Theoretical calculations of pressure broadening coefficients for H2O perturbed by hydrogen or helium gas

Halfwidths were calculated for H2O with H2 as a broadening gas and were estimated for He as the broadening species. The calculations used the model of Robert and Bonamy with parabolic trajectories and all relevant terms in the interaction potential. The calculations investigated the dependence of the halfwidth on the order of the atom-atom expansion, the rotational states, and the temperature in the range 200 to 400K. Finally, calculations were performed for many transitions of interest in the 5 micrometer window region of the spectrum. The resulting data will be supplied to Dr. R. Freedman for extracting accurate water mixing ratios from the analysis of the thermal channels for the Net Flux experiment on the Galileo probe

Measuring The Effectiveness of Groundwater Management Policies for the Carrizo-Wilcox Aquifer of Texas

In the United States, more than 80% of the population now lives in urban areas. By 2050, a significant portion of that population will live in megaregions consisting of two or more metropolitan areas linked with interdependent environmental systems, a multimodal transportation infrastructure, and complementary economies. The Texas Triangle Megaregion, one of 8 to 10 such regions in the United States, is spatially delineated by the metropolitan areas of Dallas/Fort Worth, Austin, San Antonio, and Houston, with a total land size of nearly 35,435 square kilometers. Supporting the modern industrial infrastructure of a major metropolitan megaregion has required extensive water-related modifications to the critical zone. These modifications come in the form of an extensive network of dams and reservoirs; a high-density matrix of wells for extracting water, oil, and gas from the critical zone; significant alterations of land cover; and interbasin transfer of ground and surface water. Progressive depletion of critical zone reserves threatens sustainable development in the heavily groundwater-dependent Texas Triangle and requires robust and effective water resource policy for the megaregion to remain economically viable. Facing growth that is expected to double the population of the state to more than 46 million by 2060, Texas has increased its efforts to implement comprehensive water resources planning during the past decade. State policy in Texas dictates that groundwater management is best accomplished through locally elected, locally controlled groundwater conservation districts (GCD). This study examined the effectiveness of GCDs as a water resource management tool in Texas. This research demonstrated no measurable difference in the annual rate of decline in groundwater levels in the Carrizo-Wilcox Aquifer in Texas after establishment of a GCD. The data did not show a correlation between the water allocation method used and the impact on average annual drawdown of the aquifer. The study was not able to demonstrate a relationship between the length of time a GCD has been in existence and the average annual drawdown rates in the aquifer

An intercomparison of measured pressure-broadening, pressure shifting parameters of carbon dioxide and their temperature dependence

International audienceAn intercomparison of measured pressure-broadening and pressure-shifting coefficients for carbon dioxide absorption lines was done. The work focuses on collision systems where a significant number of data can be found (CO2-N2, CO2-O2, CO2-air, and CO2-CO2) and yield information important to applications related to Earth's atmosphere. The literature was searched for measured line shape parameter data for the collision systems mentioned above. Databases were created for each perturbing gas with the ro-vibrational transition as the key. Using these databases intercomparisons of the measurements of half-widths, their temperature dependence, and line shifts were made. The data allow the investigations of trends in the data with respect to the vibrational and the rotational quantum numbers, various line shape models, and isotopologue effects

Formaldehyde around 3.5 and 5.7-µm: measurement and calculation of broadening coefficients

International audienceSelf- and N2-broadening coefficients of H2CO have been retrieved in both the 3.5 and 5.7-μm spectral regions. These coefficients have been measured in FT spectra for transitions with various J (from 0 to 25) and K values (from 0 to 10), showing a clear dependence with both rotational quantum numbers J and K. First, an empirical model is presented to reproduce the rotational dependence of the measured self- and N2-broadening coefficients. Then, calculations of N2-broadening of H2CO were made for some for 3296 2 transitions using the semi-classical Robert-Bonamy formalism. These calculations have been done for various temperatures in order to obtain the temperature dependence of the line widths. Finally, self- and N2-broadening coefficients, as well as temperature dependence of the N2-widths has been generated to complete the whole HITRAN 2008 version of formaldehyde (available as supplementary materials)

ExoMol line lists – LIV. Empirical line lists for AlH and AlD and experimental emission spectroscopy of AlD in A1Π (v = 0, 1, 2)

New ExoMol line lists AloHa for aluminium hydride (AlH and AlD) are presented improving the previous line lists WYLLoT. The revision is motivated by the recent experimental measurements and astrophysical findings involving the highly excited rotational states of AlH in its A ¹Π − X ¹Σ⁺ system. A new high-resolution emission spectrum of 10 bands from the A ¹Π − X ¹Σ⁺ system of AlD, in the region 17 300–32 000 cm⁻¹ was recorded with a Fourier transform spectrometer, which probes the predissociative A ¹Π v = 2 state. The AlD new line positions are combined with all available experimental data on AlH and AlD to construct a comprehensive set of empirical rovibronic energies of AlH and AlD covering the X ¹Σ⁺ and A ¹Π electronic states using the MARVEL approach. We then refine the spectroscopic model WYLLoT to our experimentally derived energies using the nuclear-motion code DUO and use this fit to produce improved line lists for ²⁷AlH, ²⁷AlD, and ²⁶AlH with a better coverage of the rotationally excited states of A ¹Π in the predissociative energy region. The lifetimes of the predissociative states are estimated and are included in the line list using the new ExoMol data structure, alongside the temperature-dependent continuum contribution to the photoabsorption spectra of AlH. The new line lists are shown to reproduce the experimental spectra of both AlH and AlD well, and to describe the AlH absorption in the recently reported Proxima Cen spectrum, including the strong predissociative line broadening. The line lists are included into the ExoMol data base www.exomol.com

Therapeutic end points for the treatment of atrioventricular node reentrant tachycardia by catheter-guided radiofrequency current

AbstractObjectives. The purpose off this prospective study was to test the hypothesis that the elimination of inducible repetitive atrioventricular (AV) node reentry the persistence of slow AV pathway conduction is a valid end point for radiofrequency catheter ablation procedures in patients with supraventricular tachycardia due to AV node reentry.Background. Although modification of AV node physiology by radiofrequency current can eliminate AV node reentrant tachycardia, therapeutic end points that are definitive of a satisfactory result in patients undergoing modification of the slow AV pathway have not been established. Applications of radiofrequency current at selected sites may eliminate all evidence of slow pathway conduction or sufficiently modify the refractory properties of the slow pathway to preclude sustained arrhythmias. Accordingly, total abolition of dual AV node physiology may not be necessary to prevent arrhythmia recurrence.Methods. Radiofrequency catheter ablation of the slow AV pathway was attempted in 59 patients with typical AV node reentry. Tissue ablation was performed with a continuous wave of 500-kHz radiofrequency current. Twenty-five to 35 W was applied for 60 s at the site selected for destruction.Results. Dual AV node physiology was eliminated completely in 35 patients (59%), persisted without inducible AV node reentry in 13 patients (22%) and persisted with inducible single AV reentrant beats in 11 patients (19%). In patients with persistent dual AV node physiology, the maximal difference between the effective refractory period of the fast and slow pathways was reduced from 104 ± 62 ms before the procedure to 37 ± 37 ms after AV conduction had been modified (p < 0.001). During a mean follow-up interval of 15 months (range 4 to 28), only one patient (2%) had a recurrence of the tachycardia.Conclusions. Resulte demonstrate that when complete elimination of dial AV node physiology is difficult, modification of slow pathway conduction to the extent that repetitive AV node reentry cannot be induced is a definitive end point that portends a good prognosis

The impact of spectral line wing cut-off : recommended standard method with application to MAESTRO opacity data base

KLC acknowledges funding from STFC under project number ST/V000861/1.When computing cross-sections from a line list, the result depends not only on the line strength, but also the line shape, pressure-broadening parameters, and line wing cut-off (i.e. the maximum distance calculated from each line centre). Pressure-broadening can be described using the Lorentz line shape, but it is known to not represent the true absorption in the far wings. Both theory and experiment have shown that far from the line centre, non-Lorentzian behaviour controls the shape of the wings and the Lorentz line shape fails to accurately characterize the absorption, leading to an underestimation or overestimation of the opacity continuum depending on the molecular species involved. The line wing cut-off is an often overlooked parameter when calculating absorption cross-sections, but can have a significant effect on the appearance of the spectrum since it dictates the extent of the line wing that contributes to the calculation either side of every line centre. Therefore, when used to analyse exoplanet and brown dwarf spectra, an inaccurate choice for the line wing cut-off can result in errors in the opacity continuum, which propagate into the modelled transit spectra, and ultimately impact/bias the interpretation of observational spectra, and the derived composition and thermal structure. Here, we examine the different methods commonly utilized to calculate the wing cut-off and propose a standard practice procedure (i.e. absolute value of 25 cm−1 for P ≤ 200 bar and 100 cm−1 for P > 200 bar) to generate molecular opacities which will be used by the open-access MAESTRO (Molecules and Atoms in Exoplanet Science: Tools and Resources for Opacities) data base. The pressing need for new measurements and theoretical studies of the far-wings is highlighted.Publisher PDFPeer reviewe

The impact of spectral line wing cut-off: recommended standard method with application to MAESTRO opacity data base

When computing cross-sections from a line list, the result depends not only on the line strength, but also the line shape, pressure-broadening parameters, and line wing cut-off (i.e. the maximum distance calculated from each line centre). Pressure-broadening can be described using the Lorentz line shape, but it is known to not represent the true absorption in the far wings. Both theory and experiment have shown that far from the line centre, non-Lorentzian behaviour controls the shape of the wings and the Lorentz line shape fails to accurately characterize the absorption, leading to an underestimation or overestimation of the opacity continuum depending on the molecular species involved. The line wing cut-off is an often overlooked parameter when calculating absorption cross-sections, but can have a significant effect on the appearance of the spectrum since it dictates the extent of the line wing that contributes to the calculation either side of every line centre. Therefore, when used to analyse exoplanet and brown dwarf spectra, an inaccurate choice for the line wing cut-off can result in errors in the opacity continuum, which propagate into the modelled transit spectra, and ultimately impact/bias the interpretation of observational spectra, and the derived composition and thermal structure. Here, we examine the different methods commonly utilized to calculate the wing cut-off and propose a standard practice procedure (i.e. absolute value of 25 cm−1 for P ≤ 200 bar and 100 cm−1 for P > 200 bar) to generate molecular opacities which will be used by the open-access MAESTRO (Molecules and Atoms in Exoplanet Science: Tools and Resources for Opacities) data base. The pressing need for new measurements and theoretical studies of the far-wings is highlighted

Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC Technical Report)

The report of an IUPAC Task Group, formed in 2011 on "Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory" (Project No. 2011-022-2-100), on line profiles of isolated high-resolution rotational-vibrational transitions perturbed by neutral gas-phase molecules is presented. The well-documented inadequacies of the Voigt profile (VP), used almost universally by databases and radiative-transfer codes, to represent pressure effects and Doppler broadening in isolated vibrational-rotational and pure rotational transitions of the water molecule have resulted in the development of a variety of alternative line-profile models. These models capture more of the physics of the influence of pressure on line shapes but, in general, at the price of greater complexity. The Task Group recommends that the partially Correlated quadratic-Speed-Dependent Hard-Collision profile should be adopted as the appropriate model for high-resolution spectroscopy. For simplicity this should be called the Hartmann--Tran profile (HTP). The HTP is sophisticated enough to capture the various collisional contributions to the isolated line shape, can be computed in a straightforward and rapid manner, and reduces to simpler profiles, including the Voigt profile, under certain simplifying assumptions.Comment: Accepted for publication in Pure and Applied Chemistr