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Kinetic multi-layer model of film formation, growth, and chemistry (KM-FILM): Boundary layer processes, multi-layer adsorption, bulk diffusion, and heterogeneous reactions
Indoor Air ( IF 4.3 ) Pub Date : 2021-05-15 , DOI: 10.1111/ina.12854
Pascale S J Lakey 1 , Clara M A Eichler 2, 3 , Chunyi Wang 2 , John C Little 2 , Manabu Shiraiwa 1
Affiliation  

Large surface area-to-volume ratios indoors cause heterogeneous interactions to be especially important. Semi-volatile organic compounds can deposit on impermeable indoor surfaces forming thin organic films. We developed a new model to simulate the initial film formation by treating gas-phase diffusion and turbulence through a surface boundary layer and multi-layer reversible adsorption on rough surfaces, as well as subsequent film growth by resolving bulk diffusion and chemical reactions in a film. The model was applied with consistent parameters to reproduce twenty-one sets of film formation measurements due to multi-layer adsorption of multiple phthalates onto different indoor-relevant surfaces, showing that the films should initially be patchy with the formation of pyramid-like structures on the surface. Sensitivity tests showed that highly turbulent conditions can lead to the film growing by more than a factor of two compared to low turbulence conditions. If surface films adopt an ultra-viscous state with bulk diffusion coefficients of less than 10−18 cm2 s−1, a significant decrease in film growth is expected. The presence of chemical reactions in the film has the potential to increase the rate of film growth by nearly a factor of two.

中文翻译:

薄膜形成、生长和化学的动力学多层模型 (KM-FILM):边界层过程、多层吸附、体扩散和非均相反应

室内较大的表面积与体积比导致异质相互作用特别重要。半挥发性有机化合物可以沉积在不透水的室内表面上,形成有机薄膜。我们开发了一种新模型,通过处理通过表面边界层的气相扩散和湍流以及粗糙表面上的多层可逆吸附,以及通过解析膜中的体扩散和化学反应来模拟后续的膜生长,从而模拟初始膜的形成. 由于多种邻苯二甲酸酯多层吸附在不同的室内相关表面上,该模型被应用一致的参数来重现 21 组成膜测量,这表明薄膜最初应该是斑驳的,在表面形成金字塔状结构。表面。灵敏度测试表明,与低湍流条件相比,高湍流条件会导致薄膜增长超过两倍。如果表面膜采用体扩散系数小于 10 的超粘性状态-18  cm 2 s -1,预计薄膜生长显着下降。薄膜中化学反应的存在有可能将薄膜的生长速度提高近两倍。
更新日期:2021-05-15
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