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利用计算流体动力学模拟理解由于 HONO 光解导致的室内 OH 和 HO 的空间异质性。

Understanding the Spatial Heterogeneity of Indoor OH and HO due to Photolysis of HONO Using Computational Fluid Dynamics Simulation.

机构信息

Department of Architectural Engineering , Pennsylvania State University , University Park , Pennsylvania 16802 , United States.

Department of Civil, Architectural and Environmental Engineering , Drexel University , Philadelphia , Pennsylvania 19104 , United States.

出版信息

Environ Sci Technol. 2019 Dec 17;53(24):14470-14478. doi: 10.1021/acs.est.9b06315. Epub 2019 Nov 25.

Abstract

Indoor photolysis of nitrous acid (HONO) generates hydroxyl radicals (OH), and since OH is fast reacting, it may be confined within the HONO-photolyzing indoor volume of light. This study investigated the HONO-photolysis-induced formation of indoor OH, the transformation of OH to hydroperoxy radicals (HO), and resulting spatial distributions of those radicals and their oxidation products. To do so, a computational fluid dynamics (CFD) model framework was established to simulate HONO photolysis in a room and subsequent reactions associated with OH and HO under a typical range of indoor lighting and ventilation conditions. The results showed that OH and HO were essentially confined in the volume of HONO-photolyzing light, but oxidation products were relatively well distributed throughout the room. As the light volume increased, more total in-room OH was produced, thereby increasing oxidation product concentrations. Spatial distributions of OH and HO varied by the type of artificial light (e.g., fluorescent versus incandescent), due to differences in photon flux as a function of light source and the distance from the source. The HO generation rate and air change rate made notable impacts on product concentrations.

摘要

室内亚硝酸(HONO)光解会生成羟基自由基(OH),由于 OH 反应迅速,它可能局限在 HONO 光解的室内光解体积内。本研究调查了 HONO 光解诱导室内 OH 的形成、OH 向过氧自由基(HO)的转化,以及这些自由基及其氧化产物的空间分布。为此,建立了一个计算流体动力学(CFD)模型框架,以模拟室内 HONO 光解以及在典型室内照明和通风条件下与 OH 和 HO 相关的后续反应。结果表明,OH 和 HO 基本上局限在 HONO 光解光的体积内,但氧化产物在整个房间内的分布相对较好。随着光体积的增加,室内产生的总 OH 量增加,从而增加了氧化产物的浓度。由于光源和与光源的距离不同,光子通量的差异,OH 和 HO 的空间分布因人工光源的类型(例如荧光灯与白炽灯)而异。HO 的生成速率和空气交换率对产物浓度有显著影响。

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