• Title/Summary/Keyword: CBM-IV Model

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Numerical Simulation of Complicated Photochemical Reactions Occurring in the Atmosphere (대기내 발생하는 복잡한 광화학반응에 대한 수치실험)

  • Won Gyeong-Mee;Kim Yoo-Keun;Lee Haw-Woon;Kim Hee-Jeoung
    • Journal of Environmental Science International
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    • v.15 no.3
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    • pp.203-209
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    • 2006
  • In predicting oxidants concentration, the most important fact is to select a suitable photochemical reaction mechanism. Sensitivity analysis of $O_3$ and other important photochemical oxidants concentrations was conducted by using CBM-IV model. The predicted oxidants concentration was considerably related with the initial concentration of formaldehyde, $[NO_2]/[NO],\;NO_x$, RH and RCHO. As the initial concentration of formaldehyde increased, concentration of $NO_2$ increased. $O_3$ concentration was proportional to the $[NO_2]/[NO]$ ratio. When the initial concentrations of RH and RCHO were high, photochemical reaction was more reactive, including more rapid conversion of NO to $NO_2$ and increased oxidants. Also, the sensitivities of ozone formation to rate constants, $K_l,\;K_2\;and\;K_3$ in the $NO_2$ photolysis were studied.

Sensitivity of Ozone to NOx and VOCs in a Street Canyon (도로 협곡에서 NOx와 VOCs에 대한 오존의 민감도)

  • Lee, Kwang-Yeon;Kwak, Kyung-Hwan;Park, Seung-Bu;Baik, Jong-Jin
    • Journal of Korean Society for Atmospheric Environment
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    • v.29 no.3
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    • pp.307-316
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    • 2013
  • The sensitivity of ozone to $NO_x$ and volatile organic compounds (VOCs) emission rates under different ventilation rates and $NO_2-to-NO_x$ emission ratios in a street canyon is investigated using a chemistry box model. The carbon bond mechanism IV (CBM-IV) with 36 gaseous species and 93 chemical reactions is incorporated. $NO_x$ and VOCs emission rates considered range from 0.01 to $0.30ppb\;s^{-1}$ with intervals of $0.01ppb\;s^{-1}$. Three different ventilation rates and three different $NO_2-to-NO_x$ emission ratios are considered. The simulation results show that the ozone concentration decreases with increasing $NO_x$ emission rate but increases with increasing VOCs emission rate. When the emission ratio of VOCs to $NO_x$ is smaller than about 4, the ozone concentration is lower in the street canyon than in the background. On average, the magnitude of the sensitivity of ozone to $NO_x$ emission rate is significantly larger than that to VOCs emission rate. As the $NO_x$ emission rate increases, the magnitude of the sensitivity of ozone to $NO_x$ and VOCs emission rates decreases. Because the ozone concentration is lower in the street canyon than in the background, the increased ventilation rate enhances ozone inflow from the background. Therefore, the increase in ventilation rate results in the increase in ozone concentration and the decrease in the magnitude of the sensitivity of ozone to $NO_x$ and VOCs emission rates when the emission ratio of VOCs to $NO_x$ is smaller than about 4. On the other hand, the increase in $NO_2-to-NO_x$ emission ratio results in the increase in ozone concentration because the chemical ozone production due to the $NO_2$ photolysis is enhanced. In the present experimental setup, the contribution of the change in $NO_2-to-NO_x$ emission ratio to the change in the sensitivity of ozone to $NO_x$ emission rate is larger than that of the change in ventilation rate.