; in particular, to describe the Antarctic frontal system south of Tasmania and determine its interannual variability; to estimate the exchanges of heat, salt, and other properties between the Indian and Pacific Oceans; and to investigate the

Vapor pressures and standard molar enthalpies, entropies, and Gibbs free energies of sublimation of 2,4- and 3,4-dinitrobenzoic acids

International Nuclear Information System (INIS)

Vecchio, Stefano; Brunetti, Bruno

2009-01-01

The vapor pressures of the solid and liquid 2,4- and 3,4-dinitrobenzoic acids were determined by torsion-effusion and thermogravimetry under both isothermal and non-isothermal conditions, respectively. From the temperature dependence of vapor pressure derived by the experimental torsion-effusion and thermogravimetry data the molar enthalpies of sublimation Δ cr g H m 0 ( ) and vaporization Δ l g H m 0 ( ) were determined, respectively, at the middle of the respective temperature intervals. The melting temperatures and the molar enthalpies of fusion of these compounds were measured by d.s.c. Finally, the results obtained by all the methods proposed were corrected at the reference temperature of 298.15 K using the estimated heat capacity differences between gas and liquid for vaporization experiments and the estimated heat capacity differences between gas and solid for sublimation experiments. Therefore, the averages of the standard (p o = 0.1 MPa) molar enthalpies, entropies and Gibbs free energies of sublimation at 298.15 K, have been derived.

Poleward energy transport: is the standard definition physically relevant at all time scales?

Science.gov (United States)

Liang, Minyi; Czaja, Arnaud; Graversen, Rune; Tailleux, Remi

2018-03-01

Poleward energy transport in the atmosphere and oceans constitutes an important branch of the global energy budget, and its role in the climate system has been the subject of many studies. In the atmosphere, the transport is affected by "eddies" and large scale meridional cells, both with zero net mass transport across latitude circles, but also partly by processes associated with a net transport of mass across latitude circles. The latter must cease to operate in steady state, but they may be significant when time variability of the heat budget is considered. Indeed, examination of reanalysis data on short (daily to monthly) timescales shows that mass variations on these timescales result in surprisingly large fluctuations (in excess of 10^{15} W = 1 PW) in the poleward heat transport. These fluctuations are referred to as "extensive", for they primarily alter the mass integrated energy of the region considered, but not its averaged value. It is suggested that extensive fluctuations mask more meaningful climate signals present in the heat transport variability on monthly and interannual timescales, and a new formulation is proposed to isolate the latter. This new formulation is applied successfully to reanalysis data and climate model simulations.

Extremes temperatures and enthalpy in Finland and Sweden in a changing climate

International Nuclear Information System (INIS)

Venaelaeinen, A.; Saku, S.; Jylhae, K.; Nikulin, G.; Kjellstroem, E.; Baerring, L.

2009-06-01

Though risks caused by harsh weather conditions are taken into account in the planning of nuclear power plants, some exceptional weather events or combination of different events may prevent normal power operation and simultaneously endanger safe shutdown of the plant. Extreme weather events could influence, for example, the external power grid connection, emergency diesel generators (blockage of air intakes), ventilation and cooling of electric and electronics equipment rooms and the seawater intake. Due to the influence of an intensified greenhouse effect the climate is changing rapidly during the coming decades and this change is expected to have an influence also on the occurrence of extreme weather events. In this report we have examined extreme temperatures. Enthalpy is a parameter that combines air temperature and air humidity and it is used in the design of air conditioning systems. Therefore, we have included also return levels of enthalpy in our analysis. The influence of climate change on extreme temperatures is analysed based on regional climate model simulations. The reoccurrence times of high temperatures combined with high air humidity was analysed based on measurements made at five Finnish and three Swedish meteorological stations. Based on the observational records we find the 10 year return level of daily maximum temperature to be around 32 deg. C and the 100 year return level around 35 deg. C. If we look the return levels of warm and humid conditions then for example in Helsinki the 10 year return level of one week mean temperature in case mean air humidity is above 80% is 20.1 deg. C. The 10 year return level of daily maximum enthalpy is around 60 kJ/kg and the 100 year return level almost 70 kJ/kg. According to the climate model simulations the largest increase of 50-year return level of daily maximum temperature is found in southern Sweden and south-western Finland. By the end of this century the increase can be 3-5 deg. C. The largest change

Extremes temperatures and enthalpy in Finland and Sweden in a changing climate

Energy Technology Data Exchange (ETDEWEB)

Venaelaeinen, A.; Saku, S.; Jylhae, K. (Finnish Meteorological Institute (Finland)); Nikulin, G.; Kjellstroem, E.; Baerring, L. (Swedish Meteorological Institute (Sweden))

2009-06-15

Though risks caused by harsh weather conditions are taken into account in the planning of nuclear power plants, some exceptional weather events or combination of different events may prevent normal power operation and simultaneously endanger safe shutdown of the plant. Extreme weather events could influence, for example, the external power grid connection, emergency diesel generators (blockage of air intakes), ventilation and cooling of electric and electronics equipment rooms and the seawater intake. Due to the influence of an intensified greenhouse effect the climate is changing rapidly during the coming decades and this change is expected to have an influence also on the occurrence of extreme weather events. In this report we have examined extreme temperatures. Enthalpy is a parameter that combines air temperature and air humidity and it is used in the design of air conditioning systems. Therefore, we have included also return levels of enthalpy in our analysis. The influence of climate change on extreme temperatures is analysed based on regional climate model simulations. The reoccurrence times of high temperatures combined with high air humidity was analysed based on measurements made at five Finnish and three Swedish meteorological stations. Based on the observational records we find the 10 year return level of daily maximum temperature to be around 32 deg. C and the 100 year return level around 35 deg. C. If we look the return levels of warm and humid conditions then for example in Helsinki the 10 year return level of one week mean temperature in case mean air humidity is above 80% is 20.1 deg. C. The 10 year return level of daily maximum enthalpy is around 60 kJ/kg and the 100 year return level almost 70 kJ/kg. According to the climate model simulations the largest increase of 50-year return level of daily maximum temperature is found in southern Sweden and south-western Finland. By the end of this century the increase can be 3-5 deg. C. The largest change

Standard enthalpies of formation of selected Ru{sub 2}YZ Heusler compounds

Energy Technology Data Exchange (ETDEWEB)

Yin, Ming, E-mail: myin1@hawk.iit.edu; Nash, Philip

2015-06-15

Highlights: • Standard enthalpies of formation of Ru{sub 2}YZ were measured using a drop calorimeter. • Result of L2{sub 1} structured compounds agrees with first principles data. • Lattice parameters and related phase relationships were consistent with literature data. • Ru{sub 2}HfSn, Ru{sub 2}TiSn, Ru{sub 2}VGa, Ru{sub 2}VSi, Ru{sub 2}VSn of L2{sub 1} structure were reported for the first time. - Abstract: The standard enthalpies of formation of selected ternary Ru-based Heusler compounds Ru{sub 2}YZ (Y = Fe, Hf, Mn, Ti, V; Z = Al, Ga, In, Si, Ge, Sn) were measured using high temperature direct reaction calorimetry. The measured enthalpies of formation (in kJ/mole of atoms) of the Heusler compounds are, Ru{sub 2}FeGe (−19.7 ± 3.3); Ru{sub 2}HfSn (−24.9 ± 3.6); Ru{sub 2}MnSi (−46.0 ± 2.6); Ru{sub 2}MnGe (−29.7 ± 1.0); Ru{sub 2}MnSn (−20.6 ± 2.4); Ru{sub 2}TiSi (−94.9 ± 4.0); Ru{sub 2}TiGe (−79.1 ± 3.2); Ru{sub 2}TiSn (−60.6 ± 1.8); Ru{sub 2}VSi (−55.9 ± 1.7);for the B2-structured compounds, Ru{sub 2}FeSi (−28.5 ± 0.8); Ru{sub 2}HfAl (−70.8 ± 1.9); Ru{sub 2}MnAl (−32.3 ± 1.9); Ru{sub 2}MnGa (−25.3 ± 3.0); Ru{sub 2}TiAl (−62.7 ± 3.5); Ru{sub 2}VAl (−30.9 ± 1.6); Ru{sub 2}ZrAl (−64.5 ± 1.5). Values were compared with those from published first principles calculations and the OQMD (Open Quantum Materials Database). Lattice parameters of these compounds were determined using X-ray diffraction analysis (XRD). Microstructures were identified using scanning electron microscopy (SEM) and Energy Dispersive Spectroscopy (EDS)

Thermodynamic state, specific heat, and enthalpy function of saturated UO2 vapor between 3,000 K and 5,000 K

International Nuclear Information System (INIS)

Karow, H.U.

1977-02-01

The properties have been determined by means of statistical mechanics. The discussion of the thermodynamic state includes the evaluation of the plasma state and its contribution to the caloric variables-of-state of saturated oxide fuel vapor. Because of the extremely high ion and electron density due to thermal ionization, the ionized component of the fuel vapor does no more represent a perfect kinetic plasma. At temperatures around 5,000 K, UO 2 vapor reaches the collective plasma state and becomes increasingly 'metallic'. - Moreover, the nonuniform molecular equilibrium composition of UO 2 vapor has been taken into account in calculating its caloric functions-of-state. The contribution to specific heat and enthalpy of thermally excited electronic states of the vapor molecules has been derived by means of a Rydberg orbital model of the UO 2 molecule. The resulting enthalpy functions and specific heats for saturated UO 2 vapor of equilibrium composition and that for pure UO 2 gas are compared with the enthalpy and specific heat data of gaseous UO 2 at lower temperatures known from literature. (orig./HP) [de

Power-feedwater enthalpy operating domain for SBWR applying Monte Carlo simulation

International Nuclear Information System (INIS)

Quezada-Garcia, S.; Espinosa-Martinez, E.-G.; Vazquez-Rodriguez, A.; Varela-Ham, J.R.; Espinosa-Paredes, G.

2014-01-01

In this work the analyses of the feedwater enthalpy effects on reactor power in a simplified boiling water reactor (SBWR) applying a methodology based on Monte Carlo's simulation (MCS), is presented. The MCS methodology was applied systematically to establish operating domain, due that the SBWR are not yet in operation, the analysis of the nuclear and thermalhydraulic processes must rely on numerical modeling, with the purpose of developing or confirming the design basis and qualifying the existing or new computer codes to enable reliable analyses. (author)

A moderate enthalpy and a low pollution load in healthy buildings

DEFF Research Database (Denmark)

Fanger, Povl Ole

1998-01-01

For the design of healthy buildings with a comfortable indoor environment, some general recommendations are provided. New research highlights the importance of controlling the enthalpy of indoor air at a moderate level, i.e., by controlling air temperature and relative humidity at a rather low...... level, still compatible with thermal comfort. A decrement of air temperature or humidity improves the perceived air quality and may decrease the required ventilation rate. A moderate air temperature and humidity plus individual control by radiation and conduction is recommended in order to decrease...

A molecular dynamics study of ambient and high pressure phases of silica: structure and enthalpy variation with molar volume.

Science.gov (United States)

Rajappa, Chitra; Sringeri, S Bhuvaneshwari; Subramanian, Yashonath; Gopalakrishnan, J

2014-06-28

Extensive molecular dynamics studies of 13 different silica polymorphs are reported in the isothermal-isobaric ensemble with the Parrinello-Rahman variable shape simulation cell. The van Beest-Kramer-van Santen (BKS) potential is shown to predict lattice parameters for most phases within 2%-3% accuracy, as well as the relative stabilities of different polymorphs in agreement with experiment. Enthalpies of high-density polymorphs - CaCl2-type, α-PbO2-type, and pyrite-type - for which no experimental data are available as yet, are predicted here. Further, the calculated enthalpies exhibit two distinct regimes as a function of molar volume-for low and medium-density polymorphs, it is almost independent of volume, while for high-pressure phases a steep dependence is seen. A detailed analysis indicates that the increased short-range contributions to enthalpy in the high-density phases arise not only from an increased coordination number of silicon but also shorter Si-O bond lengths. Our results indicate that amorphous phases of silica exhibit better optimization of short-range interactions than crystalline phases at the same density while the magnitude of Coulombic contributions is lower in the amorphous phase.

The Relationship between Lattice Enthalpy and Melting Point in Magnesium and Aluminium Oxides. Science Notes

Science.gov (United States)

Talbot, Christopher; Yap, Lydia

2013-01-01

This "Science Note" presents a study by Christopher Talbot and Lydia Yap, who teach IB Chemistry at Anglo-Chinese School (Independent), Republic of Singapore, to pre-university students. Pre-university students may postulate the correlation between the magnitude of the lattice enthalpy compound and its melting point, since both…

Role of the meridional dipole of SSTA and associated cross-equatorial flow in the tropical eastern Pacific in terminating the 2014 El Niño development

Science.gov (United States)

Wu, Yi-Kai; Chen, Lin; Hong, Chi-Cherng; Li, Tim; Chen, Cheng-Ta; Wang, Lu

2018-03-01

In the boreal spring of 2014, the oceanic and atmospheric conditions were favorable for an El Niño's development. It was predicted that in 2014, a super El Niño or at least a regular El Niño with normal magnitude, would initiate. However, the growth rate of the sea surface temperature anomaly (SSTA) in the equatorial eastern Pacific suddenly declined in the boreal summer. The physical processes responsible for the termination of the 2014 El Niño were addressed in this study. We hypothesized that a meridional dipole of SSTA, characterized by a pronounced warm SSTA over the eastern North Pacific (ENP) and cold SSTA over the eastern South Pacific (ESP), played a crucial role in blocking the 2014 El Niño's development. The observational analysis revealed that the meridional dipole of SSTA and the relevant anomalous cross-equatorial flow in the tropical eastern Pacific, induced anomalous westward ({u^' }0) currents in the equatorial eastern Pacific, leading to negative anomalous zonal advection term (- {u^' }partial \\overline T /partial xpartial \\overline T /partial znegative SSTA tendency in the boreal summer, and thus killed off the budding 2014 El Niño. The idealized numerical experiments further confirmed that the 2014 El Niño's development could be suppressed by the meridional dipole of SSTA, and both the ENP pole and ESP pole make a contribution.

Bayesian Statistical Mechanics: Entropy-Enthalpy Compensation and Universal Equation of State at the Tip of Pen

Directory of Open Access Journals (Sweden)

Evgeni B. Starikov

2018-02-01

Full Text Available This work has shown the way to put the formal statistical-mechanical basement under the hotly debated notion of enthalpy-entropy compensation. The possibility of writing down the universal equation of state based upon the statistical mechanics is discussed here.

Determination of saturation pressure and enthalpy of vaporization of semi-volatile aerosols: the integrated volume mentod

Science.gov (United States)

This study presents the integrated volume method for estimating saturation pressure and enthalpy of vaporization of a whole aerosol distribution. We measure the change of total volume of an aerosol distribution between a reference state and several heated states, with the heating...

Prediction of enthalpy of fusion of pure compounds using an Artificial Neural Network-Group Contribution method

International Nuclear Information System (INIS)

Gharagheizi, Farhad; Salehi, Gholam Reza

2011-01-01

Highlights: → An Artificial Neural Network-Group Contribution method is presented for prediction of enthalpy of fusion of pure compounds at their normal melting point. → Validity of the model is confirmed using a large evaluated data set containing 4157 pure compounds. → The average percent error of the model is equal to 2.65% in comparison with the experimental data. - Abstract: In this work, the Artificial Neural Network-Group Contribution (ANN-GC) method is applied to estimate the enthalpy of fusion of pure chemical compounds at their normal melting point. 4157 pure compounds from various chemical families are investigated to propose a comprehensive and predictive model. The obtained results show the Squared Correlation Coefficient (R 2 ) of 0.999, Root Mean Square Error of 0.82 kJ/mol, and average absolute deviation lower than 2.65% for the estimated properties from existing experimental values.

O HORST DA MANTIQUEIRA MERIDIONAL: PROPOSTA DE COMPARTIMENTAÇÃO MORFOESTRUTURAL PARA SUA PORÇÃO MINEIRA

Directory of Open Access Journals (Sweden)

Roberto Marques Neto

2017-08-01

Full Text Available A Mantiqueira Meridional perfaz o sistema orográfico contínuo mais elevado de todo o Brasil Oriental. Sua gênese está ligada à reativação tectônica que acometeu a Plataforma Brasileira entre o Cretáceo e o Paleógeno orquestrada pela separação da paleoplaca Afro-brasileira e processos geodinâmicos associados, com posteriores reativações vinculadas à dinâmica neotectônica intraplaca e outros efeitos diastróficos oriundos de tectônica ressurgente e ativa. Dessa forma, a compartimentação morfoestrutural da Serra da Mantiqueira integra uma série de feições passivas a um vasto rol de evidências de controle morfotectônico sobrepostos às estruturas preexistentes. O presente artigo consiste numa proposta de compartimentação morfoestrutural para a porção da Mantiqueira Meridional contida no estado de Minas Gerais, enfatizando o controle morfoestrutural, o papel dos níveis de base regionais, e as estruturas tectônicas ativas afetando os diferentes compartimentos discernidos. A análise integrada entre os litotipos, os lineamentos estruturais, a rede de drenagem e os padrões de formas de relevo discerniu os seguintes compartimentos morfoestruturais: Patamares de Cimeira da Mantiqueira (desmembrados em sete subcompartimentos, Patamares Escalonados da Mantiqueira (dois subcompartimentos, Cristas Quartzíticas Festonadas e Rebordos Erosivos Dissecados.

Thoughts on why in CESM a more poleward TOA energy imbalance favors more ocean-centric energy transport and weaker ITCZ shift responses

Science.gov (United States)

Yu, S.; Pritchard, M. S.

2017-12-01

The role of different location of top-of-atmosphere (TOA) solar forcing to the annual-mean, zonal-mean ITCZ location is examined in a dynamic ocean coupled Community Earth System Model. We observe a damped ITCZ shift response that is now a familiar response of coupled GCMs, but a new finding is that the damping efficiency is increases monotonically as the latitudinal location of forcing is moved poleward. More Poleward forcing cases exhibit weaker shifts of the annual-mean ITCZ position consistent with a more ocean-centric cross-equatorial energy partitioning response to the forcing, which is in turn linked to changes in ocean circulation, not thermodynamic structure. The ocean's dynamic response is partly due to Ekman-driven shallow overturning circulation responses, as expected from a recent theory, but also contains a significant Atlantic meridional overturning circulation (AMOC) component--which is in some sense surprising given that it is activated even in near-tropical forcing experiments. Further analysis of the interhemispheric energy budget reveals the surface heating feedback response provides a useful framework for interpreting the cross-equatorial energy transport partitioning between atmosphere and ocean. Overall, the results of this study may help explain the mixed results of the degree of ITCZ shift response to interhemispheric asymmetric forcing documented in coupled GCMs in recent years. Furthermore, the sensitive AMOC response motivates expanding current coupled theoretical frameworks on meridional energy transport partitioning to include effects beyond Ekman transport.

The Correlation of Standard Entropy with Enthalpy Supplied from 0 to 298.15 K

Science.gov (United States)

Lambert, Frank L.; Leff, Harvey S.

2009-01-01

As a substance is heated at constant pressure from near 0 K to 298 K, each incremental enthalpy increase, dH, alters entropy by dH/T, bringing it from approximately zero to its standard molar entropy S degrees. Using heat capacity data for 32 solids and CODATA results for another 45, we found a roughly linear relationship between S degrees and…

De Indios “Bárbaros” a Vasallos en la Frontera Meridional Chilena Durante el Reformismo Borbónico.

OpenAIRE

Chauca García, Jorge

2017-01-01

Con la presente Tesis Doctoral abordamos críticamente la visión ilustrada del indígena de la frontera meridional chilena como marco geográfico y la centuria de la Ilustración como coordenada temporal, especialmente su segunda mitad. Un análisis de sus tres familias básicas que no contempla por razones cronológicas a los picunches o gentes del norte, pero sí a los mapuches –gente de la tierra–, huilliches –gente...

On the relative role of meridional convergence and downwelling motion during the heat buildup leading to El Niño events

Science.gov (United States)

Ballester, Joan; Bordoni, Simona; Petrova, Desislava; Rodó, Xavier

2015-04-01

Despite steady progress in the understanding of El Niño-Southern Oscillation (ENSO) in the past decades, questions remain on the exact mechanisms leading to the onset of El Niño (EN) events. Several authors have highlighted how the subsurface heat buildup in the western tropical Pacific and the recharged phase in equatorial heat content are intrinsic elements of ENSO variability, leading to those changes in zonal wind stress, sea surface temperature and thermocline tilt that characterize the growing and mature phases of EN. Here we use an ensemble of ocean and atmosphere assimilation products to identify the mechanisms contributing to the heat buildup that precedes EN events by about 18-24 months on average. Anomalous equatorward subsurface mass convergence due to meridional Sverdrup transport is found to be an important mechanism of thermocline deepening near and to the east of the dateline. In the warm pool, instead, surface horizontal convergence and downwelling motion have a leading role in subsurface warming, since equatorward mass convergence is weaker and counterbalanced by subsurface zonal divergence. The picture emerging from our results highlights the complexity of the three dimensional dynamic and thermodynamic structure of the tropical Pacific during the heat buildup leading to EN events.

Enthalpies of formation of europium alkoxides: What lessons can be drawn from them

International Nuclear Information System (INIS)

Branco, Joaquim B.; Carretas, José M.; Epple, Matthias; Cruz, Adelaide; Pires de Matos, A.; Leal, João Paulo

2014-01-01

Highlights: • First time measurement of europium(II) alkoxides enthalpy of formation. • Calculation of alkoxides thermochemical radii and M–O distances in this environment. • Comparison of experimental EXAFS distance with the calculated ones. • Hints on the type of bond existing in these compounds. • Correlation of bond type and possible use as catalysts. - Abstract: The synthesis and characterization of two europium alkoxides, Eu(OCH 3 ) 2 and Eu(OC 2 H 5 ) 2 , were described. For the first time the enthalpies of formation of divalent lanthanide alkoxides were determined by using reaction-solution calorimetry. The values obtained are Δ f H 0 [Eu(OCH 3 ) 2 ,cr] = −850.5 ± 5.0 kJ/mol and Δ f H 0 [Eu(OC 2 H 5 ) 2 ,cr] = −902.5 ± 5.5 kJ/mol, respectively. Since these compounds have a large use as catalysts or catalysts precursors, the first step of the reaction of them with CO 2 was addressed, which permits to have an idea of the kind of bond involved in those compounds. Moreover, insertion of CO 2 in the europium oxygen bond and formation of metal carboxylate complexes, is in both cases presumably bidentate

Three-dimensional quantitative structure-property relationship (3D-QSPR) models for prediction of thermodynamic properties of polychlorinated biphenyls (PCBs): enthalpy of vaporization.

Science.gov (United States)

Puri, Swati; Chickos, James S; Welsh, William J

2002-01-01

Three-dimensional Quantitative Structure-Property Relationship (QSPR) models have been derived using Comparative Molecular Field Analysis (CoMFA) to correlate the vaporization enthalpies of a representative set of polychlorinated biphenyls (PCBs) at 298.15 K with their CoMFA-calculated physicochemical properties. Various alignment schemes, such as inertial, as is, and atom fit, were employed in this study. The CoMFA models were also developed using different partial charge formalisms, namely, electrostatic potential (ESP) charges and Gasteiger-Marsili (GM) charges. The most predictive model for vaporization enthalpy (Delta(vap)H(m)(298.15 K)), with atom fit alignment and Gasteiger-Marsili charges, yielded r2 values 0.852 (cross-validated) and 0.996 (conventional). The vaporization enthalpies of PCBs increased with the number of chlorine atoms and were found to be larger for the meta- and para-substituted isomers. This model was used to predict Delta(vap)H(m)(298.15 K) of the entire set of 209 PCB congeners.

An evaluation of interferences in heat production from low enthalpy geothermal doublets systems

DEFF Research Database (Denmark)

Willems, Cees J. L.; Nick, Hamidreza M.; Weltje, Gert Jan

2017-01-01

Required distance between doublet systems in low enthalpy geothermal heat exploitation is often not fully elucidated. The required distance aims to prevent negative interference influencing the utilisation efficiency of doublet systems. Currently production licence areas are often issued based...... and minimal required production temperature. The results of this study can be used to minimize negative interference or optimise positive interference aiming at improving geothermal doublet deployment efficiency. (C) 2017 The Authors. Published by Elsevier Ltd....

Melting temperature and enthalpy variations of phase change materials (PCMs): a differential scanning calorimetry (DSC) analysis

Science.gov (United States)

Sun, Xiaoqin; Lee, Kyoung Ok; Medina, Mario A.; Chu, Youhong; Li, Chuanchang

2018-06-01

Differential scanning calorimetry (DSC) analysis is a standard thermal analysis technique used to determine the phase transition temperature, enthalpy, heat of fusion, specific heat and activation energy of phase change materials (PCMs). To determine the appropriate heating rate and sample mass, various DSC measurements were carried out using two kinds of PCMs, namely N-octadecane paraffin and calcium chloride hexahydrate. The variations in phase transition temperature, enthalpy, heat of fusion, specific heat and activation energy were observed within applicable heating rates and sample masses. It was found that the phase transition temperature range increased with increasing heating rate and sample mass; while the heat of fusion varied without any established pattern. The specific heat decreased with the increase of heating rate and sample mass. For accuracy purpose, it is recommended that for PCMs with high thermal conductivity (e.g. hydrated salt) the focus will be on heating rate rather than sample mass.

Vapor pressures and sublimation enthalpies of seven heteroatomic aromatic hydrocarbons measured using the Knudsen effusion technique

International Nuclear Information System (INIS)

Goldfarb, Jillian L.; Suuberg, Eric M.

2010-01-01

The vapor pressures of seven heteroatom-containing cyclic aromatic hydrocarbons, ranging in molecular weight from (168.19 to 208.21) g . mol -1 were measured over the temperature range of (301 to 486) K using the isothermal Knudsen effusion technique. The compounds measured include: anthraquinone, 9-fluorenone, 9-fluorenone oxime, phenoxazine, phenoxathiin, and 9H-pyrido[3,4-b]indole. These solid-state sublimation measurements provided values that are compared to vapor pressures of parent aromatic compounds (anthracene and fluorene) and to others with substituent groups in order to examine the effects of alcohol, ketone, pyridine, and pyrrole functionality on this property. The enthalpies and entropies of sublimation for each compound were determined from the Clausius-Clapeyron equation. Though there is no consistent trend in terms of the effects of substitutions on changes in the enthalpy or entropy of sublimation, we note that the prevalence of enthalpic or entropic driving forces on vapor pressure depend on molecule-specific factors and not merely molecular weight of the substituents.

Enthalpy of solution of α- and β-cyclodextrin in water and in some organic solvents

International Nuclear Information System (INIS)

Belica, Sylwia; Sadowska, Monika; Stępniak, Artur; Graca, Anna; Pałecz, Bartłomiej

2014-01-01

Highlights: • A great influence of crystalline water on the energetic of dissolving compounds. • The strongest interaction between β-cyclodextrin and DMSO. • The enthalpic pair interaction coefficient, h βCD-EtOH , obtained is positive. • Predominating effects of the partial dehydration of the molecules – βCD-EtOH. -- Abstract: The calorimetric measurements of solution enthalpy of α-cyclodextrin, β-cyclodextrin in water (H 2 O), dimetyloformamid (DMF), dimethyl sulfoxide (DMSO) and aqueous ethanol solutions (H 2 O + EtOH) at 298.15 K were made. The experimental results were used to calculate the enthalpic coefficients of the interactions between cyclodextrin and ethanol molecules in water based on McMillan–Mayer’s model. The results were compared with literature data and with hydrodynamic radii of cyclodextrin in examined solvents and with donor numbers of these solvents. In order to check, if the inclusion complex formation between the solvent with the highest enthalpy of solution and cyclodextrin has happened, the calorimetric isothermal titration measurements were made and the results were interpreted

Meridional circulation in rotating stars. VII. The effects of chemical inhomogeneities

International Nuclear Information System (INIS)

Tassoul, M.; Tassoul, J.

1984-01-01

In this paper we discuss the effects of a gradient of mean molecular weight μ on the rotationally driven currents that pervade the radiative zone of a single, nonmagnetic, main-sequence star. Detailed numerical calculations are made for the hydrogen-burning core of a solar-type star, assuming that departures from spherical symmetry are not too large. It is found that meridional streaming virtually dies out from the center outward as the μ-gradient grows in a leisurely fashion. This prevents a substantial mixing of matter between the inner (inhomogeneous) and outer (homogeneous) regions in the radiative zone, although the inner region may be penetrated to some degree. To first order in the ratio of the centrifugal force to gravity at the equator, this pattern of circulation is independent of the mean angular velocity. To this order, then, there is no critical rotation rate above which unimpeded mixing may take place. These quantitative results are compared with diverse statements that can be found in the phenomenological literature on rotational mixing

Facing the challenge of predicting the standard formation enthalpies of n-butyl-phosphate species with ab initio methods

Science.gov (United States)

Saab, Mohamad; Réal, Florent; Šulka, Martin; Cantrel, Laurent; Virot, François; Vallet, Valérie

2017-06-01

Tributyl-phosphate (TBP), a ligand used in the PUREX liquid-liquid separation process of spent nuclear fuel, can form an explosive mixture in contact with nitric acid that might lead to a violent explosive thermal runaway. In the context of safety of a nuclear reprocessing plant facility, it is crucial to predict the stability of TBP at elevated temperatures. So far, only the enthalpies of formation of TBP are available in the literature with rather large uncertainties, while those of its degradation products, di-(HDBP) and mono-(H2MBP), are unknown. In this goal, we have used state-of-the art quantum chemical methods to compute the formation enthalpies and entropies of TBP and its degradation products di-(HDBP) and mono-(H2MBP) in gas and liquid phases. Comparisons of levels of quantum chemical theory revealed that there are significant effects of correlation on their electronic structures, pushing for the need of not only high level of electronic correlation treatment, namely, local coupled cluster with single and double excitation operators and perturbative treatment of triple excitations, but also extrapolations to the complete basis to produce reliable and accurate thermodynamics data. Solvation enthalpies were computed with the conductor-like screening model for real solvents [COSMO-RS], for which we observe errors not exceeding 22 kJ mol-1. We thus propose with final uncertainty of about 20 kJ mol-1 standard enthalpies of formation of TBP, HDBP, and H2MBP which amounts to -1281.7 ± 24.4, -1229.4 ± 19.6, and -1176.7 ± 14.8 kJ mol-1, respectively, in the gas phase. In the liquid phase, the predicted values are -1367.3 ± 24.4, -1348.7 ± 19.6, and -1323.8± 14.8 kJ mol-1, to which we may add about -22 kJ mol-1 error from the COSMO-RS solvent model. From these data, the complete hydrolysis of TBP is predicted as an exothermic phenomena but showing a slightly endergonic process.

A PROPOSED PARADIGM FOR SOLAR CYCLE DYNAMICS MEDIATED VIA TURBULENT PUMPING OF MAGNETIC FLUX IN BABCOCK–LEIGHTON-TYPE SOLAR DYNAMOS

Energy Technology Data Exchange (ETDEWEB)

Hazra, Soumitra; Nandy, Dibyendu [Department of Physical Sciences, Indian Institute of Science Education and Research, Kolkata (India)

2016-11-20

At present, the Babcock–Leighton flux transport solar dynamo models appear to be the most promising models for explaining diverse observational aspects of the sunspot cycle. The success of these flux transport dynamo models is largely dependent upon a single-cell meridional circulation with a deep equatorward component at the base of the Sun’s convection zone. However, recent observations suggest that the meridional flow may in fact be very shallow (confined to the top 10% of the Sun) and more complex than previously thought. Taken together, these observations raise serious concerns on the validity of the flux transport paradigm. By accounting for the turbulent pumping of magnetic flux, as evidenced in magnetohydrodynamic simulations of solar convection, we demonstrate that flux transport dynamo models can generate solar-like magnetic cycles even if the meridional flow is shallow. Solar-like periodic reversals are recovered even when meridional circulation is altogether absent. However, in this case, the solar surface magnetic field dynamics does not extend all the way to the polar regions. Very importantly, our results demonstrate that the Parker–Yoshimura sign rule for dynamo wave propagation can be circumvented in Babcock–Leighton dynamo models by the latitudinal component of turbulent pumping, which can generate equatorward propagating sunspot belts in the absence of a deep, equatorward meridional flow. We also show that variations in turbulent pumping coefficients can modulate the solar cycle amplitude and periodicity. Our results suggest the viability of an alternate magnetic flux transport paradigm—mediated via turbulent pumping—for sustaining solar-stellar dynamo action.

A PROPOSED PARADIGM FOR SOLAR CYCLE DYNAMICS MEDIATED VIA TURBULENT PUMPING OF MAGNETIC FLUX IN BABCOCK–LEIGHTON-TYPE SOLAR DYNAMOS

International Nuclear Information System (INIS)

Hazra, Soumitra; Nandy, Dibyendu

2016-01-01

At present, the Babcock–Leighton flux transport solar dynamo models appear to be the most promising models for explaining diverse observational aspects of the sunspot cycle. The success of these flux transport dynamo models is largely dependent upon a single-cell meridional circulation with a deep equatorward component at the base of the Sun’s convection zone. However, recent observations suggest that the meridional flow may in fact be very shallow (confined to the top 10% of the Sun) and more complex than previously thought. Taken together, these observations raise serious concerns on the validity of the flux transport paradigm. By accounting for the turbulent pumping of magnetic flux, as evidenced in magnetohydrodynamic simulations of solar convection, we demonstrate that flux transport dynamo models can generate solar-like magnetic cycles even if the meridional flow is shallow. Solar-like periodic reversals are recovered even when meridional circulation is altogether absent. However, in this case, the solar surface magnetic field dynamics does not extend all the way to the polar regions. Very importantly, our results demonstrate that the Parker–Yoshimura sign rule for dynamo wave propagation can be circumvented in Babcock–Leighton dynamo models by the latitudinal component of turbulent pumping, which can generate equatorward propagating sunspot belts in the absence of a deep, equatorward meridional flow. We also show that variations in turbulent pumping coefficients can modulate the solar cycle amplitude and periodicity. Our results suggest the viability of an alternate magnetic flux transport paradigm—mediated via turbulent pumping—for sustaining solar-stellar dynamo action.

Characteristics of low-enthalpy geothermal applications in Greece

International Nuclear Information System (INIS)

Andritsos, N.; Dalabakis, P.; Karydakis, G.; Kolios, N.; Fytikas, M.

2011-01-01

The paper offers a brief overview of the current direct geothermal uses in Greece and discusses their characteristics, with emphasis to the economical and technical problems encountered. Greece holds a prominent place in Europe regarding the existence of promising geothermal resources (both high and low-enthalpy), which can be economically exploited. Currently, no geothermal electricity is produced in Greece. The installed capacity of direct uses at the end of 2009 is estimated at about 155 MW t , exhibiting an increase of more than 100% compared to the figures reported at the World Geothermal Congress 2005. The main uses, in decreasing share, are geothermal heat pumps, swimming and balneology, greenhouse heating and soil warming. Earth-coupled and groundwater (or seawater) heat pumps have shown a drastic expansion during the past 2-3 years, mainly due to high oil prices two years ago and easing of the license requirements for drilling shallow wells. (author)

Changes of enthalpy slope in subcooled flow boiling

Energy Technology Data Exchange (ETDEWEB)

Collado, Francisco J.; Monne, Carlos [Universidad de Zaragoza-CPS, Departamento de Ingenieria Mecanica-Motores Termicos, Zaragoza (Spain); Pascau, Antonio [Universidad de Zaragoza-CPS, Departamento de Ciencia de los Materiales y Fluidos-Mecanica de Fluidos, Zaragoza (Spain)

2006-03-01

Void fraction data in subcooled flow boiling of water at low pressure measured by General Electric in the 1960s are analyzed following the classical model of Griffith et al. (in Proceedings of ASME-AIChE heat transfer conference, 58-HT-19, 1958). In addition, a new proposal for analyzing one-dimensional steady flow boiling is used. This is based on the physical fact that if the two phases have different velocities, they cannot cover the same distance - the control volume length - in the same time. So a slight modification of the heat balance is suggested, i.e., the explicit inclusion of the vapor-liquid velocity ratio or slip ratio as scaling time factor between the phases, which is successfully checked against the data. Finally, the prediction of void fraction using correlations of the net rate of change of vapor enthalpy in the fully developed regime of subcooled flow boiling is explored. (orig.)

Thermodynamic study of rhodamine 123-calf thymus DNA interaction: determination of calorimetric enthalpy by optical melting study.

Science.gov (United States)

Masum, Abdulla Al; Chakraborty, Maharudra; Pandya, Prateek; Halder, Umesh Chandra; Islam, Md Maidul; Mukhopadhyay, Subrata

2014-11-20

In this paper, the interaction of rhodamine123 (R123) with calf thymus DNA has been studied using molecular modeling and other biophysical methods like UV-vis spectroscopy, fluoremetry, optical melting, isothermal titration calorimetry, and circular dichroic studies. Results showed that the binding energy is about -6 to -8 kcal/mol, and the binding process is favored by both negative enthalpy change and positive entropy change. A new method to determine different thermodynamic properties like calorimetric enthalpy and heat capacity change has been introduced in this paper. The obtained data has been crossed-checked by other methods. After dissecting the free-energy contribution, it was observed that the binding was favored by both negative hydrophobic free energy and negative molecular free energy which compensated for the positive free energies due to the conformational change loss of rotational and transitional freedom of the DNA helix.