| 饱和链烃图特征和热力学性质 |
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| 引用本文： | 杨家安,江元生.饱和链烃图特征和热力学性质[J].化学学报,1983,41(10):884-895. |
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| 作者姓名： | 杨家安 江元生 |
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| 作者单位： | 吉林大学理论化学研究所 长春辽宁大学化学系(杨家安)，吉林大学理论化学研究所 长春(江元生) |
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| 摘 要： | 本文讨论饱和链烃分子异构化和热力学性质之间的关系.首先利用图论方法引进描写分子支化度的α_N指数,该指数能分辨仅有微小结构差异的饱和链烃分子,给出支化结构的合理描述.在此基础上,得到了利用分子图特征参量计算饱和链烃热力学量(如:沸点、密度、生成焓、原子生成热、折射率和色谱保留指数等)的统一表达式.
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| 关 键 词： | 热力学性质 烷烃 结构与性能关系 异构化反应 图论算法 支化 |
The graphic character and thermodynamic properties of aliphatic alkanes |
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| Abstract: | In this paper, the relationship between the isomerization of the aliphatic alkane molecules and the thermodynamic properties is studied. Using the molecular graph theory, AN index, which is able to describe the molecular branching, has been proposed. Based on this index, equations in an unified form for calculating data of various thermodynamic properties of the saturated hydrocarbons (e.g., boiling points, densities, chromatographic retention indices, enthalpies of formation, heats of atomization and refractivities) have been obtained. |
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| Keywords: | THERMODYNAMIC PROPERTIES ALKANE STRUCTURE AND PROPERTY CORRELATION ISOMERIZATION REACTION GRAPH-THEORETICAL ALGORITHMS BRANCHING |
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