A new method for calculating normal boiling point of liquids
- 作者: Li Z.1, Wu W.2, Chen L.2
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隶属关系:
- College of Environmental and Chemical Engineering, Zhaoqing University
- School of Chemistry, Sun Yat-sen University
- 期: 卷 67, 编号 10 (2018)
- 页面: 1823-1830
- 栏目: Article
- URL: https://journals.rcsi.science/1066-5285/article/view/243081
- DOI: https://doi.org/10.1007/s11172-018-2295-0
- ID: 243081
如何引用文章
详细
A method for predicting normal boiling points (NBPs) of pure liquids based on linear free energy relationships (LFERs) and thermodynamics formulas is proposed. For 15 classes of chemical compounds (a total of 683 substances), correlation equations relating NBPs to molecular descriptors were obtained using stepwise regression. For all equations, the mean relative deviations (MD) lie between 0.89% and 2.83%, being mostly less than 2%. The correlation coefficients of 13 equations are larger than 0.98. The correlation equations obtained are simple, have clear physical sense, wide applicability range and provide rather high predictive power and accuracy of calculations.
作者简介
Zh. Li
College of Environmental and Chemical Engineering, Zhaoqing University
编辑信件的主要联系方式.
Email: lzwgzzd@163.com
中国, Guangdong Zhaoqing, 526061
W. Wu
School of Chemistry, Sun Yat-sen University
Email: lzwgzzd@163.com
中国, Guangzhou, 510275
L. Chen
School of Chemistry, Sun Yat-sen University
Email: lzwgzzd@163.com
中国, Guangzhou, 510275