3D computational fluid and particle dynamics simulations: metrics of aerosol capture by impaction filters.

IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Journal of breath research Pub Date : 2023-10-10 DOI:10.1088/1752-7163/acfe32
Veruska Malavé, Kavita Jeerage, Edward Garboczi, Tara Lovestead
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Abstract

Human studies provide valuable information on components or analytes recovered from exhaled breath, but there are limitations due to inter-individual and intra-individual variation. Future development and implementation of breath tests based on aerosol analysis require a clear understanding of how human factors interact with device geometry to influence particle transport and deposition. The computational fluid and particle dynamics (CFPD) algorithm combines (i) the Eulerian approach to fluid dynamics and (ii) the Lagrangian approach to single particle transport and deposition to predict how particles are carried in fluids and deposited on surfaces. In this work, we developed a 3D multiscale CFPD model to provide insight into human factors that could be important to control or measure during sampling. We designed the model to characterize the local transport, spatial distribution, and deposition of polydisperse particles in a single impaction filter of a commercial aerosol collection device. We highlight the use of decoupling numerical strategies to simultaneously quantify the influence of filter geometry, fluid flowrate, and particle size. Our numerical models showed the remarkable effect of flowrate on aerosol dynamics. Specifically, aerosol mass deposition, spatial distribution, and deposition mechanisms inside the filter. This work as well as future studies on the effect of filter geometry and human factors on aerosol collection will guide the development, standardization, and validation of breath sampling protocols for current and emerging breath tests for forensic and clinical applications.

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三维计算流体和粒子动力学模拟:冲击过滤器捕获气溶胶的指标。
人体研究提供了从呼出气体中回收的成分或分析物的宝贵信息,但由于个体间和个体内的差异,存在局限性。未来基于气溶胶分析的呼吸测试的开发和实施需要清楚地了解人为因素如何与设备几何形状相互作用,以影响颗粒的传输和沉积。计算流体和粒子动力学(CFPD)算法结合了(i)流体动力学的欧拉方法和(ii)单粒子传输和沉积的拉格朗日方法,以预测粒子如何在流体中携带和沉积在表面上。在这项工作中,我们开发了一个三维多尺度CFPD模型,以深入了解采样过程中可能对控制或测量很重要的人为因素。我们设计了该模型来表征商业气溶胶收集装置的单个冲击过滤器中多分散颗粒的局部传输、空间分布和沉积。我们强调使用解耦数值策略来同时量化过滤器几何形状、流体流量和颗粒尺寸的影响。我们的数值模型显示了流量对气溶胶动力学的显著影响。具体而言,气溶胶质量沉积、空间分布和过滤器内部的沉积机制。这项工作以及未来关于过滤器几何形状和人为因素对气溶胶收集影响的研究,将指导当前和新兴的法医和临床应用呼吸测试呼吸采样协议的开发、标准化和验证。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of breath research
Journal of breath research BIOCHEMICAL RESEARCH METHODS-RESPIRATORY SYSTEM
CiteScore
7.60
自引率
21.10%
发文量
49
审稿时长
>12 weeks
期刊介绍: Journal of Breath Research is dedicated to all aspects of scientific breath research. The traditional focus is on analysis of volatile compounds and aerosols in exhaled breath for the investigation of exogenous exposures, metabolism, toxicology, health status and the diagnosis of disease and breath odours. The journal also welcomes other breath-related topics. Typical areas of interest include: Big laboratory instrumentation: describing new state-of-the-art analytical instrumentation capable of performing high-resolution discovery and targeted breath research; exploiting complex technologies drawn from other areas of biochemistry and genetics for breath research. Engineering solutions: developing new breath sampling technologies for condensate and aerosols, for chemical and optical sensors, for extraction and sample preparation methods, for automation and standardization, and for multiplex analyses to preserve the breath matrix and facilitating analytical throughput. Measure exhaled constituents (e.g. CO2, acetone, isoprene) as markers of human presence or mitigate such contaminants in enclosed environments. Human and animal in vivo studies: decoding the ''breath exposome'', implementing exposure and intervention studies, performing cross-sectional and case-control research, assaying immune and inflammatory response, and testing mammalian host response to infections and exogenous exposures to develop information directly applicable to systems biology. Studying inhalation toxicology; inhaled breath as a source of internal dose; resultant blood, breath and urinary biomarkers linked to inhalation pathway. Cellular and molecular level in vitro studies. Clinical, pharmacological and forensic applications. Mathematical, statistical and graphical data interpretation.
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