Rate constants of the Br-initiated gas-phase oxidation of a series of alcohols, furans and benzenes at 300±2K

Bierbach, A.; Barnes, Ian; Becker, Karl‐Heinz

doi:10.1016/s1352-2310(99)00084-9

Cited by 28 publications

(42 citation statements)

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“…For alkane oxidation by Cl atoms, we rewrite as, When alkanes are processed by the same amounts of Cl atoms (integrated with time), we can plot ln with respect to the reaction rate constant and the slope reflect the integrated Cl level. The deviation of acetylene away from the linear relationship reflects the oxidation by Br, Benzene is included with the alkanes and acetylene because it is virtually inert to halogen oxidation, the reaction rate constant of which is 4 to 5 orders of magnitude smaller than those of alkanes and acetylene [ Sokolov et al , 1998; Bierbach et al , 1999]. We define the background concentrations as the averages for aircraft samples with ozone mixing ratios between 30 and 60 ppbv under 2 km for each flight.…”

Section: Nmhcsmentioning

confidence: 99%

“…Benzene is included with the alkanes and acetylene because it is virtually inert to halogen oxidation, the reaction rate constant of which is 4 to 5 orders of magnitude smaller than those of alkanes and acetylene [Sokolov et al, 1998;Bierbach et al, 1999]. We define the background concentrations as the averages for aircraft samples with ozone mixing ratios between 30 and 60 ppbv under 2 km for each flight.…”

Section: Nmhcs As Proxies Of Halogen Radicalsmentioning

confidence: 99%

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Halogen‐driven low‐altitude O₃ and hydrocarbon losses in spring at northern high latitudes

et al. 2006

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[1] Halogen-driven ozone and hydrocarbon losses in springtime Arctic boundary layer are investigated using a regional chemical transport model. Surface observations of ozone at Alert and Barrow and aircraft observations of ozone and hydrocarbons during the Tropospheric Ozone Production about the Spring Equinox (TOPSE) experiment from February to May in 2000 are analyzed. We prescribe halogen radical distributions on the basis of GOME BrO observations. Tropospheric GOME BrO column shows an apparent anticorrelation with surface temperature over high-BrO regions. The enhancements of tropospheric BrO columns coincide with movements of cold polar air masses. While GOME BrO measurements reach the maximum in March, simulated near-surface ozone loss peaks in April because of the increasing daylight hours and hence the time for chemical processing. At its peak, the area of simulated near-surface ozone depletions (O 3 < 20 ppbv) covers >50% of the northern high latitudes. Analysis of surface measurements at Alert and Barrow points to the importance of long-range transport of ozone-poor air from high-BrO regions. We find that specifying a BrO layer thickness of 300 m results in the best overall agreement between observed and simulated ozone. The apparent halogen-driven ozone loss up to 1 km was reproduced in the model because of vertical transport of ozone-poor air from low altitudes. When the empirical Cl/Br ratios derived from previous observations are used, the model can reproduce the observed halogen loss of light alkanes and acetylene. The Cl/Br ratios from a recent box model study using an accepted chemical mechanism are, however, much higher than the empirical results. We show that the hydrocarbon loss is not as sensitive to the prescribed thickness of the halogen layer as the ozone loss, therefore representing a more robust measure for evaluating satellite BrO column measurements.

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Section: Nmhcsmentioning

confidence: 99%

Section: Nmhcs As Proxies Of Halogen Radicalsmentioning

confidence: 99%

Halogen‐driven low‐altitude O₃ and hydrocarbon losses in spring at northern high latitudes

et al. 2006

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“…Recently, much attention has been given to the furans in order to estimate the atmospheric lifetimes and fates of organic emissions. The vast majority of furans released into the atmosphere are removed by chemical reaction with OH radicals 5–7, Cl 8, NO 3 radicals 9–13, O 3 and Br 14, 15.…”

Section: Introductionmentioning

confidence: 99%

Multivariate statistical monitoring of multiphase batch processes with between‐phase transitions and uneven operation durations

Yao¹,

Dong²,

Zhao³

et al. 2011

Can J Chem Eng

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In order to achieve satisfactory monitoring, multivariate statistical process models should well reflect process nature. In manufacturing systems, many batch processes are inherently multiphase. Usually, different phases have different characteristics, while gradual transitions are often observed between phases. Another important feature of batch processes is the unevenness of operation durations. Especially, in multiphase batch processes, the situation becomes more complicated. In this study, a batch process modelling and monitoring strategy is proposed based on Gaussian mixture model (GMM), which can automatically extract phase and transition information for uneven‐duration batch processes. The application results verify the effectiveness of the proposed method. © 2011 Canadian Society for Chemical Engineering

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“…Several experimental [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] and computational studies [21][22][23] on the kinetics of furans have been reported. The kinetics of reactions for the furan and its derivatives with OH are of atmospheric interest, because these reactions represent the predominant loss process of the furans in the global or regional environment.…”

Section: Introductionmentioning

confidence: 99%

An ab initio and density functional theory study on the mechanism for the reaction of OH with 2-ethylfuran

Zhang

Feng

et al. 2008

Struct Chem

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The mechanism of the reaction of OH ? 2-ethylfuran has been investigated using the G3MP2 and G3MP2B3 levels of theory. The geometric parameters of all species involved in the reaction have been optimized at the MP2 and B3LYP levels of theory with 6-311G(d,p) basis set. The overall profile of doublet potential energy surface (PES) for the OH ? 2-ethylfuran reaction has been constructed using the G3MP2 and G3MP2B3 methods. The results show that the addition-elimination mechanism dominates the OH ? 2-ethylfuran reaction and the major products are CH 3 CH 2 C(OH)CHCHCHOH (P8) and CH 3 CH 2 COCHCHCHOH (P6).

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Rate constants of the Br-initiated gas-phase oxidation of a series of alcohols, furans and benzenes at 300±2K

Cited by 28 publications

References 0 publications

Halogen‐driven low‐altitude O₃ and hydrocarbon losses in spring at northern high latitudes

Halogen‐driven low‐altitude O₃ and hydrocarbon losses in spring at northern high latitudes

Multivariate statistical monitoring of multiphase batch processes with between‐phase transitions and uneven operation durations

An ab initio and density functional theory study on the mechanism for the reaction of OH with 2-ethylfuran

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Rate constants of the Br-initiated gas-phase oxidation of a series of alcohols, furans and benzenes at 300±2K

Cited by 28 publications

References 0 publications

Halogen‐driven low‐altitude O3 and hydrocarbon losses in spring at northern high latitudes

Halogen‐driven low‐altitude O3 and hydrocarbon losses in spring at northern high latitudes

Multivariate statistical monitoring of multiphase batch processes with between‐phase transitions and uneven operation durations

An ab initio and density functional theory study on the mechanism for the reaction of OH with 2-ethylfuran

Contact Info

Product

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Halogen‐driven low‐altitude O₃ and hydrocarbon losses in spring at northern high latitudes

Halogen‐driven low‐altitude O₃ and hydrocarbon losses in spring at northern high latitudes