Search results for "METHANE"
showing 10 items of 1763 documents
The STDS Dijon system : Present status and prospects.
2009
The Dijon spectroscopy group has developed powerful techniques based on group theory and tensorial formalism in order to analyze and simulate absorption and Raman spectra of molecules with various symmetries. Software packages and databases implementing these tools have been created [1]. Compared to the widely used spectroscopic databases (HITRAN, GEISA), these packages, with their XTDS common interface [2], are primarily devoted to the calculation of line parameters and spectra from a database of model parameters. Future developments include improved fitting algorithms, inclusion of C3v symmetric tops, rovibronic couplings, uncertainty estimates. Moreover, calculated line lists will be acc…
Methane line parameters in HITRAN
2003
Abstract Two editions of the methane line parameters (line positions, intensities and broadening coefficients) available from HITRAN in 2000 and 2001 are described. In both versions, the spectral interval covered was the same (from 0.01 to 6184.5 cm −1 ), but the database increased from 48,033 transitions in 2000 to 211,465 lines in 2001 because weaker transitions of 12 CH 4 and new bands of 13 CH 4 and CH3D were included. The newer list became available in 2001 in the “Update” section of HITRAN. The sources of information are described, and the prospects for future improvements are discussed.
Revised Analysis of the Structure of the v1 Band of Methane
1983
Abstract The CARS spectrum of the v 1 band of 12 CH 4 at a pressure of 14 mbar was recorded using cw excitation in the cavity of a ring argon ion laser. The analysis of the intensity profile of the obarred spectrum led to the detection of inconsistencies with the hitherto proposed calculated positions of transitions with J = 7 to J = 10 and to a relocation of the corresponding lines.
On the ”Expanded” Local Mode Approach and Isotopic Effect (CH2D2/CH3D/CHD3) in the Methane Molecule
2010
Earlier derived, [1] - [3], for the XY2 (C2v and XY3 (C3v molecules) ”expanded local mode model” is applied to the methane-type, XH4, molecules. On the base of using os specially obtained value of the ambiguity parameter, sin gamma , simple value of all transformation coefficients, l_{N \alpha \lambda}, were obtained for the CH4 molecule. It gave us possibility, on the one hand, 1). to derive simple relations between different spectroscopic parameters (harmonic frequencies, anharmonic parameters and vibrational tetrahedral coefficients, rotational-vibrational and rotational tetrahedral coefficients) of the CH4 molecule, and, on the other hand, 2). on the base of the genegal isotopic substit…
On the 'expanded local mode' approach applied to the methane molecule: isotopic substitution CH2D2 <--- CH4
2011
International audience; On the basis of a compilation of the 'expanded local mode' model and the general isotopic substitution theory, sets of simple analytical relations between different spectroscopic parameters (harmonic frequencies, anharmonic coefficients, ro-vibrational coefficients, different kinds of Fermi- and Coriolis-type interaction parameters) of the CH2D2 molecule are derived. All of them are expressed as simple functions of a few initial spectroscopic parameters of the mother, CH4, molecule. Test calculations with the derived isotopic relations show that, in spite of a total absence of initial information about the CH2D2 species, the numerical results of the calculations have…
Global sea-to-air flux climatology for bromoform, dibromomethane and methyl iodide
2013
Volatile halogenated organic compounds containing bromine and iodine, which are naturally produced in the ocean, are involved in ozone depletion in both the troposphere and stratosphere. Three prominent compounds transporting large amounts of marine halogens into the atmosphere are bromoform (CHBr3), dibromomethane (CH2Br2) and methyl iodide (CH3I). The input of marine halogens to the stratosphere has been estimated from observations and modelling studies using low-resolution oceanic emission scenarios derived from top-down approaches. In order to improve emission inventory estimates, we calculate data-based high resolution global sea-to-air flux estimates of these compounds from surface ob…
Agroecology and Strategies for Climate Change
2012
; Sustainable agriculture is a rapidly growing field aiming at producing food and energy in a sustainable way for humans and their children. Sustainable agriculture is a discipline that addresses current issues such as climate change, increasing food and fuel prices, poor-nation starvation, rich-nation obesity, water pollution, soil erosion, fertility loss, pest control, and biodiversity depletion.Novel, environmentally-friendly solutions are proposed based on integrated knowledge from sciences as diverse as agronomy, soil science, molecular biology, chemistry, toxicology, ecology, economy, and social sciences. Indeed, sustainable agriculture decipher mechanisms of processes that occur fro…
Model, software, and database for line-mixing effects in the ν3 and ν4 bands of CH4 and tests using laboratory and planetary measurements. I. N2 (and…
2006
Absorption spectra of the infrared ν3 and ν4 bands of CH4 perturbed by N2 over large ranges of pressure and temperature have been measured in the laboratory. A theoretical approach accounting for line mixing is proposed to (successfully) model these experiments. It is similar to that of Pieroni et al. [J Chem Phys 1999;110:7717–32] and is based on state-to-state rotational cross-sections calculated with a semi-classical approach and a few empirical parameters. The latter, which enable switching from the state space to the line space, are deduced from a fit of a single room temperature spectrum of the ν3 band at 50 atm. The comparisons between numerous measured and calculated spectra under a…
Modelling hydrolysis: Simultaneous versus sequential biodegradation of the hydrolysable fractions
2018
Hydrolysis is considered the limiting step during solid waste anaerobic digestion (including co-digestion of sludge and biosolids). Mechanisms of hydrolysis are mechanistically not well understood with detrimental impact on model predictive capability. The common approach to multiple substrates is to consider simultaneous degradation of the substrates. This may not have the capacity to separate the different kinetics. Sequential degradation of substrates is theoretically supported by microbial capacity and the composite nature of substrates (bioaccessibility concept). However, this has not been experimentally assessed. Sequential chemical fractionation has been successfully used to define i…
CCDC 2031113: Experimental Crystal Structure Determination
2021
Related Article: Margarita Bulatova, Daniil M. Ivanov, Matti Haukka|2021|Cryst.Growth Des.|21|974|doi:10.1021/acs.cgd.0c01314