Comparing Antoine parameter sources for accurate vapor pressure prediction across a range of temperatures.
Comparing Antoine parameter sources for accurate vapor pressure prediction across a range of temperatures.
复制标题
比较 Antoine 参数源，以准确预测不同温度范围内的蒸气压。
DOI：
10.1093/annweh/wxae010
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发表时间：
2024
影响因子：
2.6
通讯作者：
Arnold,SusanF
中科院分区：
文献类型：
--
作者：
Moshele,Puleng;Stenzel,MarkR;Drolet,Daniel;Arnold,SusanF
确定物质在相关工艺温度下的蒸汽压是进行暴露评估以确定工人暴露的关键组成部分。然而，许多化学品在与工作环境相关的各种温度下的蒸气压数据并不容易获得。安托万方程是一个数学表达式，它将温度和蒸汽压联系起来。本分析的目的是比较来自3个独立数据源的Antoine参数数据;汉森、Yaws和Custom数据，并确定相对于CRC化学和物理手册中的参考数据集，生成最准确蒸汽压值且偏倚最小的数据源。温度预测从3个不同的安托万来源在一系列的蒸汽压为59种化学品进行比较的参考源。结果表明，使用Antoine参数预测的温度从3个来源在统计上没有显着差异，表明所有3个来源可能是有用的。但是，SDM 2.0中将使用Yaws数据集，因为该数据很容易获得且可靠。
Determining the vapor pressure of a substance at the relevant process temperature is a key component in conducting an exposure assessment to ascertain worker exposure. However, vapor pressure data at various temperatures relevant to the work environment is not readily available for many chemicals. The Antoine equation is a mathematical expression that relates temperature and vapor pressure. The objective of this analysis was to compare Antoine parameter data from 3 independent data sources; Hansen, Yaws, and Custom data and identify the source that generates the most accurate vapor pressure values with the least bias, relative to the referent data set from the CRC Handbook of Chemistry and Physics. Temperatures predicted from 3 different Antoine sources across a range of vapor pressures for 59 chemicals are compared to the reference source. The results show that temperatures predicted using Antoine parameters from the 3 sources are not statistically significantly different, indicating that all 3 sources could be useful. However, the Yaws dataset will be used in the SDM 2.0 because the data is readily available and robust.