摘要
以气态链烷烃为研究对象,选取两种结构参数,并与烷烃热力学性质关联,拟合成3个成性回归方程,其相关系数分别达到0.9985、0.9980和0.9889。结果表明:C原子数对烷烃热力学性质的影响最大,取代基数量、位置和种类的影响次之。本方法计算简单,参数具有较好的结构选择性和性质相关性,为预测烷烃热力学性质提供了一个有效的方法。
Two structural parameters are chosen to study alkanes. Utilizing the link between the thermodynamic properties of alkanes and structural parameters, 3 linear equations are suggested. The related coefficients are 0. 9985, 0.9980 and 0. 9889 respectively. The result shows that the number of C atoms has the main influence on thermodynamic property, the next is substitution＇s number, position and kind. The calculation is simple and the parameters have good structural selectivity and correlativity. Therefore, an effective method is provided to forecast thermodynamic properties of alkanes.
出处
《兰州石化职业技术学院学报》
2008年第4期1-4,共4页
Journal of Lanzhou Petrochemical Polytechnic
基金
国家自然科学基金项目(20171034)
关键词
烷烃
结构参数
热力争性质
相关性
alkanes
structural parameter
thermodynamic properties
correlativity
