scholarly journals Параметры контура линий водяного пара при уширении гелием

2021 ◽  
Vol 129 (10) ◽  
pp. 1244
Author(s):  
Н.Н. Лаврентьева ◽  
А.С. Дударёнок
Keyword(s):  
Water Vapor ◽  
Temperature Dependence ◽  
Spectral Range ◽  
Difference Method ◽  
Energy Difference ◽  
Helium Pressure ◽  
Line Broadening ◽  
Quantum Numbers ◽  
Wide Range ◽  
Good Agreement

The averaged energy difference method has been applied to calculate the broadening coefficients of rotation vibration water vapor lines induced by helium pressure. The calculations have been performed for a wide range of rotational quantum numbers (the averaged energy difference method have been applied for J from 0 to 20, interpolation of the J-dependence have been used for J from 20 to 50) in the spectral range from 500 to 10000 cm-1. We compared the calculated H2O-He line broadening coefficients with the literature data, and a good agreement have been obtained. The temperature dependence for linewidths are calculated.

Water vapor line broadening induced by hydrogen and helium pressure

2016 ◽  
Author(s):  
Nina N. Lavrentieva ◽  
Anna S. Dudaryonok ◽  
Oleg S. Osipov
Keyword(s):  
Water Vapor ◽  
Helium Pressure ◽  
Line Broadening ◽  
Vapor Line

Line broadening mechanisms of the ortho-H2 pair spectrum

1980 ◽  
Vol 58 (9) ◽  
pp. 1341-1355 ◽  
Author(s):  
B. W. Statt ◽  
W. N. Hardy
Keyword(s):  
Temperature Dependence ◽  
Inhomogeneous Broadening ◽  
The Other ◽  
Unexpected Result ◽  
Mass Defect ◽  
Line Broadening ◽  
Upper Limit ◽  
Theoretical Predictions ◽  
Order Of Magnitude ◽  
Good Agreement

Three broadening mechanisms for the ortho pair spectrum in solid hydrogen are investigated. First, theoretical predictions of the phonon induced lifetime broadening are presented. Next a theory is developed which gives the inhomogeneous broadening due to the presence of ortho molecules surrounding the pairs. An unexpected result is that certain lines remain unbroadened, at least to within the approximations made. Strain effects due to isotopic mass defect impurities are also considered. These predictions are then compared with experimental results. No temperature dependence of the lineshapes is observed, setting an upper limit on the phonon broadening contribution to the linewidth. This limit is an order of magnitude lower than the theory predicts. The predictions of the ortho broadening theory, on the other hand, are in good agreement with experiment. Samples doped with isotopic impurities are also investigated.

scholarly journals Line broadening of SO2 and CO2 volcanic activity gases in the Earth’s atmosphere

2018 ◽  
Vol 62 ◽  
pp. 02010
Author(s):  
Anna S. Dudaryonok ◽  
Nina N. Lavrentieva ◽  
Nikolai A. Lavrentiev
Keyword(s):  
Carbon Dioxide ◽  
Quantum Number ◽  
Room Temperature ◽  
Rotational Quantum Number ◽  
Energy Difference ◽  
Empirical Method ◽  
Line Broadening ◽  
Wide Range ◽  
Line Widths ◽  
Semi Empirical

Calculations of the CO2-broadening coefficients of sulfur oxide lines by the semi-empirical method [Mol. Phys. 102 (2004) 1653] and averaged energy difference method [Atmosph. Ocean. Optics 28 (2015) 403] are presented. In this work, 41 lines are considered, the rotational quantum number J varies from 14 to 51. Calculations of the line widths are carried out for room temperature (296 K), and also for the temperature range typical for the Ears atmosphere. There is good agreement with the literature data. The carbon dioxide lines broadening coefficients induced by nitrogen, nitrogen oxide, carbon monoxide and carbon dioxide at room temperature (T = 296 K) are obtained for a wide range of the rotational quantum number J (up to 100). The temperature exponents are calculated for every line widths. The calculations were performed by a semi-empirical method, based on the semiclassical impact theory of line broadening and modified by introducing additional correction factor whose parameters can be determined by fitting the broadening or shifting coefficients to the experimental data.

An intercomparison of measured pressure-broadening and pressure-shifting parameters of water vapor

2004 ◽  
Vol 82 (6) ◽  
pp. 1013-1027 ◽  
Author(s):  
Robert R Gamache ◽  
Jean-Michel Hartmann
Keyword(s):  
Remote Sensing ◽  
Water Vapor ◽  
Temperature Dependence ◽  
Experimental Results ◽  
Data Sets ◽  
Pressure Broadening ◽  
Water Vapor Absorption ◽  
Quantum Numbers ◽  
Vapor Absorption ◽  
Measured Pressure

The present work is an intercomparison of experimental results on the pressure broadening and pressure shifting of water vapor absorption lines. The work focuses on application to the Earth's atmosphere; hence measurements of nitrogen, oxygen, air, and H2O as the buffer, or perturbing gas, were considered. The literature was searched and over 100 papers found. The data, measured half-widths, their temperature dependence, and the line shifts, were taken and databases created for each perturbing gas. The databases were reordered, grouping data for rovibrational transitions, and intercomparisons of the measurements made. Trends in the data, relationships between the data sets, and dependences on temperature and quantum numbers were investigated. The data were averaged and an estimated uncertainty determined. The averaged data sets are evaluated with respect to the need of the spectroscopic and remote sensing communities. Based on these studies, recommendations for new measurements are made.Key words: water vapor, half-widths, line shifts, temperature dependence of half-width.

Solvent-Ligand Interactions in Colloidal Nanocrystals

2018 ◽  
Author(s):  
Jonathan De Roo ◽  
Nuri Yazdani ◽  
Emile Drijvers ◽  
Alessandro Lauria ◽  
Jorick Maes ◽  
...  
Keyword(s):  
Direct Method ◽  
Line Broadening ◽  
H Nmr ◽  
Size Dependent ◽  
Line Shape Analysis ◽  
Wide Range ◽  
Nanocrystal Synthesis ◽  
Ligand Interactions ◽  
Indispensable Tool ◽  
Theoretical Evidence

<p>Although solvent-ligand interactions play a major role in nanocrystal synthesis, dispersion formulation and assembly, there is currently no direct method to study this. Here we examine the broadening of <sup>1</sup>H NMR resonances associated with bound ligands, and turn this poorly understood descriptor into a tool to assess solvent-ligand interactions. We show that the line broadening has both a homogeneous and a heterogeneous component. The former is nanocrystal-size dependent and the latter results from solvent-ligand interactions. Our model is supported by experimental and theoretical evidence that correlates broad NMR lines with poor ligand solvation. This correlation is found across a wide range of solvents, extending from water to hexane, for both hydrophobic and hydrophilic ligand types, and for a multitude of oxide, sulfide and selenide nanocrystals. Our findings thus put forward NMR line shape analysis as an indispensable tool to form, investigate and manipulate nanocolloids.</p>

Temperature Dependences in the O + OH → O2 + H Reaction. Quasiclassical Trajectory Calculation

1993 ◽  
Vol 58 (2) ◽  
pp. 234-243 ◽  
Author(s):  
Viliam Klimo ◽  
Martina Bittererová ◽  
Stanislav Biskupič ◽  
Ján Urban ◽  
Miroslav Micov
Keyword(s):  
Temperature Dependence ◽  
Energy Surface ◽  
Analytical Form ◽  
Mean Values ◽  
Quantum Numbers ◽  
Mean Lifetime ◽  
Temperature Dependences ◽  
Quasiclassical Trajectory Calculation ◽  
The Mean ◽  
Combustion Processes

The reaction O + OH → O2 + H in conditions of combustion of hydrocarbons and polymers was modelled by using the method of quasiclassical trajectories. The potential energy surface was determined by the multiconfiguration interaction method and fitted with the analytical form of the extended LEPS function. Attention was paid to the mean values of the vibrational and rotational quantum numbers of O2 molecules and their temperature dependence. The temperature dependence of the mean lifetime of the OOH collision complex was also examined. The calculated rate constants were analyzed and compared with the experimental data over the temperature region of the combustion processes.

scholarly journals Separate Universe calibration of the dependence of halo bias on cosmic web anisotropy

2020 ◽  
Vol 499 (3) ◽  
pp. 4418-4431 ◽  
Author(s):  
Sujatha Ramakrishnan ◽  
Aseem Paranjape
Keyword(s):  
Dark Matter ◽  
High Precision ◽  
Gaussian Distribution ◽  
Initial Perturbation ◽  
Analytical Framework ◽  
Web Environment ◽  
Wide Range ◽  
Galaxy Assembly ◽  
Very High ◽  
Good Agreement

ABSTRACT We use the Separate Universe technique to calibrate the dependence of linear and quadratic halo bias b1 and b2 on the local cosmic web environment of dark matter haloes. We do this by measuring the response of halo abundances at fixed mass and cosmic web tidal anisotropy α to an infinite wavelength initial perturbation. We augment our measurements with an analytical framework developed in earlier work that exploits the near-lognormal shape of the distribution of α and results in very high precision calibrations. We present convenient fitting functions for the dependence of b1 and b2 on α over a wide range of halo mass for redshifts 0 ≤ z ≤ 1. Our calibration of b2(α) is the first demonstration to date of the dependence of non-linear bias on the local web environment. Motivated by previous results that showed that α is the primary indicator of halo assembly bias for a number of halo properties beyond halo mass, we then extend our analytical framework to accommodate the dependence of b1 and b2 on any such secondary property that has, or can be monotonically transformed to have, a Gaussian distribution. We demonstrate this technique for the specific case of halo concentration, finding good agreement with previous results. Our calibrations will be useful for a variety of halo model analyses focusing on galaxy assembly bias, as well as analytical forecasts of the potential for using α as a segregating variable in multitracer analyses.

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