Petroleum refining has been, is still, and is expected to remain in the next decades the main source of energy required to drive transport for mankind. The demand for automotive and aviation fuels has urged refiners to search for ways to extract more light oil products per barrel of crude oil. The heavy oil conversion processes of ebullated bed vacuum residue hydrocracking (EBVRHC) and fluid catalytic cracking (FCC) can assist refiners in their aim to produce more transportation fuels and feeds for petrochemistry from a ton of petroleum. However, a good understanding of the roles of feed quality and catalyst characteristics is needed to optimize the performance of both heavy oil conversion processes. Three knowledge discovery database techniques—intercriteria and regression analyses, and artificial neural networks—were used to evaluate the performance of commercial FCC and EBVRHC in processing 19 different heavy oils. Seven diverse FCC catalysts were assessed using a cascade and parallel fresh catalyst addition system in an EBVRHC unit. It was found that the vacuum residue conversion in the EBVRHC depended on feed reactivity, which, calculated on the basis of pilot plant tests, varied by 16.4%; the content of vacuum residue (VR) in the mixed EBVRHC unit feed (each 10% fluctuation in VR content leads to an alteration in VR conversion of 1.6%); the reaction temperature (a 1 °C deviation in reaction temperature is associated with a 0.8% shift in VR conversion); and the liquid hourly space velocity (0.01 h-1 change of LHSV leads to 0.85% conversion alteration). The vacuum gas oil conversion in the FCC unit was determined to correlate with feed crackability, which, calculated on the basis of pilot plant tests, varied by 8.2%, and the catalyst ΔCoke (each 0.03% ΔCoke increase reduces FCC conversion by 1%), which was unveiled to depend on FCC feed density and equilibrium FCC micro-activity. The developed correlations can be used to optimize the performance of FCC and EBVRHC units by selecting the appropriate feed slate and catalyst.

Ebullated bed vacuum residue hydrocracking and fluid catalytic cracking (FCC) are among the most profitable processes in modern refining. Their optimal performance is vital for petroleum refining profitability. That is why a better understanding of their combined action and the interrelations between these two heavy oil conversion processes in a real-world refinery could provide valuable information for further performance optimization. Nine distinct petroleum crudes belonging to the extra light, light, and medium petroleum crude types were processed in the LUKOIL Neftohim Burgas refinery to study the combined performance of two processes: FCC of vacuum gas oil and ebullated bed vacuum residue H-Oil hydrocracking. The operating conditions along with the characterization data of the feeds and products of both processes were evaluated through the employment of intercriteria analysis to define the variables with statistically significant relationships. Maple 2023 Academic Edition mathematics software was used to develop models to predict the vacuum residue conversion level under different operating conditions. The plug flow reactor model with an activation energy of 215 kJ/mol and a reaction order of 1.59 was found to provide the highest accuracy of vacuum residue conversion, with an average absolute deviation of 2.2%. H-Oil yields were found to correlate with the vacuum residue conversion level and the content of FCC slurry oil (SLO), the recycling of partially blended fuel oil, a material boiling point below 360 °C, and the vacuum gas oil (VGO) in the H-Oil feed. FCC conversion was found to depend on the H-Oil VGO content in the FCC feed and the content of FCC SLO in the H-Oil feed.

The exactitude of petroleum fluid molecular weight correlations affects significantly the precision of petroleum engineering calculations and can make process design and trouble-shooting inaccurate. Some of the methods in the literature to predict petroleum fluid molecular weight are used in commercial software process simulators. According to statements made in the literature, the correlations of Lee–Kesler and Twu are the most used in petroleum engineering, and the other methods do not exhibit any significant advantages over the Lee–Kesler and Twu correlations. In order to verify which of the proposed in the literature correlations are the most appropriate for petroleum fluids with molecular weight variation between 70 and 1685 g/mol, 430 data points for boiling point, specific gravity, and molecular weight of petroleum fluids and individual hydrocarbons were extracted from 17 literature sources. Besides the existing correlations in the literature, two different techniques, nonlinear regression and artificial neural network (ANN), were employed to model the molecular weight of the 430 petroleum fluid samples. It was found that the ANN model demonstrated the best accuracy of prediction with a relative standard error (RSE) of 7.2%, followed by the newly developed nonlinear regression correlation with an RSE of 10.9%. The best available molecular weight correlations in the literature were those of API (RSE = 12.4%), Goosens (RSE = 13.9%); and Riazi and Daubert (RSE = 15.2%). The well known molecular weight correlations of Lee–Kesler, and Twu, for the data set of 430 data points, exhibited RSEs of 26.5, and 30.3% respectively.

A gas chromatography high temperature simulation distillation (HTSD: ASTM D 7169), and physical vacuum distillation (ASTM D 1160) were employed to characterize H-Oil vacuum distillates, straight run vacuum distillates, and hydrotreated vacuum distillates with the aim to determine their content of diesel fraction and evaluate the possible higher extraction of diesel fraction from the heavy oils. The ASTM D 7169 reported about six times as high diesel fraction content in H-Oil heavy distillates as that reported by the ASTM D 1160 method. Performing a commercial distillation column test along with a simulation of the column operation using data of both ASTM methods and a software process simulator revealed that the HTSD is the more valid method for proper determination of the diesel fraction content in heavy oils. The software process simulation of the commercial distillation column operation suggests that the HTSD could be considered as a true boiling point distillation method for heavy oils. The separation of the diesel fraction from the H-Oil heavy distillates quantified by the HTSD could deliver oil refining profit improvement in the amount of six digits USD per year.

Ebullated bed vacuum residue hydrocracking is a well-established technology providing a high conversion level of low-value residue fractions in high-value light fuels. The main challenge in this technology when processing vacuum residues derived from different crude oils is the sediment formation rate that leads to equipment fouling and cycle length shortening. With the severity enhancement, the asphaltenes become more aromatic and less soluble which leads to sediment formation when the difference between solubility parameters of asphaltenes and maltenes goes beyond a threshold value. Although theoretical models have been developed to predict asphaltene precipitation, the great diversity of oils makes it impossible to embrace the full complexity of oil chemistry by any theoretical model making it impractical for using it in all applications. The evaluation of process data of a commercial ebullated bed vacuum residue hydrocracker, properties of different feeds, and product streams by intercriteria and regression analyses enabled us to decipher the reason for hydrocracked oil sediment content rising from 0.06 to 1.15 wt.%. The ICrA identified the presence of statistically meaningful relations between the single variables, while the regression analysis revealed the combination of variables having a statistically meaningful effect on sediment formation rate. In this study, vacuum residues derived from 16 crude oils have been hydrocracked as blends, which also contain fluid catalytic cracking heavy cycle oil and slurry oil (SLO), in a commercial H-Oil plant. It was found that the hydrocracked oil sediment content decreased exponentially with fluid catalytic cracking slurry oil augmentation. It was also established that it increased with the magnification of resin and asphaltene and the reduction in sulfur contents in the H-Oil feed.

Petroleum is a valuable mineral resource from which base fuels and innumerable materials are produced. Its optimized utilization requires a deeper understanding of its chemistry, that can be obtained by improved characterization and molecular modeling approaches. Since the introduction of the molecular modeling strategy in 1989 up to now the number of publications has increased exponentially, but a comprehensive review, that tracks the evolution in the development of molecular modeling, based on improved oil characterization methods, and process simulation in petroleum research and industry, has not appeared yet. For that reason 459 published studies, dedicated to the progress in petroleum characterization methods, which support the advance in molecular reconstitution, and to process simulation in petroleum refining, found in Scopus, American Chemical Society (ACS), Wiley, Springer, Taylor and Francis, MDPI, Google Scholar and others for the period 1989–2025 and the beginning of 2026, were reviewed. From virtual oil molecules used in the pioneering studies of molecular modeling the advance in the semi-quantitative characterization of petroleum enabled the molecular models of petroleum to become molecular-characterization-informed models. The advance in the optimization algorithms together with the progress of the hardware allowed 423-fold reduction in computation time, that enabled involvement of the molecular reconstruction models in refining process models and optimizing refining performance. The progress achieved in the molecular reconstitution of petroleum allows its application in crude oil selection in petroleum refining and for geochemistry studies.