将 COST 参考等离子体射流与微流体设备耦合:计算研究

Julien Bissonnette-Dulude, Pepijn Heirman, Sylvain Coulombe, Annemie Bogaerts, Thomas Gervais, Stephan Reuter
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摘要

在等离子体-液体相互作用领域使用微流控装置可以为研究等离子体产生的反应物对环境和生物医学应用的影响提供独特的可能性。迄今为止,针对与等离子源接触的微流体设备开展的模拟工作还很少。我们报告了在新型等离子体微流控平台中发生的物理和化学过程的建模和计算模拟。等离子体和液体中活性物种的主要生成和传输途径是通过一种结合了 0D 化学动力学和 2D 传输机制的新型建模方法来模拟的。这种组合方法适用于化学物质在高佩克莱特数下单向流动的系统,与普通的二维模拟相比,计算时间大大缩短。它利用了 0D 反应模型计算时间短的优势,同时通过多次塞流模拟提供空间信息,从而产生准 2D 模型。气体和液体的流动剖面以及关键化学物质的化学反应和传输完全采用二维模拟。该模型正确预测了当微流体开口位于等离子体流出区内,而不是等离子体区内时,过氧化氢向液体中的传输会增加。此外,模拟的过氧化氢在微流体液体中的产生和传输与实验结果相差不到 50%。为了解释这种差异,我们讨论了 0D-2D 组合方法的局限性。
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Coupling the COST reference plasma jet to a microfluidic device: a computational study
The use of microfluidic devices in the field of plasma-liquid interaction can unlock unique possibilities to investigate the effects of plasma-generated reactive species for environmental and biomedical applications. So far, very little simulation work has been performed on microfluidic devices in contact with a plasma source. We report on the modelling and computational simulation of physical and chemical processes taking place in a novel plasma-microfluidic platform. The main production and transport pathways of reactive species both in plasma and liquid are modelled by a novel modelling approach that combines 0D chemical kinetics and 2D transport mechanisms. This combined approach, applicable to systems where the transport of chemical species occurs in unidirectional flows at high Péclet numbers, decreases calculation times considerably compared to regular 2D simulations. It takes advantage of the low computational time of the 0D reaction models while providing spatial information through multiple plug-flow simulations to yield a quasi-2D model. The gas and liquid flow profiles are simulated entirely in 2D, together with the chemical reactions and transport of key chemical species. The model correctly predicts increased transport of hydrogen peroxide into the liquid when the microfluidic opening is placed inside the plasma effluent region, as opposed to inside the plasma region itself. Furthermore, the modelled hydrogen peroxide production and transport in the microfluidic liquid differs by less than 50% compared with experimental results. To explain this discrepancy, the limits of the 0D-2D combined approach are discussed.
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