范明舫,谭良,聂长明,王宏青.一元链醇、环戊烷基链烷临界温度的三参数预报函数[J].南华大学学报(自然科学版),2005,(2):26~28.[.Predicted Function with Three Parameters Regarding the Critical Temperature of Homologous Chain Alkyl Single Alcohol and Homologous Chain Alkyl Cyclopentane[J].Journal of University of South China(Science and Technology),2005,(2):26~28.]
一元链醇、环戊烷基链烷临界温度的三参数预报函数
Predicted Function with Three Parameters Regarding the Critical Temperature of Homologous Chain Alkyl Single Alcohol and Homologous Chain Alkyl Cyclopentane
  修订日期:2004-06-28
DOI:
中文关键词:  临界温度  一致性样本  结构与性质  链醇
英文关键词:critical tempuerature,consistency specimen,structure and property,chain single alcohol
基金项目:湖南省自然科学基金资助项目(03JJY024),湖南省教育厅基金资助项目(4-02-JY-02C364).
范明舫  谭良  聂长明  王宏青
[1]南华大学化学化工学院,湖南衡阳421001 [2]南华大学数理学院,湖南衡阳421001
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中文摘要:
      本文依据由HMO理论导出的临界温度预报函数,从链状H-[-CH2-]n-OH和H-[-CH2-]n- 。同系物不确定度各异的27组临界温度文献值中甄选出一致性样本,据此拟合出临界温度预报函数中的三参数值,得到最大预报偏差分别为0.48K、0.62K,平均绝对误差分别为0.29K、0.45K,且显著优于复合基团贡献法估算精度的效果。
英文摘要:
       In this paper, based on the critical temperature predicted function educed by HMO theory, the consistency specimen were selected from homologous compound chain H-[-CH_2-]_n-OH and H-[-CH_2-]_n-?in 27-group uncertain critical temperature literatures. Thereafter three parameters in the critical temperature predicted function were chosen,and the maximum of the predicted error 0.48K, 0.62 K, and the maximum average absolute error 0.29 K, 0.45 K were obtamed.It is much better than the complex group contribution method, which calculates in estimate precision.
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