Gas chromatographic-mass spectrometric investigation of n-alkanes and carboxylic acids in bottom sediments of the northern Caspian Sea

Prior to the start of experimental oil production in the Kashagan field (northern part of the Caspian Sea), n-alkanes and carboxylic acids contained in samples obtained from bottom sediments in the area of artificial island “D” were inves- tigated by gas chromatography–mass spectrometry. Concentrations of 10 n-alkanes (composed of C 10 -C 13 , C 15 -C 20 ) and 11 carboxylic acids (composed of C 6 -C 12 , C 14 -C 16 ) were identified and measured. Concentrations of individual alkanes and carboxylic acids in bottom sediments of the various samples varied between 0.001 ÷ 0.88 μg/g and 0.001 ÷ 1.94 μg/g, respectively. Mass spectra, in particular the M+ molecular ion peak and the most intense peaks of fragment ions, are given. The present study illustrates the stability of molecular ions to electronic ionisation and the main fragment ions to the total ion current and shows that the initial fragmentation of alkanes implies radical cleavage of C 2 H 5 rather than CH 3 . All aliphatic monocarboxylic acids studied were characterised by McLafferty rearrangement leading to the formation of F 4 cation-radical with m/z 60 and F 3 cation-radical with m/z 88 in the case of ethylhexanoic acid. The formation of oxonium ions presents another important aspect of acid fragmentation. Using mass numbers of oxonium ions and rearrangement ions allows determination of the substitution character in α- and β- C atoms. The essence of our approach is to estimate the infiltration of hydrocarbon fluids from the enclosing formation into sea water, comprising an analysis of derivatives of organic compounds in bottom sediments. Thus, concentrations of derived organic molecules can serve as a basis for estimates of the depth at which hydrocarbon fluids leak, i.e., to serve as an auxiliary technique in the search for hydrocarbon deposits and to repair well leaks

Hydrotreating unit models based on statistical and fuzzy information

This paper presents the results of mathematical models’ development for hydrotreating reactor, stripping соlumn, absorbers and hydrotreating furnace which are basic units of hydrotreating block in catalytic reforming unit. Since these objects of modeling in reforming unit of Atyrau refinery operate in conditions of insufficiency and fuzziness of the initial information, their mathematical models are developed on the basis of a systematic approach, using available information of different nature (experimental-statistical data, fuzzy information from the experts), with appropriate methods of construction for mathematical models. Mathematical models, describing the dependence of the production output from the hydrotreating reactor, columns and furnace, are designed as a nonlinear regression models based on experimental-statistical data. Whereas models, evaluating the quality indicators of generated products from the hydrotreating reactor and columns, i.e., hydrogenation, hydrogen-containing and hydrocarbon-containing gases are built based on fuzzy information from specialists-experts in the form of fuzzy multiple regression equations. We have plotted the graph for the dependence of hydrogenation products output on the temperature in the hydrotreating reactor. To describe the dependence of the optimum temperature value in hydrotreating process on raw material quality, a linguistic model is designed based on compositional rules of inference and fuzzy information. Membership functions of fuzzy parameters are constructed for linguistic models

Models for Oil Refinery Waste Management Using Determined and Fuzzy Conditions

This study developed models to solve problems of optimisation, production, and consumption in waste management based on methods of system analysis. Mathematical models of the problems of optimisation and sustainable waste management in deterministic conditions and in a fuzzy environment were formulated. The income from production was maximised considering environmental standards that apply to the field of macroeconomics and microeconomics. The proposed approach used MANAGER software to formalise and solve the problem of revenue optimisation with production waste management to optimise the production of oil products with waste management at a specific technological facility of the Atyrau oil refinery in Kazakhstan. Based on the combined application of the principles of maximin and Pareto optimality, a formulation of the problem of production optimisation with waste management was obtained and a heuristic algorithm for solving the formulated fuzzy optimisation problem with waste management was developed.info:eu-repo/semantics/publishedVersio

Methods for Developing Models in a Fuzzy Environment of Reactor and Hydrotreating Furnace of a Catalytic Reforming Unit

Methods for the development of fuzzy and linguistic models of technological objects, which are characterized by the fuzzy output parameters and linguistic values of the input and output parameters of the object are proposed. The hydrotreating unit of the catalytic reforming unit was investigated and described. On the basis of experimental and statistical data and fuzzy information from experts and using the proposed methods, mathematical models of a hydrotreating reactor and a hydrotreating furnace were developed. To determine the volume of production from the outlet of the reactor and furnace, nonlinear regression models were built, and fuzzy models were developed in the form of fuzzy regression equations to determine the quality indicators of the hydrotreating unit—the hydrogenated product. To identify the structure of the models, the ideas of sequential inclusion regressors are used, and for parametric identification, a modified method of least squares is used, adapted to work in a fuzzy environment. To determine the optimal temperature of the hydrotreating process on the basis of expert information and logical rules of conditional conclusions, rule bases are built. The constructed rule bases for determining the optimal temperature of the hydrotreating process depending on the thermal stability of the feedstock and the pressure in the hydrotreating furnace are implemented using the Fuzzy Logic Toolbox application of the MatLab package. Comparison results of data obtained with the known models, developed models and real, experimental data from the hydrotreating unit of the reforming unit are presented and the effectiveness of the proposed approach to modeling is shown

Gas chromatographic-mass spectrometric investigation of n-alkanes and carboxylic acids in bottom sediments of the northern Caspian Sea

Prior to the start of experimental oil production in the Kashagan field (northern part of the Caspian Sea), n-alkanes and carboxylic acids contained in samples obtained from bottom sediments in the area of artificial island “D” were investigated by gas chromatography–mass spectrometry. Concentrations of 10 n-alkanes (composed of C10-C13, C15-C20) and 11 carboxylic acids (composed of C6-C12, C14-C16) were identified and measured. Concentrations of individual alkanes and carboxylic acids in bottom sediments of the various samples varied between 0.001 ÷ 0.88 μg/g and 0.001 ÷ 1.94 μg/g, respectively. Mass spectra, in particular the M+ molecular ion peak and the most intense peaks of fragment ions, are given. The present study illustrates the stability of molecular ions to electronic ionisation and the main fragment ions to the total ion current and shows that the initial fragmentation of alkanes implies radical cleavage of C2H5 rather than CH3. All aliphatic monocarboxylic acids studied were characterised by McLafferty rearrangement leading to the formation of F4 cation-radical with m/z 60 and F3 cation-radical with m/z 88 in the case of ethylhexanoic acid. The formation of oxonium ions presents another important aspect of acid fragmentation. Using mass numbers of oxonium ions and rearrangement ions allows determination of the substitution character in α- and β- C atoms. The essence of our approach is to estimate the infiltration of hydrocarbon fluids from the enclosing formation into sea water, comprising an analysis of derivatives of organic compounds in bottom sediments. Thus, concentrations of derived organic molecules can serve as a basis for estimates of the depth at which hydrocarbon fluids leak, i.e., to serve as an auxiliary technique in the search for hydrocarbon deposits and to repair well leaks

Gas chromatographic-mass spectrometric investigation of n-alkanes and carboxylic acids in bottom sediments of the northern Caspian Sea

Prior to the start of experimental oil production in the Kashagan field (northern part of the Caspian Sea), n-alkanes and carboxylic acids contained in samples obtained from bottom sediments in the area of artificial island “D” were inves- tigated by gas chromatography–mass spectrometry. Concentrations of 10 n-alkanes (composed of C 10 -C 13 , C 15 -C 20 ) and 11 carboxylic acids (composed of C 6 -C 12 , C 14 -C 16 ) were identified and measured. Concentrations of individual alkanes and carboxylic acids in bottom sediments of the various samples varied between 0.001 ÷ 0.88 μg/g and 0.001 ÷ 1.94 μg/g, respectively. Mass spectra, in particular the M+ molecular ion peak and the most intense peaks of fragment ions, are given. The present study illustrates the stability of molecular ions to electronic ionisation and the main fragment ions to the total ion current and shows that the initial fragmentation of alkanes implies radical cleavage of C 2 H 5 rather than CH 3 . All aliphatic monocarboxylic acids studied were characterised by McLafferty rearrangement leading to the formation of F 4 cation-radical with m/z 60 and F 3 cation-radical with m/z 88 in the case of ethylhexanoic acid. The formation of oxonium ions presents another important aspect of acid fragmentation. Using mass numbers of oxonium ions and rearrangement ions allows determination of the substitution character in α- and β- C atoms. The essence of our approach is to estimate the infiltration of hydrocarbon fluids from the enclosing formation into sea water, comprising an analysis of derivatives of organic compounds in bottom sediments. Thus, concentrations of derived organic molecules can serve as a basis for estimates of the depth at which hydrocarbon fluids leak, i.e., to serve as an auxiliary technique in the search for hydrocarbon deposits and to repair well leaks

Modeling of a Catalytic Cracking in the Gasoline Production Installation with a Fuzzy Environment

The article offers a systematic approach to the method of developing mathematical models of a chemical-technological system (CTS) in conditions of deficit and fuzziness of initial information using available data of various types. Based on the results of research and processing of the collected quantitative and qualitative information, mathematical models of the reactor are constructed. Formalized and obtained mathematical statements of the control problem for choosing effective modes of operation of technological systems are based on mathematical modeling. Based on the obtained expert information, linguistic variables were described and a database of rules describing the operation of the input parameters of the reactor unit of the catalytic cracking unit was obtained

Approach to Modeling and Control of Operational Modes for Chemical and Engineering System Based on Various Information

Method on development of mathematical models for chemical and engineering system (CES) in the conditions of deficit and illegible initial information is presented based on system approach and use of the available information sources. The method is implemented when developing models of chemical and engineering system of reforming block used for the production of high-quality gasoline. Mathematical problem definitions for control and selection of effective operating modes for chemical and engineering system are formalized and obtained on the basis of mathematical modeling. Based on principles of relative assumption and equality principles, heuristic algorithm is developed for the solution of formulated problem related to making decisions on operating modes of reactors of reforming block. Setting problems on control in the indefinite environment and heuristic algorithms for their solving are obtained by modification of various optimality principles based on theories of fuzzy sets

Improving the efficiency of technological units for the production of high-quality motor fuels using fuzzy mathematics methods

This paper investigates the problems of increasing the efficiency of technological installations of oil refineries, which produce high-octane and environmentally friendly motor fuels. We used methods of mathematical modeling and fuzzy mathematics to maximize the volume of gasoline produced and improve its quality indicators, taking into account the imposed restrictions. On the basis of a systematic approach, an effective methodology is created for the development of a package of models of interconnected plant units using available information of a different nature, including fuzzy information. The resulting package of models makes it possible to systematically simulate the work of the unit under study and to increase the efficiency of the facility by increasing the volume of manufactured target products and improving its quality indicators. There are presented results of the analysis and expert assessment of the catalytic reforming unit LG-35-11/300-95 and the choice of the optimal type of model for individual units. A scheme is being created for combining the developed models into a single package of models. On the basis of the proposed methodology, hybrid models are being developed that make it possible to determine the volume of produced catalyzate and its quality indicators

Methods for Modeling and Optimizing the Delayed Coking Process in a Fuzzy Environment

Technological objects and processes are often characterized by fuzzy initial information necessary for developing their models and optimization. The purpose of the study is to develop a method for synthesizing linguistic models of fuzzy described objects and a heuristic method for solving the multicriteria optimization problem in a fuzzy environment. Based on the expert assessments and logical rules of conditional inference, a method for synthesizing linguistic models was developed for describing processes with fuzzy input and output parameters. To solve the problem of multicriteria optimization, a heuristic method based on the modification and combination of various optimality principles is proposed. Coking reactor models were developed by modifying the successive regression inclusion method and the least squares method. Linguistic models of the delayed coking process were developed in the Fuzzy Logic Toolbox, allowing to evaluate the coke quality depending on the temperature and pressure of coking reactors. Using the proposed heuristic method, the problem of two-criteria optimization of the delayed coking process with fuzzy constraints is solved. The results confirm the advantages of the proposed fuzzy approach compared with the well-known approaches. Unlike them, the proposed method allows making adequate decisions in a fuzzy environment by maximizing the use of available fuzzy information