The 3D molecular structure of aromatic hydrocarbon was analyzed by finite element analysis to establish the stiffness matrix and vibration equation, from which nature frequency and stiffness matrix eigenvalues are calculated with MATLAB software, then QSPR model for the conductivity of liquid aromatic hydrocarbons was developed by multivariate regression method, and further performing optimization, mean value and D-value treatment on the model. The results showed that for training set (301 liquid aromatic hydrocarbons), the correlation coefficient between the results calculated by QSPR model and the experimented data is 0.979, the mean absolute error is less than 0.0024 W/(m?K), the relative error is less than 2.02%, for test set (22 liquid aromatic hydrocarbons), the correlation coefficients is 0.978, the mean absolute error is less than 0.0028 W/(m?K), the relative error is less than 2.99%.
Minghua QIU Wanqiang LIU Fengping LIU Guanfan CHEN Ming YUE
. Estimation of Thermal Conductivity of Liquid Aromatic Hydrocarbons Using Finite Element Analysis Method in Molecular Structure[J]. The Chinese Journal of Process Engineering, 2018
, 18(1)
: 196
-201
.
DOI: 10.12034/j.issn.1009-606X.217220
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