Fluid Phase Equilibria ( IF 2.8 ) Pub Date : 2021-02-27 , DOI: 10.1016/j.fluid.2021.112986 Eugene D. Nikitin , Nataliya S. Bogatishcheva
The coefficients of equations for estimating the critical temperatures, pressures, and densities of homologous series with the general formula R1(CH2)nR2 have been calculated using the current experimental database. The equations are based on the hypothesis of functional self-similarity and the scaling behaviour of the critical constants of long-chain molecules (Nikitin et al. Fluid Phase Equilib., 2005, 235, 1). The equations allow predicting the critical constants of any member of any homologous series of this type if these quantities are known for one substance which belongs to this series. The method works well for compounds with a rather large number of CH2 groups in a molecule (). The results of calculating the critical temperatures, pressures, and densities of 16 homologous series by the proposed method have been compared with the critical properties estimated by the Constantinou/Gani, Marrero/Gani, and Hukkerikar et al. techniques.
中文翻译:
估计同源序列关键性质的自相似函数方法
使用当前的实验数据库,已经计算出用于估算具有通式R 1(CH 2)n R 2的同系物的临界温度,压力和密度的等式的系数。这些方程式基于功能自相似性的假设以及长链分子的临界常数的缩放行为(Nikitin等人,Fluid Phase Equilib。,2005,235,1)。如果知道属于该系列的一种物质的这些数量,这些方程式可以预测该类型任何同源系列的任何成员的临界常数。该方法适用于分子中具有大量CH 2基团的化合物()。将该方法计算的16个同源序列的临界温度,压力和密度的结果与Constantinou / Gani,Marrero / Gani和Hukkerikar等人估计的临界性质进行了比较。技术。