Nonadiabatic calculations of ultraviolet absorption cross section of sulfur monoxide: Isotopic effects on the photodissociation reaction

2014 ◽  
Vol 140 (4) ◽  
pp. 044319 ◽  
Author(s):  
Sebastian O. Danielache ◽  
Suzuki Tomoya ◽  
Alexey Kondorsky ◽  
Ikuo Tokue ◽  
Shinkoh Nanbu
2013 ◽  
Vol 64 (3) ◽  
Author(s):  
Tay Ching En Marcus ◽  
Michael David ◽  
Maslina Yaacob ◽  
Mohd Rashidi Salim ◽  
Mohd Haniff Ibrahim ◽  
...  

Preliminary study to measure gaseous ozone concentration using ultraviolet absorption spectroscopy is presented. Firstly, background of ozone is introduced. Next, fundamental theory behind ultraviolet absorption spectroscopy is discussed based on Beer-Lambert’s Law and absorption spectrum of ozone. After that, absorption cross section of ozone is simulated via spectralcalc.com. Temperature of system is varied. Peak absorption cross section and peak absorption wavelength are found to be 1.166 ´ 10-21 m2 molecule-1 and 255.376 nm respectively at 300 K and 0 torr. Absorption cross section in ultraviolet region shows slight variation of at most 1.286 per cent when temperature is changed from 200 K to 300 K. Around room temperature, peak absorption cross section simulated in current work is consistent with previous work, because relative error is found to be small in between 1.630 per cent and 3.087 per cent. Unlike previous work, absorption of light by ozone is detected in ultraviolet region only due to weak absorption in visible region.


The absorption cross-section curve for lead vapour has been determined from 1671 to 1470 Å. Three autoionization features corresponding to the transitions 6 s 2 6 p 2 3 P 0 → 6 s 2 6 p 6 d 3 P 1 0 , 1 P 1 Ɵ and 6 s 2 6 P 8 s 1 P 1 0 were investigated and their line profile parameters determined. The value of the cross-section at the series limit (1671 Å) was found to be 10 ±1 Mb and falls to zero within each of the autoionizing features. The unperturbed photoionization continuum, in the absence of autoionization, was inferred from the experimental curve and the autoionization parameters. It was found to decrease steadily from about 15 Mb at the ionization parameters. It was found to decrease steadily from about 15 Mb at the ionization threshold to a value of less than 5 x 10 -2 Mb at 1470 Å. It is suggested that this low value of the photoionization continuum can account for the missing 6 p 9 s autoionization feature which should otherwise appear at 1470 Å.


AIP Advances ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 025120
Author(s):  
C. Stanford ◽  
M. J. Wilson ◽  
B. Cabrera ◽  
M. Diamond ◽  
N. A. Kurinsky ◽  
...  

2021 ◽  
pp. 000370282199044
Author(s):  
Wubin Weng ◽  
Shen Li ◽  
Marcus Aldén ◽  
Zhongshan Li

Ammonia (NH3) is regarded as an important nitrogen oxides (NOx) precursor and also as an effective reductant for NOx removal in energy utilization through combustion, and it has recently become an attractive non-carbon alternative fuel. To have a better understanding of thermochemical properties of NH3, accurate in situ detection of NH3 in high temperature environments is desirable. Ultraviolet (UV) absorption spectroscopy is a feasible technique. To achieve quantitative measurements, spectrally resolved UV absorption cross-sections of NH3 in hot gas environments at different temperatures from 295 K to 590 K were experimentally measured for the first time. Based on the experimental results, vibrational constants of NH3 were determined and used for the calculation of the absorption cross-section of NH3 at high temperatures above 590 K using the PGOPHER software. The investigated UV spectra covered the range of wavelengths from 190 nm to 230 nm, where spectral structures of the [Formula: see text] transition of NH3 in the umbrella bending mode, v2, were recognized. The absorption cross-section was found to decrease at higher temperatures. For example, the absorption cross-section peak of the (6, 0) vibrational band of NH3 decreases from ∼2 × 10−17 to ∼0.5 × 10−17 cm2/molecule with the increase of temperature from 295 K to 1570 K. Using the obtained absorption cross-section, in situ nonintrusive quantification of NH3 in different hot gas environments was achieved with a detection limit varying from below 10 parts per million (ppm) to around 200 ppm as temperature increased from 295 K to 1570 K. The quantitative measurement was applied to an experimental investigation of NH3 combustion process. The concentrations of NH3 and nitric oxide (NO) in the post flame zone of NH3–methane (CH4)–air premixed flames at different equivalence ratios were measured.


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