Quantitative Structure Property Relationship Model for Hydrocarbon Liquid Viscosity Prediction

The liquid viscosity of hydrocarbon compounds is essential in the chemical engineering process design and optimization. In this paper, we developed a quantitative structure property relationship (QSPR) model to predict the hydrocarbon viscosity at different temperatures from the chemical structure. We collected viscosity data at different temperatures of 261 hydrocarbon compounds (C-3-C-64), covering n-paraffins, isoparaffins, olefins, allcynes, monocyclic and polycyclic cycloalkanes, and aromatics. We regressed the experimental data using an improved Andrade equation at first. Hydrocarbon viscosity versus temperature curves were characterized by only two parameters (named B and T-0). The QSPR model was then built to capture the complex dependence of the Andrade equation parameters upon the chemical structures. A total of 36 key chemical features (including 15 basic groups, 20 united groups, and molecular weights) were manually selected through the trial and-error process. An artificia