Overview and Computational Approach for Studying the Physicochemical Characterization of High-Boiling-Point Petroleum Fractions (350°C~+)

摘要

Overview and Computational Approach for Studying the Physicochemical Characterization of High-Boiling-Point Petroleum Fractions (350°C~+) — The processing and upgrading of high-boiling-point petroleum fractions, containing a large number of components from different groups (paraffins, olefins, naphthenes, aromatics) require an in-depth evaluation. In order to characterize them, their thermodynamic and thermophysical properties must be determined. This work presents a computational approach based on the breakdown of the petroleum fraction into pseudocomponents defined by a trial-and-error exercise in which the mass- and molar-balance errors were minimized. Cases studies are illustrated to three heavy residues 400°C~+ from "W, Y and Z" crude oil. This procedure requires the boiling point distillation curve and the density of the whole fraction as the input bulk properties. The methods proposed according to available correlations in the literature and standard industrial methods were mainly used to estimate properties that include the basic properties (normal boiling point, density and Watson factor characterization), the thermodynamic properties (molar mass and critical properties) and the thermophysical and transport properties (kinematic viscosity, thermal conductivity, specific heat capacity and vapor pressure). The methodology developed has shown to be a useful tool for calculating a remarkably broad range of physicochemical properties of high-boiling-point petroleum fractions with good accuracy when the bulk properties are available, since computational approach gave an overall absolute deviation lower than 10% when compared with the experimental results obtained in the research laboratories LDPS/LOPCA/UNICAMP.