EVAPORATION: a new vapour pressure estimation methodfor organic molecules including non-additivity and intramolecular interactions

We present EVAPORATION (Estimation of VApour Pressure of ORganics, Accounting for Temperature, Intramolecular, and Non-additivity effects), a method to predict (subcooled) liquid pure compound vapour pressure <i>p</i><sup>0</sup> of organic molecules that requires only molecular structure as input. The method is applicable to zero-, mono- and polyfunctional molecules. A simple formula to describe log<sub>10</sub><i>p</i><sup>0</sup>(<i>T</i>) is employed, that takes into account both a wide temperature dependence and the non-additivity of functional groups. In order to match the recent data on functionalised diacids an empirical modification to the method was introduced. Contributions due to carbon skeleton, functional groups, and intramolecular interaction between groups are included. Molecules typically originating from oxidation of biogenic molecules are within the scope of this method: aldehydes, ketones, alcohols, ethers, esters, nitrates, acids, peroxides, hydroperoxides, peroxy acyl nitrates and peracids. Therefore the method is especially suited to describe compounds forming secondary organic aerosol (SOA)

Estimating fusion properties for functionalised acids

Multicomponent organic aerosol (OA) is likely to be liquid, or partially liquid. Hence, to describe the partitioning of these components, their liquid vapour pressure is desired. Functionalised acids (e.g. diacids) can be a significant part of OA. But often measurements are available only for solid state vapour pressure, which can differ by orders of magnitude from their liquid counterparts. To convert such a sublimation pressure to a subcooled liquid vapour pressure, fusion properties (two out of these three quantities: fusion enthalpy, fusion entropy, fusion temperature) are required. Unfortunately, experimental knowledge of fusion properties is sometimes missing in part or completely, hence an estimation method is required. Several fusion data estimation methods are tested here against experimental data of functionalised acids, and a simple estimation method is developed, specifically for this family of compounds, with a significantly smaller estimation error than the literature methods

Technical Note: Vapor pressure estimation methods applied to secondary organic aerosol constituents from α-pinene oxidation: an intercomparison study

We applied and compared seven vapor pressure estimation methods to the condensable compounds generated in the oxidation of α-pinene, as described by the state-of-the-art mechanism of the BOREAM model Capouet et al., 2008. Several of these methods had to be extended in order to treat functional groups such as hydroperoxides and peroxy acyl nitrates. Large differences in the estimated vapor pressures are reported, which will inevitably lead to large differences in aerosol formation simulations. Cautioning remarks are given for some vapor pressure estimation methods

Nonlinear convective heat transport in multiple magnetized electron temperature filaments

Results are presented from a basic electron heat transport experiment consisting of multiple magnetized electron temperature filaments in close proximity. This arrangement samples cross-field transport from nonlinear drift-Alfven waves and is used to study elements of chaotic heat flow. Experiments are performed in the Large Plasma Device (LAPD) at the University of California. A biased LaB₆ cathode injects low energy electrons (below ionization energy) along a strong magnetic field into a pre-existing large and cold plasma forming an electron temperature filament embedded in a colder plasma, and far from the machine walls. A carbon masking plate with several holes is used to create 3 electron temperature filaments. Drift-Alfven and thermal waves from a single filament have been characterized and compared to previous studies with a different electron beam source. The 3-filament case exhibits a complex wave pattern and enhanced cross-field transport.Представлены результаты изучения переноса тепла между несколькими замагниченными нитями с электронной температурой, находящимися в непосредственной близости. Такое расположение позволяет изучать перенос тепла поперек поля из-за нелинейных дрейфово-альфвеновских волн и используется для изучения составных частей хаотического теплового потока. Эксперименты проводятся на LAPD (Large Plasma Device) в Университете Калифорнии. Смещённый LaB₆-катод инжектирует низкоэнергетичные электроны (ниже энергии ионизации) вдоль сильного магнитного поля в предварительно созданную холодную плазму больших размеров и создаёт вкраплённые нити электронной температуры вдали от стенок камеры установки. Углеродная накладка с несколькими отверстиями используется для создания трёх нитей с электронными температурами. Изучены дрейфово-альфвеновские и тепловые волны от одной нити и проведено сравнение с предыдущими результатами, полученными в другом источнике электронов. Случай с тремя нитями демонстрирует сложную волновую картину и повышенный перенос поперёк поля.Представлено результати вивчення перенесення тепла між декількома замагніченими нитками з електронною температурою, які знаходяться в безпосередній близькості. Таке розташування дозволяє вивчати перенесення тепла поперек поля через нелінійні дрейфово-альфвенівські хвилі та використовується для вивчення складових частин хаотичного теплового потоку. Експерименти проводяться на LAPD (Large Plasma Device) в Університеті Каліфорнії. Зміщений LaB₆-катод інжектує низькоенергетичні електрони (нижче енергії іонізації) уздовж сильного магнітного поля в попередньо створену холодну плазму великих розмірів і створює украплені нитки електронної температури далеко від стінок камери установки. Вуглецева накладка з декількома отворами використовується для створення трьох ниток з електронними температурами. Вивчено дрейфово-альфвенівські та теплові хвилі від однієї нитки та проведене порівняння з попередніми результатами, що отримані в іншому джерелі електронів. Випадок з трьома нитками демонструє складну хвильову картину і підвищений перенос поперек поля

A novel Doppler backscattering (DBS) system to simultaneously monitor radio frequency plasma fluctuations and low frequency turbulence

A novel quadrature Doppler Backscattering (DBS) system has been developed and optimized for the E-band (60-90GHz) frequency range using either O-mode or X-mode polarization in DIII-D plasmas. In general, DBS measures the amplitude of density fluctuations and their velocity in the lab frame. The system can simultaneously monitor both low-frequency turbulence (f < 10MHz) and radiofrequency plasma density fluctuations over a selectable frequency range (20-500 MHz). Detection of high-frequency fluctuations has been demonstrated for low harmonics of the ion cyclotron frequency (e.g., 2fci~23MHz) and externally driven high-frequency helicon waves (f = 476MHz) using an adjustable frequency down conversion system. Importantly, this extends the application of DBS to a high-frequency spectral domain while maintaining important turbulence and flow measurement capabilities. This unique system has low phase noise, good temporal resolution (sub-millisecond) and excellent wavenumber coverage (k_{\theta} ~ 1-20cm^{-1} and k_r ~ 20-30cm^{-1}). As a demonstration, localized internal DIII-D plasma measurements are presented from turbulence (f = 20MHz) as well as fluctuations around 476MHz driven by an external high-power 476 MHz helicon wave antenna. In the future, helicon measurements will be used to validate GENRAY and AORSA modeling tools for prediction of helicon wave propagation, absorption and current drive location for the newly installed helicon current drive system on DIII-D.Comment: 13 pages, 14 figs, journal pape

Neighbourhood social capital: measurement issues and associations with health outcomes.

We compared ecometric neighbourhood scores of social capital (contextual variation) to mean neighbourhood scores (individual and contextual variation), using several health-related outcomes (i.e. self-rated health, weight status and obesity-related behaviours). Data were analysed from 5,900 participants in the European SPOTLIGHT survey. Factor analysis of the 13-item social capital scale revealed two social capital constructs: social networks and social cohesion. The associations of ecometric and mean neighbourhood-level scores of these constructs with self-rated health, weight status and obesity-related behaviours were analysed using multilevel regression analyses, adjusted for key covariates. Analyses using ecometric and mean neighbourhood scores, but not mean neighbourhood scores adjusted for individual scores, yielded similar regression coefficients. Higher levels of social network and social cohesion were not only associated with better self-rated health, lower odds of obesity and higher fruit consumption, but also with prolonged sitting and less transport-related physical activity. Only associations with transport-related physical activity and sedentary behaviours were associated with mean neighbourhood scores adjusted for individual scores. As analyses using ecometric scores generated the same results as using mean neighbourhood scores, but different results when using mean neighbourhood scores adjusted for individual scores, this suggests that the theoretical advantage of the ecometric approach (i.e. teasing out individual and contextual variation) may not be achieved in practice. The different operationalisations of social network and social cohesion were associated with several health outcomes, but the constructs that appeared to represent the contextual variation best were only associated with two of the outcomes

Electron Wave Function in Armchair Graphene Nanoribbons

By using analytical solution of a tight-binding model for armchair nanoribbons, it is confirmed that the solution represents the standing wave formed by intervalley scattering and that pseudospin is invariant under the scattering. The phase space of armchair nanoribbon which includes a single Dirac singularity is specified. By examining the effects of boundary perturbations on the wave function, we suggest that the existance of a strong boundary potential is inconsistent with the observation in a recent scanning tunneling microscopy. Some of the possible electron-density superstructure patterns near a step armchair edge located on top of graphite are presented. It is demonstrated that a selection rule for the G band in Raman spectroscopy can be most easily reproduced with the analytical solution.Comment: 7 pages, 4 figure

The relation between sleep duration and sedentary behaviours in European adults.

Too much sitting, and both short and long sleep duration are associated with obesity, but little is known on the nature of the relations between these behaviours. We therefore examined the associations between sleep duration and time spent sitting in adults across five urban regions in Europe. We used cross-sectional survey data from 6,037 adults (mean age 51.9 years (SD 16.4), 44.0% men) to assess the association between self-reported short (8 h per night) sleep duration with self-report total time spent sitting, time spent sitting at work, during transport, during leisure and while watching screens. The multivariable multilevel linear regression models were tested for moderation by urban region, age, gender, education and weight status. Because short sleepers have more awake time to be sedentary, we also used the percentage of awake time spent sedentary as an outcome. Short sleepers had 26.5 min day(-1) more sedentary screen time, compared with normal sleepers (CI 5.2; 47.8). No statistically significant associations were found with total or other domains of sedentary behaviour, and there was no evidence for effect modification. Long sleepers spent 3.2% higher proportion of their awake time sedentary compared with normal sleepers. Shorter sleep was associated with increased screen time in a sample of European adults, irrespective of urban region, gender, age, educational level and weight status. Experimental studies are needed to assess the prospective relation between sedentary (screen) time and sleep duration

Exploring why residents of socioeconomically deprived neighbourhoods have less favourable perceptions of their neighbourhood environment than residents of wealthy neighbourhoods.

Residents of socioeconomically deprived areas perceive their neighbourhood as less conducive to healthy behaviours than residents of more affluent areas. Whether these unfavourable perceptions are based on objective neighbourhood features or other factors is poorly understood. We examined individual and contextual correlates of socioeconomic inequalities in neighbourhood perceptions across five urban regions in Europe. Data were analysed from 5205 participants of the SPOTLIGHT survey. Participants reported perceptions of their neighbourhood environment with regard to aesthetics, safety, the presence of destinations and functionality of the neighbourhood, which were summed into an overall neighbourhood perceptions score. Multivariable multilevel regression analyses were conducted to investigate whether the following factors were associated with socioeconomic inequalities in neighbourhood perceptions: objectively observed neighbourhood features, neighbourhood social capital, exposure to the neighbourhood, self-rated health and lifestyle behaviours. Objectively observed traffic safety, aesthetics and the presence of destinations in the neighbourhood explained around 15% of differences in neighbourhood perceptions between residents of high and low neighbourhoods; levels of neighbourhood social cohesion explained around 52%. Exposure to the neighbourhood, self-rated health and lifestyle behaviours were significant correlates of neighbourhood perceptions but did not contribute to socioeconomic differences. This cross-European study provided evidence that socioeconomic differences in neighbourhood perceptions are not only associated with objective neighbourhood features but also with social cohesion. Levels of physical activity, sleep duration, self-rated health, happiness and neighbourhood preference were also associated with neighbourhood perceptions