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)

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

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

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 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 (pCqSD-HCP) 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. © 2014 IUPAC & De Gruyte

IUPAC Critical Evaluation of the Rotational-Vibrational Spectra of Water Vapor, Part III: Energy Levels and Transition Wavenumbers for H216O

This is the third of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, and energy levels, with associated critically reviewed labels and uncertainties, for all the main isotopologues of water. This paper presents experimental line positions, experimental-quality energy levels, and validated labels for rotational-vibrational transitions of the most abundant isotopologue of water, H216O. The latest version of the MARVEL (Measured Active Rotational-Vibrational Energy Levels) line-inversion procedure is used to determine the rovibrational energy levels of the electronic ground state of H216O from experimentally measured lines, together with their self-consistent uncertainties, for the spectral region up to the first dissociation limit. The spectroscopic network of H216O contains two components, an ortho (o) and a para (p) one. For o-H216O and p-H216O, experimentally measured, assigned, and labeled transitions were analyzed from more than 100 sources. The measured lines come from one-photon spectra recorded at room temperature in absorption, from hot samples with temperatures up to 3000K recorded in emission, and from multiresonance excitation spectra which sample levels up to dissociation. The total number of transitions considered is 184667 of which 182156 are validated: 68027 between para states and 114129 ortho ones. These transitions give rise to 18486 validated energy levels, of which 10446 and 8040 belong to o-H216O and p-H216O, respectively. The energy levels, including their labeling with approximate normal-mode and rigid-rotor quantum numbers, have been checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators as well as against previous compilations of energy levels. The extensive list of MARVEL lines and levels obtained are deposited in the supplementary data of this paper, as well as in a distributed information system applied to water, W@DIS, where they can easily be retrieved