Molecular dynamics simulations for CO2 spectra. IV. Collisional line-mixing in infrared and Raman bands

International audienceAb initio calculations of the shapes of pure CO2 infrared and Raman bands under (pressure) conditions for which line-mixing effects are important have been performed using requantized classical molecular dynamics simulations. This approach provides the autocorrelation functions of the dipole vector and isotropic polarizability whose Fourier-Laplace transforms yield the corresponding spectra. For that, the classical equations of dynamics are solved for each molecule among several millions treated as linear rigid rotors and interacting through an anisotropic intermolecular potential. Two of the approximations used in the previous studies have been corrected, allowing the consideration of line-mixing effects without use of any adjusted parameters. The comparisons between calculated and experimental spectra under various conditions of pressure and temperature demonstrate the quality of the theoretical model. This opens promising perspectives for first principle ab initio predictions of line-mixing effects in absorption and scattering spectra of various systems involving linear molecules. Copyright (2013) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in J. Chem. Phys. 138, 244310 (2013) and may be found at http://link.aip.org/link/jcpsa6/v138/i24/p244310/s

The AMMA mulid network for aerosol characterization in West Africa

Three ground based portable low power consumption microlidars (MULID) have been built and deployed at three remote sites in Banizoumbou (Niger), Cinzana (Mali) and M'Bour (Senegal) in the framework of the African Monsoon Multidisciplinary Analyses (AMMA) project for the characterization of aerosols optical properties. A description of the instrument and a discussion of the data inversion method, including a careful analysis of measurement uncertainties (systematic and statistical errors) are presented. Some case studies of typical lidar profiles observed over the Banizoumbou site during 2006 are shown and discussed with respect to the AERONET 7-day back-trajectories and the biomass burning emissions from the Combustion Emission database for the AMMA campaign

Particulate matter exposure during pregnancy is associated with birth weight, but not gestational age, 1962-1992: a cohort study

<p>Abstract</p> <p>Background</p> <p>Exposure to air pollutants is suggested to adversely affect fetal growth, but the evidence remains inconsistent in relation to specific outcomes and exposure windows.</p> <p>Methods</p> <p>Using birth records from the two major maternity hospitals in Newcastle upon Tyne in northern England between 1961 and 1992, we constructed a database of all births to mothers resident within the city. Weekly black smoke exposure levels from routine data recorded at 20 air pollution monitoring stations were obtained and individual exposures were estimated via a two-stage modeling strategy, incorporating temporally and spatially varying covariates. Regression analyses, including 88,679 births, assessed potential associations between exposure to black smoke and birth weight, gestational age and birth weight standardized for gestational age and sex.</p> <p>Results</p> <p>Significant associations were seen between black smoke and both standardized and unstandardized birth weight, but not for gestational age when adjusted for potential confounders. Not all associations were linear. For an increase in whole pregnancy black smoke exposure, from the 1^st(7.4 μg/m³) to the 25^th(17.2 μg/m³), 50^th(33.8 μg/m³), 75^th(108.3 μg/m³), and 90^th(180.8 μg/m³) percentiles, the adjusted estimated decreases in birth weight were 33 g (SE 1.05), 62 g (1.63), 98 g (2.26) and 109 g (2.44) respectively. A significant interaction was observed between socio-economic deprivation and black smoke on both standardized and unstandardized birth weight with increasing effects of black smoke in reducing birth weight seen with increasing socio-economic disadvantage.</p> <p>Conclusions</p> <p>The findings of this study progress the hypothesis that the association between black smoke and birth weight may be mediated through intrauterine growth restriction. The associations between black smoke and birth weight were of the same order of magnitude as those reported for passive smoking. These findings add to the growing evidence of the harmful effects of air pollution on birth outcomes.</p

Estimate of the Arctic Convective Boundary Layer Height from Lidar Observations: A Case Study

A new automated small size lidar system (microlidar or MULID) has been developed and employed to perform aerosol measurements since March 2010 at Ny Ålesund (78.9°N, 11.9°E), Svalbard. The lidar observations have been used to estimate the PBL height by using the gradient method based on abrupt changes in the vertical aerosol profile and monitor its temporal evolution. The scope of the present study is to compare several approaches to estimate the PBL height, by using lidar observations, meteorological measurements by radio soundings, and a zero-order one-dimensional model based on a parameterization of the turbulent kinetic energy budget within the mixing layer, under the assumptions of horizontal homogeneity, and neglecting radiation and latent heat effects. A case study is presented here for a convective PBL, observed in June 2010 in order to verify whether the Gradient Method can be applied to lidar measurements in the Arctic region to obtain the PBL height. The results obtained are in good agreement with the PBL height estimated by the analysis of thermodynamic measurements obtained from radio sounding and with the model