Mathematical Modelling Method Application for Optimisation of Catalytic Reforming process

The application of mathematical modelling method monitoring of catalytic reforming unit of Komsomolsk oil-refinery is proposed. The mathematical model-based system “Catalyst's Control” which takes into account both the physical and chemical mechanisms of hydrocarbon mixture conversion reaction as well as the catalyst deactivation was used for catalytic reforming installation monitoring. The models created can be used for optimization and prediction of operating parameters (octane number, reactors outlet temperature and yield) of the reforming process. It is shown, that the work on the optimal activity allows increasing product output with a constant level of production costs, and get the information about Pt-Re catalyst work efficiency

Development of Complex Mathematical Model of Light Naphtha Isomerization and Rectification Processes

The technique of developing a mathematical model of catalytic isomerization of light naphtha is stated Using experimental data from an industrial isomerization unit shows adequacy of the mathematical model to the real process. The paper presents a method for optimizing the operation of the plant together with catalytic isomerization unit and separation columns. Selection of optimal modes of separation columns allows achieving the desired flow separation between units, as well as extension of the life of the catalyst SI-2

Specifics of chemical technology of fuels and high-energy substances science-based course delivered in English

Teaching science-based courses in English is relevant for modern universities involved in the internationalization processes globally. Teaching aids development becomes very actual as academic culture and methods of teaching of the target audience - international students can be different. Thus curriculum design and teaching aids development for the science-based course Chemical Technology of Fuels and High-energy Substances delivered at TPU becomes an important issue. The level of training is PhD studies within specialty 05.17.07 Chemical Technology of Fuels and High Energy Substances. The course is intended for the subsequent sessions within the academic discipline of the professional training in English. The course embraces face-to-face sessions, independent studies, tasks and tools for formative and summative assessment of graduate students` progress

Simulation of Light Naphtha Isomerization Process

An approach to modeling the isomerization process implemented in the technological scheme with the maximum normal paraffins conversion was described. The comprehensive mathematical model was designed as a powerful tool for optimization. It is based on the influence of the feedstock composition for assessment of the current catalyst activity. According to the calculations, the optimal operating parameters are determined by the refined feedstock composition

Efficiency Improvement of the Light Gasoline Fractions Isomerization by Mathematical Modeling

Optimization and forecasting of light gasoline fractions isomerization is a complex technological issue, as it includes a variety of factors and independent parameters. The most effective solution is to use the mathematical modeling method of physical and chemical laws of the process. In this paper, we propose a method of intensification of the combined fractionation and isomerization processes of pentane-hexane fraction with the aim to improve the service durability of the catalyst SI-2 on the L-35-11 / 300 production unit. The developed complex mathematical model takes into account the influence of the feedstock composition, allows for assessment of the catalyst current activity and it is also a powerful optimization tool. According to the survey results the optimizing the feedstock composition will increase the octane number of the isomerate at 1.6-2.2 points

Improving the process of higher paraffin dehydrogenation on the basis of nonstationary kinetic model

Technological modelling system of the dehydrogenation process of С10-С13 n-paraffins, in the basis of which there is a formalized mechanism of hydrocarbons transformation on the Pt-catalyst surface has been developed. According to predictive calculation, application of the developed system allows the prolongation of catalyst life due to optimization of its operation modes as well as simulation of different variants in equipment reconstruction, in particular, at transition to operation of reactors placed in parallel

Mathematical Modelling of Diesel Fuel Hydrodesulfurization Kinetics

The experimental data for hydrogenation of sulfur compounds including benzothiophenes (BT) and dibenzothiophenes (DBT) in the diesel fuel with 1.4 mass% of sulfur content is obtained using the laboratory setup with the aluminum-cobalt-molybdenum catalyst GKD-202 at the pressure of 3.5 MPa and different temperatures. The sulfur compound removal factor reaches 98 mass%. Dynamics of DBT and BT concentrations allowed designing a kinetic model represented by the system of differential equations of individual sulfur compound rates. The kinetic model was included in the developed software. The basis of the algorithm for reverse kinetic problem solution is the method of scanning through predefined range of constants. This enables performing the calculation with an error not exceeding 0.007%. The obtained data confirmed that chemical activity increases in the order: DBT, BT, sulfides. The rate of desulfurization decreases with increase in alkyl substituents concentrations. DBT desulfurization is much worse than the one of BT. The calculated data allowed building the graphs representing BT and DBT concentration dynamics

Mathematical modeling of diesel fuel hydrotreating

Hydrotreating of the diesel fraction with the high initial sulfur content of 1,4 mass% is carried out in the flow-through laboratory setup with the industrial GKD-202 catalyst at various process temperature. On the basis of the experimental data the regularities of the hydrogenation reactions are revealed, and the formalized scheme of sulfur-containing components (sulfides, benzothiophenes, and dibenzothiophenes) transformations is made. The mathematical model of hydrotreating process is developed, the constant values for the reaction rate of hydrodesulfurization of the specified components are calculated

Thermodynamic Analysis of Catalytic Cracking Reactions as the First Stage in the Development of Mathematical Description

In this work thermodynamic analysis of catalytic cracking reaction involving the high molecular weight hydrocarbons was carried out using quantum chemical method of calculation realized in Gaussian software. The method of calculation is DFT (Density Functional Theory), theoretical approximation is B3LYP model, 3-21G basis. The list of catalytic cracking reactions for calculation was prepared on the basis of the theoretical data about catalytic cracking, laboratory and experimental data from the industrial unit. The enthalpy and Gibbs energy values of the main catalytic cracking reactions are presented under the process conditions. The results of this work will be used to develop a kinetic model of catalytic cracking of petroleum feedstock

Correction of gasoline blending recipes with the use of computer modelling system

The process of gasoline blending is a difficult multistage industrial technology. In this paper gasoline blending recipes for one of the largest refineries in Russian Federation were corrected by using of developed computer modelling system "Compounding". As the result of correction, production volume of high-octane and high-quality gasoline was increased on 47 wt. %