A new atmospheric aerosol phase equilibrium model (UHAERO): organic systems

In atmospheric aerosols, water and volatile inorganic and organic species are distributed between the gas and aerosol phases in accordance with thermodynamic equilibrium. Within an atmospheric particle, liquid and solid phases can exist at equilibrium. Models exist for computation of phase equilibria for inorganic/water mixtures typical of atmospheric aerosols; when organic species are present, the phase equilibrium problem is complicated by organic/water interactions as well as the potentially large number of organic species. We present here an extension of the UHAERO inorganic thermodynamic model (Amundson et al., 2006c) to organic/water systems. Phase diagrams for a number of model organic/water systems characteristic of both primary and secondary organic aerosols are computed. Also calculated are inorganic/organic/water phase diagrams that show the effect of organics on inorganic deliquescence behavior. The effect of the choice of activity coefficient model for organics on the computed phase equilibria is explored

Far-infrared spectra of CO2 clathrate hydrate frosts

As a product of our interest in remote sensing of planetary ices, frost samples of CO2 clathrate hydrate were grown by depositing water vapor on a cooled surface and pressurizing the resulting water frost with CO2 gas. At pressures above the dissociation pressure of the clathrate, the samples exhibit an absorption peak at 75 cm (sup -1). At pressures below the dissociation pressure, the peak disappears. Since the free CO2 molecule does not have rotational or vibrational absorption in this region, the absorption is attributed to a CO2 rattling mode within a clathrate cage

Water Scarcity and Water Markets: A Comparison of Institutions and Practices in the Murray-Darling Basin of Australia and the Western US

Water markets in Australia’s Murray-Darling Basin (MDB) and the US west are compared in terms of their ability to allocate scarce water resources among competing uses. Both locations have been in the forefront of the development of water markets with defined water rights and conveyance structures to assist in the reallocation of water across competing demands. They also share the challenge of managing water with climate variability and climate change. As these two markets occur in developed, wealthy countries, their experiences in water markets with different water rights (appropriative, riparian and statutory rights) provide ‘best-case’ scenarios of what institutional arrangements work best, indicate which are less effective, and demonstrate what might be possible for greater use of water markets elsewhere in the world. The paper finds that the gains from trade in the MDB is worth hundreds of millions of dollars in per year, total turnover in water rights exceeds $2 billion per year and the volume of trade accounts for over 20$4.3 billion (2008 $) spent or committed by urban buyers between 1987 and 2008. Despite the clear benefits of water markets in both locations, there are on-going restrictions to trade that limit the potential gains and also third-party effects from use that require resolution.

A Comparative Assessment of Water Markets: Insights from the Murray-Darling Basin of Australia and the Western US

Water markets in Australia’s Murray-Darling Basin (MDB) and the US west are compared in terms of their ability to allocate scarce water resources. The study finds that the gains from trade in the MDB are worth hundreds of millions of dollars per year. Total market turnover in water rights exceeds $2 billion per year while the volume of trade exceeds over 20$4.3 billion (2008 $) spent or committed by urban buyers between 1987 and 2008. The two-market comparison suggests that policy attention should be directed towards ways to promote water trade while simultaneously mitigating the legitimate thirdparty concerns about how and where water is used, especially conflicts between consumptive and in situ uses of water. The study finds that institutional innovation is feasible in both countries and that further understanding about the size, duration, and distribution of third-party effects from water trade, and how these effects might be regulated, can improve water markets to better manage water scarcity.water markets, US west, Murray-Darling Basin, gains from trade

Systematic review of statistical approaches to quantify, or correct for, measurement error in a continuous exposure in nutritional epidemiology.

BACKGROUND: Several statistical approaches have been proposed to assess and correct for exposure measurement error. We aimed to provide a critical overview of the most common approaches used in nutritional epidemiology. METHODS: MEDLINE, EMBASE, BIOSIS and CINAHL were searched for reports published in English up to May 2016 in order to ascertain studies that described methods aimed to quantify and/or correct for measurement error for a continuous exposure in nutritional epidemiology using a calibration study. RESULTS: We identified 126 studies, 43 of which described statistical methods and 83 that applied any of these methods to a real dataset. The statistical approaches in the eligible studies were grouped into: a) approaches to quantify the relationship between different dietary assessment instruments and "true intake", which were mostly based on correlation analysis and the method of triads; b) approaches to adjust point and interval estimates of diet-disease associations for measurement error, mostly based on regression calibration analysis and its extensions. Two approaches (multiple imputation and moment reconstruction) were identified that can deal with differential measurement error. CONCLUSIONS: For regression calibration, the most common approach to correct for measurement error used in nutritional epidemiology, it is crucial to ensure that its assumptions and requirements are fully met. Analyses that investigate the impact of departures from the classical measurement error model on regression calibration estimates can be helpful to researchers in interpreting their findings. With regard to the possible use of alternative methods when regression calibration is not appropriate, the choice of method should depend on the measurement error model assumed, the availability of suitable calibration study data and the potential for bias due to violation of the classical measurement error model assumptions. On the basis of this review, we provide some practical advice for the use of methods to assess and adjust for measurement error in nutritional epidemiology

Relative Permeability of Homogenous-Wet and Mixed-Wet Porous Media as Determined by Pore-Scale Lattice Boltzmann Modeling

We present a pore-scale study of two-phase relative permeability in homogenous-wet porous media, and porous media altered to a mixed-wet state. A Shan-Chen type multicomponent lattice Boltzmann (LB) model is employed to determine pore-scale fluid distributions and relative permeability. Mixed-wet states are created by altering the wettability of solid surfaces in contact with the nonwetting phase at the end of steady state simulation of initially homogenous-wet porous media. To ensure accurate representation of fluid-solid interfacial areas, we compare LB simulation results to experimental measurements of interfacial fluid-fluid and fluid-solid areas determined by X-ray computed microtomography imaging of water and oil distributions in bead packs. The LB simulations are found to match experimental trends observed for fluid-fluid and fluid-solid interfacial area-saturation relationships. The relative permeability of both fluids in the homogenous-wet porous media was found to decrease with a decreasing contact angle. The relative permeability of both fluids in the altered, mixed-wet porous media was found to decrease for all mixed-wet states in comparison to the initial homogenous-wet states. The nonwetting phase relative permeability decreased significantly, while the wetting phase experienced only a minor decrease. The significance of the decrease was found to be dependent on the distribution of the unaltered solid surfaces, with less dependence on the severity of alteration. Key Points Lattice Boltzmann simulation interfacial areas match experimental trends Wetting phase relative permeability is unaffected by wettability alteration Nonwetting phase relative permeability is decreased by wettability alteration © 2014. American Geophysical Union

Phonon Band Structure and Thermal Transport Correlation in a Layered Diatomic Crystal

To elucidate the relationship between a crystal's structure, its thermal conductivity, and its phonon dispersion characteristics, an analysis is conducted on layered diatomic Lennard-Jones crystals with various mass ratios. Lattice dynamics theory and molecular dynamics simulations are used to predict the phonon dispersion curves and the thermal conductivity. The layered structure generates directionally dependent thermal conductivities lower than those predicted by density trends alone. The dispersion characteristics are quantified using a set of novel band diagram metrics, which are used to assess the contributions of acoustic phonons and optical phonons to the thermal conductivity. The thermal conductivity increases as the extent of the acoustic modes increases, and decreases as the extent of the stop bands increases. The sensitivity of the thermal conductivity to the band diagram metrics is highest at low temperatures, where there is less anharmonic scattering, indicating that dispersion plays a more prominent role in thermal transport in that regime. We propose that the dispersion metrics (i) provide an indirect measure of the relative contributions of dispersion and anharmonic scattering to the thermal transport, and (ii) uncouple the standard thermal conductivity structure-property relation to that of structure-dispersion and dispersion-property relations, providing opportunities for better understanding of the underlying physical mechanisms and a potential tool for material design.Comment: 30 pages, 10 figure

Granular packings with moving side walls

The effects of movement of the side walls of a confined granular packing are studied by discrete element, molecular dynamics simulations. The dynamical evolution of the stress is studied as a function of wall movement both in the direction of gravity as well as opposite to it. For all wall velocities explored, the stress in the final state of the system after wall movement is fundamentally different from the original state obtained by pouring particles into the container and letting them settle under the influence of gravity. The original packing possesses a hydrostatic-like region at the top of the container which crosses over to a depth-independent stress. As the walls are moved in the direction opposite to gravity, the saturation stress first reaches a minimum value independent of the wall velocity, then increases to a steady-state value dependent on the wall-velocity. After wall movement ceases and the packing reaches equilibrium, the stress profile fits the classic Janssen form for high wall velocities, while it has some deviations for low wall velocities. The wall movement greatly increases the number of particle-wall and particle-particle forces at the Coulomb criterion. Varying the wall velocity has only small effects on the particle structure of the final packing so long as the walls travel a similar distance.Comment: 11 pages, 10 figures, some figures in colo

Chandra Measurements of a Complete Sample of X-ray Luminous Galaxy Clusters: The Luminosity-Mass Relation

We present the results of work involving a statistically complete sample of 34 galaxy clusters, in the redshift range 0.15$\le$z$\le$0.3 observed with $Chandra$. We investigate the luminosity-mass ($LM$) relation for the cluster sample, with the masses obtained via a full hydrostatic mass analysis. We utilise a method to fully account for selection biases when modeling the $LM$ relation, and find that the $LM$ relation is significantly different than the relation modelled when not account for selection effects. We find that the luminosity of our clusters is 2.2$\pm$0.4 times higher (when accounting for selection effects) than the average for a given mass, its mass is 30% lower than the population average for a given luminosity. Equivalently, using the $LM$ relation measured from this sample without correcting for selection biases would lead to the underestimation by 40% of the average mass of a cluster with a given luminosity. Comparing the hydrostatic masses to mass estimates determined from the $Y_{X}$ parameter, we find that they are entirely consistent, irrespective of the dynamical state of the cluster.Comment: 31 pages, 43 figures, accepted for publication in MNRA