The relevance of this study is caused by the need for import substitution of software in the field of design, modeling and optimization of the gas and oil processing. Almost all software for modeling used at oil and gas entities are the developments of the USA, Canada, Great Bri-tain and other countries. In the current conditions of sanctions risks on using imported software for modeling technological processes, the development and rapid adaptation of engineering mathematical models of all basic oil refining processes are an extremely urgent task. These models will further become the basis of Russian import-substituting software products. Over the course of 30 years, the National Research Tomsk Polytechnic University has been researching the processes of the motor fuels production. On the basis of these studies the reliable mathematical models have been developed for technologies such as catalytic reforming of gasoline, isomerization of the hy-drocarbons pentane-hexane fraction, catalytic cracking of vacuum distillate and mixed petroleum feedstock, hydroprocessing of petroleum fractions, compounding of high-octane gasolines, and others. Distinctive features of the developed mathematical models are related to fol-lowing: firstly, they are built on the basis of real industrial data on the operation units at various refineries and, secondly, they take into ac-count the main fundamental physical and chemical laws of reaction mechanisms, the catalyst deactivation as well as the macrokinetic fac-tors of motor fuel production processes. The solution of multicriteria problem of optimizing the technology of preparation of motor fuels (gasoline and diesel fuels) is possible using the method of mathematical modeling on a physical and chemical basis. This approach takes into account the thermodynamics and kinetics of hydrocarbon conversions on the catalyst surface, as well as the non-stationarity of the processes due to coking, aging and poisoning by harmful impurities of the catalyst, changes in the chemical composition of the feedstock. The aim of this study is to develop the technical solutions aimed at improving the efficiency of multi-stage gasoline production using the engineering models of oil refining processes. The method of the research is based on using the mathematical modeling method for multi-stage processes of petroleum feedstock refining. The group and individual composition of various petroleum fractions determined by chromatographic methods, were used as an initial data. Results. The effect of the component composition of the processed feedstock of catalytic reforming on the qualitative and quantitative properties of the components of commercial gasoline was estimated and predicted. The use of the catalytic cracking model showed that when processing the feedstock with a lower content of aromatic hydrocarbons and resins the coke content on the catalyst is lower by 0,15 % wt. This leads to increasing the catalyst activity and the desired product yields by 6,7 % and 4,9 wt. % in comparison with the feedstock with higher content of resins and aromatics.The maximum gasoline yield for two types of the feedstocks (55,4 and 56,5 % wt.) which is achieved at 536,0 and 534,0 degrees C was determined according to their hydrocarbon compositions. The predictive calculations with an assess-ment of how the composition of the catalytic cracking gasoline influences the formulation and commercial quality of the commercial gaso-line using the lighter catalytic cracking feedstock, were performed. The possibility of increasing the amount of the catalytic cracking gaso-line into the commercial gasoline formula is shown. The cost of motor fuel production in this case is reduced from 0,1 to 1,0 %.

Changes in the quality of the feedstocks generated by involving various petroleum fractions in catalytic cracking significantly affect catalyst deactivation, which stems from coke formed on the catalyst surface. By conducting experimental studies on feedstocks and catalysts, as well as using industrial data, we studied how the content of saturates, aromatics and resins (SAR) in feedstock and the main process variables, including temperature, consumptions of the feedstock, catalyst and slops, influence the formation of catalytic coke. We also determined catalyst deactivation patterns using TG-DTA, N2 adsorption and TPD, which were further used as a basis for a kinetic model of catalytic cracking. This model helps predict the changes in reactions rates caused by coke formation and, also, evaluates quantitatively how group characteristics of the feedstock, the catalyst-to-oil ratio and slop flow influence the coke content on the catalyst and the degree of catalyst deactivation. We defined that a total loss of acidity changes from 8.6 to 30.4 wt% for spent catalysts, and this depends on SAR content in feedstock and process variables. The results show that despite enriching the feedstock by saturates, the highest coke yields (4.6–5.2 wt%) may be produced due to the high content of resins (2.1–3.5 wt%).

ANSYS Fluent is used to examine the mixing of catalyst zeolite particles with petroleum feedstock and water vapor in a fluid catalytic cracking (FCC) riser. A two-fluid model is developed for tracking catalyst particles and gas mixture in a riser, modeling the granular and gaseous phases as two interpenetrating continua. The hydrodynamic flows are analyzed with the aim to single out the principal physical effects that determine the distribution of particles. The results are compared with a study that is based on a non-isothermal reactive model. It is demonstrated that the simplistic purely hydrodynamic model generates similar flow fields. The developed model is valuable for improvements of modern FCC risers. The model is applied for understanding the hydrodynamics of an S-200 KT-1/1 industrial unit.

This work proposes the approach to the modeling of the oil distillates catalytic hydroprocesses, based on consideration of the hydrocarbon chemical transformations, n-paraffin distribution in the feedstock by the number of carbon atoms in the molecule and n-paraffins reactivity in the target hydrocracking reaction, as well as the unsteady nature of the processes due to changes in the feedstock composition, technological modes and catalyst activity. Using the proposed approach, a mathematical model of the oil distillates hydrodewaxing process was developed. To consider the group composition in the model, an approach to recalculation of the feedstock fractional composition into the group composition was developed, as well as an approach to determination of n-paraffin distribution in oil distillates. Using the developed mathematical model, the study of the influence of hydrogen-containing gas consumption on the oil distillates hydrodewaxing process was carried out, and the process was optimized by such technological parameters as temperature and hydrogen-containing gas consumption. It was shown that when the process is carried out at optimal technological parameters, taking into account the composition of the feedstock and the dynamics of catalyst deactivation, the product yield is 1-6 % higher, and the catalyst resource increases by 10 % compared to the operation of the process at the actual (non optimal) technological parameters.

H2SO4-catalysed isobutane alkylation with alkenes is an important industrial process used to obtain high-octane alkylate. In this process, the concentration of H2SO4 is one of the main parameters. For alkylation, sulphuric acid containing 88%–98% monohydrate is typically used. However, only a H2SO4 concentration of 95%–96% enables alkylate with the maximum octane number to be obtained. Changes in H2SO4 concentration due to decontamination are the main cause of process variations. Therefore, it is necessary to maintain the reactor acid concentration at a constant level by regulating the supply of fresh catalyst and pumping out any spent acid. The main reasons for the decrease in the H2SO4 concentration are accumulation of high-molecular organic compounds and dilution by water. One way to improve and predict unsteady alkylation processes is to develop a mathematical model that considers catalyst deactivation. In the present work, the formation reactions of undesired substances were used in the description of the alkylation process, indicating the sensitivity of the prediction to H2SO4 activity variations. This was used for calculation the optimal technological modes ensuring the maximum selectivity and stability of the chemical–technological system under varying hydrocarbon feedstock compositions.

The problems of catalyst deactivation and optimization of the mixed feedstock become more relevant when the residues are involved as a catalytic cracking feedstock. Through numerical and experimental studies of catalytic cracking, we optimized the composition of the mixed feedstock in order to minimize the catalyst deactivation by coke. A pure vacuum gasoil increases the yields of the wet gas and the gasoline (56.1 and 24.9 wt%). An increase in the ratio of residues up to 50% reduces the gasoline yield due to the catalyst deactivation by 19.9%. However, this provides a rise in the RON of gasoline and the light gasoil yield by 1.9 units and 1.7 wt% Moreover, the ratio of residue may be less than 50%, since the conversion is limited by the regenerator coke burning ability.

This work presents the development of catalytic cracking mathematical model which is based on the thermodynamic and kinetic patterns of hydrocarbon conversions and takes into account the catalyst deactivation. This model provides a prediction of the catalytic cracking performance when the mixture of vacuum distillate from heavy Kazakhstan and West Siberian oils converts. The mathematical model helps predict the yield and composition of products depending on the feedstock properties and the operating variables of the riser. We develop practical recommendations to organize the riser technological mode to ensure the maximum yield of gasoline (52.6-56.1 wt.%), PPF and BBF (8.3-11.2 and 15.2-20.1 wt.%) when saturated and resinous feedstock converts.

Synthesis of surfactants based on linear alkylbenzenesulfonates is a complex multi-stage process that includes the following stages: alkanes dehydrogenation on Pt-containing catalyst, dienes hydrogenation on Ni-containing catalyst, HF-catalyzed alkylation of benzene with alkenes, and sulfonation of linear alkylbenzenes (LAB) with sulfur trioxide in a film reactor yielding alkylbenzene sulfonic acid (ABSA). When developing mathematical models of multi-stage processes it is necessary to consider the contingency of the apparatuses in the chemical-technological system. The design of the sulfonation reactor, as well as the feedstock composition and the dehydrogenation unit performance, i.e., the LAB flowrate to sulforator, significantly affects the ABSA synthesis efficiency. The studies were performed using the unsteady mathematical models of conjugated dehydrogenation and sulfonation processes. As a result, we determined the optimal design of the sulfonation reactor with number of tubes n = 40 and diameter d = 43 mm. We also outlined the preferred method for increasing the ABSA yield by switching to a double-reactor alkane dehydrogenation scheme with a flowrate of 100 m3/h for two dehydrogenation reactors. This increases yield of alkenes and LAB by 71 %wt.

An unsteady mathematical model and a computer modeling system of the diesel fuel catalytic dewaxing process (mild hydrocracking) were developed. The modeling system allows for calculating the optimal technological mode to produce low-freezing diesel fuel with the required cold filter plugging point taking into account the feedstock composition and catalyst activity. The modeling system consists of the main blocks: database, knowledge base, unsteady mathematical model of the diesel fuel catalytic dewaxing process, and application program package. Using the developed computer modeling system, the influence of the feedstock composition and flow rate as well as of the catalyst activity on the cold filter plugging point and the yield of diesel fuel is demonstrated.

One way to improve and predict unsteady processes of petroleum fuel production is to develop a mathematical model, that considers the feedstock composition. A study of various feedstock deep refining processes is particularly important. In this paper, we present the prediction of the catalytic cracking unit under feedstock base expansion by using oil fractions with a higher boiling point. The zeolite-containing catalyst with ZSM-5/Y ratio = 0.11 was used in this work. A new kinetic model involving the high molecular weight of C13–C40 hydrocarbons, gasoline groups, gas individual hydrocarbons and coke formation reactions was developed. The feed comprehensive studies, the development and application of a mathematical model allow assessing the feasibility of various feedstock types involvement. The impact of four feedstock types on the yield of catalytic cracking products, catalyst deactivation degree, gasoline and gas composition, and octane number were determined. Among the feedstocks under study are West Siberian oil vacuum gas oil, a mixture of Kazakhstan and West Siberian oil, a mixture of vacuum and atmospheric gas oil with residual feedstock (extract, slack waxes, petrolatum, deasphalting agent, raffinate), a mixture of vacuum distillate and residual feedstock (extracts, slack waxes).

Abstract The work is aimed at establishing the thermodynamic, kinetic and hydrodynamic regularities of the vacuum gas oil catalytic cracking and the zeolite-containing catalysts regeneration, which served as a catalytic cracking reactor mathematical model development basis. The prediction calculations ensured the catalyst circulation ratio optimization depending on the catalyst flow temperature after regeneration. To maintain the gasoline fraction maximum yield (58.47 and 58.38 wt%) it is necessary to keep the catalyst circulation ratio at the level of 6 and 9.5 tonscat/tonsfeed if the catalyst flow temperature after regeneration are 700 and 650 °C, respectively.

Linear alkylbenzene sulfonic acid (ABSA) is a valuable product of inorganic chemistry that is used to obtain linear alkylbenzene sulfonates. The current method for industrial production of ABSA includes sulfonation of linear alkylbenzene (LAB) with sulfur trioxide in tubular falling film reactors. In this work, we analyze the dependence of the dynamics of the deactivating components formation (tetralines and sulfones) on the structural parameters for a multi-tube film sulfonation reactor. To achieve this, we used an unsteady-state mathematical model that considers the feedstock composition and the change in the reaction medium activity. We determined that the film sulfonation reactor of optimal construction has 40 tubes of diameter of 43 mm. It was revealed that with an increase of the LAB supply to the reactor tube, the mass transfer coefficient also increases. For LAB flows of (95 center dot 10(-5)) and (2.86 center dot 10(-5)) m(3)s(-1)per tube, the mass transfer coefficient is (1.73 center dot 10(-2)) m s(-1)and (2.08 center dot 10(-2)) m s(-1), respectively.

The problem of energy efficiency has always been the most significant in the economy. Its solution is related to the technologies of many industries. The most significant are the reserves of energy efficiency of the use of hydrocarbon fuels, which are observed at all stages of production of high-energy hydrocarbon fuels. This is largely due to the extensive scientific search for alternative energy sources and stagnation in the conduct of search and fundamental studies of the processes of producing motor fuels from hydrocarbon raw materials. A new energy-efficient technology for the production of high-energy, low-freezing hydrocarbon fuels for the Arctic was created by solving the problem of multi-object optimization.

The paper presents the results of mathematical model-based predictive calculations of the processed feedstock features and regenerated catalyst activity influence on the catalytic cracking products yield, taking into account the catalyst deactivation by coke, nickel, and vanadium. It was found that when the feedstock composition, nickel (0–0.00006 wt%), and vanadium (0–0.00019 wt%) in the process feedstock change, the activity of the catalyst reaches 7.1% and 10.4% for the reactions catalyzed by zeolites Y and ZSM-5, respectively. The process target products yield (gasoline fraction and wet gas) changes by 3.62 wt% and 2.7 wt% with an increase in the ratio of saturated and aromatic hydrocarbons from 1.8 to 3.2 units.

In this work, the mathematical model of the process of diesel fuels catalytic dewaxing was developed. Calculations on the mathematical model show the effect of temperature, feedstock composition and catalyst activity on the catalytic dewaxing process. It was established that operation of the process under optimal conditions, determined by calculations on the mathematical model, increases the catalyst service life by 6%.

This paper proposes a model of the cracking process considering the catalyst deactivation by Ni, V and coke. The developed model is sensitive to the feedstock composition and describes the kinetics of cracking reactions leading to coke formation, the structural and selective properties of the catalyst. It also reflects the main technological parameters. The forecast calculations showed that when the resins and Ni contents in the feedstock increase by 4.2 wt% and 0.6 ppm, the coke contents on the catalyst increase by 0.75 and 0.32 wt% wt. under the other equal conditions. The catalyst activity decreases by 4.4% relative to initial value along with increasing the V content in the feedstock by 1.9 ppm due to its dealumination. If the Ni with V co-presence in the catalytic cracking feedstock and the Ni content increases by 0.6 ppm, the V destructive effect reduces by 1.2% due to reaction of Ni with the vanadic acid, also Ni on the catalyst increases the catalyst dehydrogenation activity. According to the calculations performed, the yield of the gasoline fraction changes by 4.43 wt%, depending on the feedstock composition (CSH/CAH = 1.6-1.8 units), other things being equal.