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从 ConsExpo Web 使用的蒸发模型的近似解析解中获得的见解。

Insights Gained from an Approximate Analytical Solution of the Evaporation Model Used by ConsExpo Web.

机构信息

Exposure, German Federal Institute for Risk Assessment, Max-Dohrn-Straße 8-10, 10589 Berlin, Germany.

出版信息

Int J Environ Res Public Health. 2021 Mar 10;18(6):2829. doi: 10.3390/ijerph18062829.

Abstract

Evaporation of chemicals is an important source of inhalative exposure. We analyzed here the ConsExpo evaporation model, which is characterized by a set of nonlinear differential equations only solvable by numerical means. It shows qualitatively different behavior for different parameters, but the exact conditions remain unclear. This article presents an approximate analytical solution of the ConsExpo evaporation model, derived by using a specific linearization of the nonlinear equations valid for small concentrations. From this solution, three different boundary cases or regimes are found: quick release, near equilibrium, and ventilation driven regime. Depending on the evaporation regime, different parameters influence peak substance air concentration: Quick release regime: total substance amount and room volume; near equilibrium regime: vapor pressure, substance concentration in the product, and molecular weight of the product matrix; ventilation driven regime: vapor pressure, substance concentration in the product, room volume, surface area, mass transfer coefficient, ventilation rate, and molecular weight of the product matrix. A graphical method is developed to display the position of a given scenario in relation to the three regimes. Thus, the approximate analytical solution allows for a given situation to prioritize research for reducing uncertainty of the most sensitive parameters and helps to identify promising risk management measures.

摘要

化学品的蒸发是吸入暴露的一个重要来源。我们在这里分析了 ConsExpo 蒸发模型,该模型的特点是一组只能通过数值方法求解的非线性微分方程。它表现出不同参数下的定性不同的行为,但确切的条件仍不清楚。本文提出了 ConsExpo 蒸发模型的近似解析解,该解是通过对适用于小浓度的非线性方程进行特定的线性化得到的。从这个解中,发现了三种不同的边界情况或状态:快速释放、接近平衡和通风驱动状态。根据蒸发状态,不同的参数会影响空气中物质浓度的峰值:快速释放状态:物质总量和房间体积;接近平衡状态:蒸气压、产品中的物质浓度和产品基质的分子量;通风驱动状态:蒸气压、产品中的物质浓度、房间体积、表面积、传质系数、通风率和产品基质的分子量。开发了一种图形方法来显示给定场景相对于三种状态的位置。因此,近似解析解允许给定情况优先研究减少最敏感参数的不确定性,并有助于确定有希望的风险管理措施。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed2b/8000556/cc990f3c7e74/ijerph-18-02829-g001.jpg

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