Hydrodynamics of Reactant Mixing in Benzene with Ethylene Alkylation

The purpose of this work is to numerically research benzene alkylation with ethylene over AlCl[3] catalyst and assess a feasibility of the alkylation reactor mixing equipment reconstruction using methods of computational fluid dynamics. To evaluate the effectiveness, a simulation of the mixing chamber was developed using ABAQUS and FlowVision software systems. It allows solving the problems in fluid dynamics modelling of liquid and gas flows mixing. Different options of reactant input were considered

Calculation Method to Determine the Group Composition of Vacuum Distillate with High Content of Saturated Hydrocarbons

Calculation method to determine the group composition of the heavy fraction of vacuum distillate with high content of saturated hydrocarbons, obtained by vacuum distillation of the residue from the West Siberian oil with subsequent hydrotreating, are given in this research. The method is built on the basis of calculation the physico-chemical characteristics and the group composition of vacuum distillate according to the fractional composition and density considering with high content of saturated hydrocarbons in the fraction. Calculation method allows to determine the content of paraffinic, naphthenic, aromatic hydrocarbons and the resins in vacuum distillate with high accuracy and can be used in refineries for rapid determination of the group composition of vacuum distillate

Thermodynamic Analysis of Benzene Alkylation with Ethylene

Thermodynamic and kinetic regularities of benzene alkylation with ethylene in the presence of aluminium chloride with the methods of quantum chemistry were defined. The method used in this study is Semi-empirical method based on Neglecting of Diatomic Overlap approximation at PM3 level. All obtained data will be used for the mathematical model development of the considered process possessing high predictive potential

Formalization of hydrocarbon conversion scheme of catalytic cracking for mathematical model development

The issue of improving the energy and resource efficiency of advanced petroleum processing can be solved by the development of adequate mathematical model based on physical and chemical regularities of process reactions with a high predictive potential in the advanced petroleum refining. In this work, the development of formalized hydrocarbon conversion scheme of catalytic cracking was performed using thermodynamic parameters of reaction defined by the Density Functional Theory. The list of reaction was compiled according to the results of feedstock structural-group composition definition, which was done by the n-d-m-method, the Hazelvuda method, qualitative composition of feedstock defined by gas chromatography-mass spectrometry and individual composition of catalytic cracking gasoline fraction. Formalized hydrocarbon conversion scheme of catalytic cracking will become the basis for the development of the catalytic cracking kinetic model

Application of Cumene Technology Mathematical Model

The work describes the existing problems of the technological systems for cumene synthesis catalyst AlCl3. The paper describes the stages of development of the mathematical model ofbenzene alkylation with propylene. The model allows the calculation of composition of the product stream when changing process parameters of the plant: temperature, molar ratio of benzene/propylene, feed space velocity. The error of the model does not exceed 7.5%. The computer modeling system "Alkylation" is developed in Borland Delphi 7, and the module optimization of the process parameters is called "Optimization". The calculations allowed reducing the catalyst consumption in the alkylation reactor (to 10-15%) and increasing the cumene concentration in the product mixture (to 25% wt.). The concentration of n-propylbenzene in the output stream is 0.05 wt%. The recommendations for optimization of the industrial alkylation unit are presented for implementation at OJSC "Omsky Kautchuk"

Strategy of transition to advanced digital intellectual production technologies of catalytic processes of transformation of hydrocarbon raw materials

In the gasoline preparation process, various products are used, such as catalytic reforming, isomerization, hydrocracking, hydrodewaxing, catalytic cracking, liquidphase catalytic alkylation processes, as well as additives such as gasoline. As a result of the catalytic activity of a bifunctional catalyst in isomerization and aromatization reactions. The yield of liquid products (C[5+]), the composition of the reformate and the octane number can be adjusted by optimizing the independent variables (temperature, pressure, consumption of raw materials) or by adding different promoters to the reaction catalytic zone (water, chlorine). Optimization of this process is a very complex multi-stage technology for processing hydrocarbon feedstock into high-octane components, and increasing its efficiency reduces the cost of the product

Optimization of Higher Alkanes Dehydrogenation Process under Conditions of Decreased Hydrogen Containing Gas Flow with Using Mathematical Modeling

The article proposes the way of saving catalyst resource and increasing the efficiency of higher alkanes dehydrogenation process using mathematical model method. The study has indicated, that reducing hydrogen/feedstock molar ratio results in balance shear of alkanes dehydrogenation reaction to alkenes, which is proved by the results of pilot operating of the alkenes production unit at Ltd. KINEF and by the mathematical model calculations. The results of the prediction calculation of optimum process parameters at various hydrogen/feedstock molar ratios are presented

Optimal Technological Parameters of Diesel Fuel Hydroisomerization Unit Work Investigation by Means of Mathematical Modelling Method

Mathematical model of diesel fuel hydroisomerization has been developed on the base of the system analysis strategy, which consists of the sequence of the following stages: thermodynamic analysis of chemical reactions possibility, the hydrocarbons conversion scheme drafting, kinetic model development, kinetic parameters estimation by means of inverse kinetic problem solution and large massive of full-scale experimental data and model verification to the real process. Using the developed model, the hydroisomerization process kinetic regularities have been investigated, the temperature influence in the range of 350–410°С, pressure influence within 4.3-9.3 MPa, hydrogen containing gas flow rate influence in the range of 5000–53000 m{3}/h while the feed flow rate is 301 m{3}/h on the product composition have been studied. An optimal technological regime has been determined