| 引用本文： |
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尹情胜,刘树深,李志良.烯烃的分子距离边数矢量(μ)及沸点的估计与预测[J].广西科学,1998,5(4):291-293. [点击复制]
- Yin Qingsheng,Liu Shushen,Li Zhiliang.Estimation and Prediction for Normal Boiling Point of Alkenes Based on a Novel Molecular Distance-edge Vector(μ)[J].Guangxi Sciences,1998,5(4):291-293. [点击复制]
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| 摘要: |
| 基于双键相对于单键键长的大小,提出了烯烃的分子距离边数(MDE)矢量(μ矢量);进而通过多元线性回归方法建立μ矢量与烯烃沸点之间的关系模型并进行预测,计算沸点与实验值之间的均方根误差仅为3.78K,相关系数为0.9993。 |
| 关键词: 分子距边矢量 烯烃 沸点 建模 |
| DOI： |
| 投稿时间：1998-02-26修订日期：1998-05-18 |
| 基金项目: |
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| Estimation and Prediction for Normal Boiling Point of Alkenes Based on a Novel Molecular Distance-edge Vector(μ) |
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Yin Qingsheng, Liu Shushen, Li Zhiliang
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| (Dept. of Applied Chem., Guilin Institute of Technology, Jianganlu, Guilin, Guangxi, 541004) |
| Abstract: |
| A novel molecular distance-edge vector (MDE) of alkenes,called μ vector,was proposed based on the ratio of single bond's length to double bond's.Multiple linear regression was used to develop a linear model between μ vector and the normal boiling point of alkenes with a high precision (mean squares error,MSE=3.78 K) and a good correlation (r=0.9993). |
| Key words: molecular distance-edge vector alkenes normal boiling point modelling |
