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Comprehensive atmospheric modeling of reactive cyclic siloxanes and their oxidation products

机译:反应性环状硅氧烷及其氧化产物的全面大气模拟

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摘要

Cyclic volatile methyl siloxanes (cVMSs) are important components inpersonal care products that transport and react in the atmosphere.Octamethylcyclotetrasiloxane (D), decamethylcyclopentasiloxane(D), dodecamethylcyclohexasiloxane (D), and their gas-phaseoxidation products have been incorporated into the Community Multiscale AirQuality (CMAQ) model. Gas-phase oxidation products, as the precursor tosecondary organic aerosol from this compound class, were included to quantifythe maximum potential for aerosol formation from gas-phase reactions with OH.Four 1-month periods were modeled to quantify typical concentrations,seasonal variability, spatial patterns, and vertical profiles. Typical modelconcentrations showed parent compounds were highly dependent on populationdensity as cities had monthly averaged peak D concentrations up to432 ng m. Peak oxidized D concentrations weresignificantly less, up to 9 ng m, and were located downwind ofmajor urban areas. Model results were compared to available measurements andprevious simulation results. Seasonal variation was analyzed and differencesin seasonal influences were observed between urban and rural locations.Parent compound concentrations in urban and peri-urban locations weresensitive to transport factors, while parent compounds in rural areas andoxidized product concentrations were influenced by large-scale seasonalvariability in OH.
机译:环状挥发性甲基硅氧烷(cVMS)是个人护理产品中在大气中运输和反应的重要成分。八甲基环四硅氧烷(D),十甲基环五硅氧烷(D),十二甲基环六硅氧烷(D)及其气相氧化产品已被纳入Community Multiscale AirQuality (CMAQ)模型。气相氧化产物是该化合物类别中次要有机气溶胶的前体,用于量化与OH气相反应形成气溶胶的最大潜力。模拟四个1个月以量化典型浓度,季节变化,空间样式和垂直轮廓。典型的模型浓度显示,母体化合物高度依赖于人口密度,因为城市每月平均D峰值浓度高达432 ng·m。氧化D的峰值浓度显着降低,高达9 ng·m,并且位于主要城市地区的下游。将模型结果与可用的测量结果和先前的模拟结果进行比较。分析季节变化并观察到城乡之间的季节影响差异。城市和郊区附近的父母化合物浓度对运输因子敏感,而农村地区的母体化合物和氧化产物浓度受OH的大规模季节性变化影响。

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