Sexton Kenneth G, Doyle Melanie L, Jeffries Harvey E, Ebersviller Seth
CB7431, Environmental Sciences and Engineering, School of Public Health, Columbia Street, University of North Carolina, Chapel Hill, NC 27599, USA.
Chem Biol Interact. 2007 Mar 20;166(1-3):156-62. doi: 10.1016/j.cbi.2007.01.002. Epub 2007 Jan 10.
1,3-Butadiene (BD) in the atmosphere is a highly reactive hazardous air pollutant, which has a short lifetime and is quickly transformed to reaction products, some of which are also toxic. The ability to predict exposure to BD and its' products requires models with chemical mechanisms which can simulate these transformations. The atmospheric photochemical reactions of BD have been studied in the University of North Carolina Outdoor smog chamber, which has been used for over 30 years to test photochemical mechanisms for air quality simulation models for ozone. Experiments have been conducted under conditions of real sunlight and realistic temperature and humidity to study the transformations of BD and to develop and test chemical mechanisms for the simulation of these processes. Experimental observation of time-concentration data of BD decay and the formation of many products is compared to simulation results. This chemical mechanism can be incorporated into air quality simulation models which can be used to estimate ambient concentrations needed for exposure estimates.
大气中的1,3 - 丁二烯（BD）是一种高反应性的有害空气污染物，其寿命较短，会迅速转化为反应产物，其中一些产物也具有毒性。要预测BD及其产物的暴露情况，需要具备能够模拟这些转化过程的化学机制的模型。北卡罗来纳大学户外烟雾箱对BD的大气光化学反应进行了研究，该烟雾箱已用于测试臭氧空气质量模拟模型的光化学机制30多年。实验在真实阳光以及实际温度和湿度条件下进行，以研究BD的转化过程，并开发和测试用于模拟这些过程的化学机制。将BD衰减的时间 - 浓度数据以及许多产物形成的实验观测结果与模拟结果进行比较。这种化学机制可纳入空气质量模拟模型，用于估算暴露评估所需的环境浓度。
