DFT Analysis of the Adsorption of Methyl Nitrate on Al2 O3 Surfaces

2017 ◽  
Vol 38 (6) ◽  
pp. 625-631 ◽  
Author(s):  
Yan-qun Wang ◽  
Xiu-fen Yan ◽  
Wei Xiao ◽  
You-xiang Shao
Keyword(s):  
1980 ◽  
Vol 12 (4) ◽  
pp. 231-240 ◽  
Author(s):  
W. D. Taylor ◽  
T. D. Allston ◽  
M. J. Moscato ◽  
G. B. Fazekas ◽  
R. Kozlowski ◽  
...  

1998 ◽  
Vol 25 (11) ◽  
pp. 1891-1894 ◽  
Author(s):  
F. Flocke ◽  
E. Atlas ◽  
S. Madronich ◽  
S. M. Schauffler ◽  
K. Aikin ◽  
...  

1965 ◽  
Vol 3 (3) ◽  
pp. 202-203
Author(s):  
V. A. Shlyapochnikov ◽  
I. M. Zavilovich ◽  
S. S. Novikov

1980 ◽  
Vol 11 (36) ◽  
Author(s):  
W. D. TAYLOR ◽  
T. D. ALLSTON ◽  
M. J. MOSCATO ◽  
G. B. FAZEKAS ◽  
R. KOZLOWSKI ◽  
...  

2012 ◽  
Vol 116 (24) ◽  
pp. 5972-5980 ◽  
Author(s):  
Nadezhda Butkovskaya ◽  
Alexandre Kukui ◽  
Georges Le Bras

Methyl nitrate (CH 3 ONO 2 ) is the most explosive of the nitrate esters, and previous studies have been confined mainly to the slow thermal decomposition, and to the vapour phase explosion at low pressures in closed vessels. A stationary decomposition flame has now been maintained and studied spectrographically. A t low pressures the zones of reaction are clearly separated. From the early stages of the flame strong formaldehyde bands are emitted. This decomposition flame has been successfully simulated in artificial mixtures of methyl nitrite with oxygen. The results obtained are in accord with the preliminary fission of the nitrate molecule in the pre-heat zone of the flame: CH 3 ONO 2 →CH 3 O + NO 2 . The combustion flame of m ethyl nitrate with oxygen, nitric oxide and nitrogen dioxide has also been examined at low pressures. At atmospheric pressure, m ethyl nitrite (CH 3 ONO) has been found to support a decomposition flame of very small burning velocity. However, the combustion of m ethyl nitrite with oxygen at atmospheric pressure is an extremely fast and vigorous flame. It has been observed in both pre-mixed and diffusion systems and information about the changes occurring in it have been obtained by absorption and emission spectroscopy. All the experimental results may be interpreted in terms of two general principles: the reluctance of nitric oxide to react except at high temperatures and pressures and the frequent occurrence in flames of extensive pyrolytic reactions before the main reaction zone is reached.


2008 ◽  
Vol 5 (1) ◽  
pp. 11 ◽  
Author(s):  
Claire Hughes ◽  
Adele L. Chuck ◽  
Suzanne M. Turner ◽  
Peter S. Liss

Environmental Context. The alkyl nitrates are a group of organic compounds that are known to be produced naturally in seawater. The sea-to-air flux of alkyl nitrates is believed to contribute significantly to the ‘odd nitrogen’ reservoir of the atmosphere and to play an important role in regulating tropospheric ozone levels in remote marine regions. Here we expand our knowledge of alkyl nitrate concentration distributions and saturation anomalies to Southern Ocean waters. Abstract. We report the first coupled atmosphere and seawater alkyl nitrate measurements for the Southern Ocean in the area bounded by 36–65°S, 30–70°W (November/December, 2004). Methyl and ethyl nitrate concentrations in seawater were 3.1–194.9 and 0.3–71.8 pmol L–1, respectively. Atmospheric mixing ratios ranged from 1.0 to 71.5 ppt for methyl nitrate and 0.6 to 16.6 ppt for ethyl nitrate. No correlations between alkyl nitrate distributions, and sea surface temperature, windspeed or chlorophyll a were observed. However, methyl and ethyl nitrate were well correlated in both the air and seawater, which suggests a common source. Calculations based on these observations estimate median saturation anomalies of –40% (–95 to 220%) for methyl nitrate and –11% (–98 to 174%) for ethyl nitrate. Positive saturation anomalies were spatially patchy, which suggests that some methyl and ethyl nitrate production was taking place in isolated areas of the study region. Overall our negative median saturation anomaly values suggest that during late austral spring (2004) the region of the Southern Ocean in which our measurements were made was not a net source of methyl or ethyl nitrate to the atmosphere. These results reinforce previous findings which suggest that whilst the equatorial ocean is a major source of methyl and ethyl nitrates to the atmosphere, higher latitude waters are generally at equilibrium or under-saturated. More measurements are required to assess how representative our results are of other areas of the Southern Ocean.


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