摘要
液态的碳氢化合物分子体积等于官能团拓扑体积之和,即服从于加和性原则。在不同的烃类中相同的官能团有十分接近的体积贡献。官能团的拓扑体积,V（CH<sub>2</sub>）=27.24（?）<sup>3</sup>,V（CH<sub>3</sub>）=55.11（?）<sub>3</sub>,V（-CH=CH<sub>2</sub>）=70.12（?）<sup>3</sup>,V（-CH=CH-）=40.98（?）<sup>3</sup>,V（-C≡CH）=51.58（?）<sup>3</sup>,V（-C≡C-）=21.18（?）<sup>3</sup>,V（H）端部=29.32（?）<sup>3</sup>。V（C<sub>6</sub>H<sub>5</sub>-）=120.08（?）<sup>3</sup>,V（-C<sub>6</sub>H<sub>4</sub>-）=89.92（?）<sup>3</sup>,V（-C<sub>6</sub>H<sub>4</sub>=）=61.51（?）<sup>3</sup>。液态碳氢化合物的分子体积还可以用如下公式来表示。V=k+13.89·C+6.67H（?<sup>3</sup>）K为液体常数,烷、烯和炔K=40,苯同系物K=25,环烷烃K=15。C、H分别是分子中C和H的原子数。
The molecular volume of the liquid hydrocarbon equals to the sum of the topological volumes of the functional groups, conforming to the principle of additivity. The topological volume value of a functional group in all of the organic compound approximates to a constant respectively, i. e. V (CH2) =27.24 A . V (CH3) =55.11A3, V (-ch = ch2) = 70.12A3, V (-ch = ch-) =40.98A3, V (-ch=ch) = 51.58A. V (-C6H4-) =89.92A3, V (-C6=H3) =61.51A3. The topological volume of the liquid hydrocarbon can al so be obtained from the following eqation:
V = K+13.89×C+6.67×H (A3)
K refers to the liquid coefficient, K= 15 for the cyclanes. C and H are number of carbon and hydrogen atoms respectively.
出处
《沉积学报》
CAS
CSCD
北大核心
1992年第4期1-10,共10页
Acta Sedimentologica Sinica
基金
国家自然科学基金资助项目
