Estimating Pure Component Vapor Pressures of Complex Organic Molecules
Estimating Pure Component Vapor Pressures of Complex Organic Molecules
复制标题
估计复杂有机分子的纯组分蒸气压
DOI：
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发表时间：
1997
期刊：
影响因子：
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通讯作者：
S. Yalkowsky
中科院分区：
文献类型：
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作者：
P. Myrdal;S. Yalkowsky
对 Yalkowsky−Mishra 蒸气压方程进行了沸腾项熵和沸腾项热容变化的修改。这些修改消除了系统误差，并能够估计复杂有机化合物（包括氢键化合物）的纯组分蒸气压。新的蒸气压方程仅需要了解转变温度和分子结构，对于各种温度范围内的多种化合物（蒸气压从 1 个大气压及以下）而言，它比 Yalkowky−Mishra 方程更准确。
Modifications of the entropy of boiling term and heat capacity change upon boiling term are made to the Yalkowsky−Mishra vapor pressure equation. These modifications eliminate a systematic error and enable the pure component vapor pressure estimation of complex organic compounds, including those that are hydrogen bonding. The new vapor pressure equation, which requires only the knowledge of transition temperatures and molecular structure, is shown to be more accurate than the Yalkowky−Mishra equation for a wide variety of compounds over a wide range of temperatures (vapor pressures from 1 atm and below).