Prediction of physical parameters of Jatropha biodiesel-ethanol dual fuel based on topological indices

Abstract

A new topological index method was used to construct a quantitative structure–property relationship (QSPR) prediction model for elucidating the performance indicators of the Jatropha biodiesel-ethanol (JB-E) dual fuel. This model effectively solves the problem of these physical parameters being difficult to measure. On the one hand, the QSPR prediction model has been established based on the topological indices, calorific value, density, kinematic viscosity, and solidifying point of JB-E, while the internal and external tests of the prediction model are analyzed. On the other hand, a correlation model is established between the topological indices and critical parameters of dual fuels. The results show that the exponential decay model is more effective in reflecting the relationship between the topological indices and kinematic viscosity, while the linear model is more suitable for elucidating the relationship between the topological indices, calorific value, and density. The correlation coefficients of the three models are all greater than 0.999. Moreover, the correlation model between the topological index and critical parameters Tcm, Pcm, Vcm, and Zcm is established to accurately predict the critical parameters of dual fuels. Overall, this study has laid a strong foundation for theoretical calculations and applications of dual fuels.