Donetsk National Technical University (DonNTU)

Moskaliuk Yelena Nikolayevna

lady_love@land.ru
The Faculty of Computer Information Technology and Automation (CITA)
Speciality: Automated Control Systems (ACS)
Subject: "Designing a Computerized Optimization Subsystem of the Work of a Chemical Reactor (examplified by ammonia production)"
Supervisor: assistant professor of the ACS department Volodyn Nikolai Alexandrovich

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Ammonia and ways of its production.

1.Chemical reactors (Berlin Prut E.V., 2000), CHEMISTRY. The basic models of chemical reactors and principles of their work are analysed. The special attention is given to application extrusion machines as reactors for carrying out of chemical reactions in viscous polymeric environments. The opportunity of application extrusion machines for crushing polymeric materials and carrying out of chemical reactions of synthesis and updating polymers in a firm phase is considered.
URL: http://www.pereplet.ru/obrazovanie/stsoros/975.html

2. Nitrogen(N). Here is resulted the description of this chemical element, its chemical and physical properties, reception and application, basically for industrial production of ammonia.
URL: http://tdatchiki.ru/table_n.html

3.Ammonia. The material contains the historical information on the given connection how needs for nitric connections grew, and also the basic industrial ways of synthesis of ammonia.
URL: http://chemistry.narod.ru/razdeli/agrochemistry/NH3.htm

4.AMMONIA. The material contains the historical information of opening of ammonia, its chemical, physical properties, the description of some experiences is resulted, connections of ammonia with metals and many other things are described.
URL: http://www.krugosvet.ru/articles/111/1011104/1011104a1.htm

5.THE FIFTH GROUP OF PERIODIC SYSTEM. Here a plenty of the information on nitrogen and ammonia, chemical and physical properties and ways of reception contains.
URL: http://lib.rin.ru/doc/i/45482p1.html

6.Packed column devices. On a site it is possible to find the brief characteristic, the sizes and appearance of packed column devices.
URL: http://pavlkhimmash.narod.ru/kolon.htm

7. Manufacture of synthetic ammonia at average pressure. Calculation of a column of synthesis. Here are the huge information on ammonia, such as its economic value, the brief historical information on development of synthetic ammonia production, physical and chemical bases of process of synthetic ammonia production, optimum conditions of synthesis of ammonia, service of installations of synthesis and many other things.
URL: http://www.bolshe.ru/unit/31/books/5052/s/1

The mathematical methods used in work.

1.Methods of optimization. This manual of Novosibirsk state university. On a site it is offered to familiarize with its contents, or download the full text of the book.
URL: http://www.math.nsc.ru/LBRT/k5/opt.html

2.The equations in final differences (Kondratjev V.A., 2000), MATHEMATICS. Article is devoted to the theory linear difference equations of the second order. Problems asymptotic behaviour of decisions and its variability are considered. All proofs elementary.
URL: http://www.pereplet.ru/obrazovanie/stsoros/1103.html

3.EXTREME PROBLEMS IN THE MODERN SCIENCE AND APPENDICES (GABASOV R.F., 1997), MATHEMATICS. Brief sketch of a history of occurrence and development of the theory of extreme problems from antique times up to now. Examples of extreme problems which characterize stages of development of the theory are resulted. Rapid development of the theory of extreme problems at the present stage is determined by practical needs for various spheres of human activity.
URL: http://www.pereplet.ru/obrazovanie/stsoros/352.html

4.Theoretical optimization. In a material theoretical optimization at which stage the theoretical optimum mode which further is objective criterion of an estimation of a choice of a design of a reactor and all technological circuit is determined is described. As an example dependences of a degree of transformation on temperature are considered at various times of contact for unique exothermal reaction - irreversible and convertible.
URL: http://www.opu.odessa.ua/konsp/MMXTP/RAZDEL3/glava4.htm

5.Numerical integration. On a site the information on numerical differentiation of various integrals contains: unitary (with the control and over the control of accuracy), repeated, integrals of a special kind and others.
URL: http://www.srcc.msu.su/num_anal/lib_na/cat/cat7.htm

6.Numerical integration. Here in an interactive mode the integral of function is calculated. And there is an opportunity to change border of integration, function, a method of integration, to overlook the schedule.
URL: http://www.informika.ru/text/inftech/edu/edujava/mathematics/Integral/Integral.html

7.Gradient methods. Here the class so-called gradient methods of the approached decision of problems of optimization is studied. Theorems of convergence are proved, the elementary updatings are described.
URL: http://www.ict.nsc.ru/rus/textbooks/akhmerov/mo/3.html

8. A.G.Trifonov. "Statement of a problem of optimization and numerical methods of its decision". Here the description of various methods of the decision is resulted problems of optimization, taking into account that fact, that the method should result in end results with the least expenses for calculations or to enable to receive the greatest volume of the information on the required decision. The scope of methods optimization is here also indicated.
URL: http://matlab.exponenta.ru/optimiz/book_2/1.php

English-speaking sites.

1.Ammonia. The story behind the gas. This web site aims to provide a full and comprehensive insight into ammonia production and its history.
URL: http://www.chm.bris.ac.uk/webprojects2001/prime/

2.Ammonia production. Here we can find an information about procedure how to make ammonia at home.
URL: http://scienceathome.cienciaviva.pt/amoniaco_eng.html

3.Ammonia: The Next Step. This site is consecrated to ammonia production. There is an information about ammonia synthesis, overall layout of a steam reforming plant for ammonia synthesis.
URL: http://www.cheresources.com/ammonia.shtml

4.Production Of Ammonia. This is a title of a book about ammonia. On the site there is a table of contents. Also user can download the complete document.
URL: http://www.efma.org/Publications/BAT%2095/Bat01/index.asp

5.Ammonia Information. This site contains such infosmation about ammonia as appearance, physical properties of NH3, history, natural abundance, industrial production, industrial uses, gas density of NH3 and gas solubility of NH3.
URL: http://mattson.creighton.edu/NH3/NH3_Info.html

6.Figures from Chemical Reactor Analysis and Design Fundamentals. This site is consecrated to chemical reactor. Here are lots of figures on such subject: the stoichiometry of reactions, review of chemical equilibrium, the material balance for chemical reactors, chemical kinetics, the energy balance for chemical reactors, fixed-bed catalytic reactors, mixing in chemical reactors, parameter estimation for reactor models.
URL: http://jbrwww.che.wisc.edu/~jbraw/chemreacfun/figures.html

7.The Chemical Industry. On this site we can find description of the UK chemical industry with their problems, conditions for process, safety and so on.
URL: http://www.elecuter.co.uk/Scinet/chemistry/vci/

8.Nitrogen fertilizers. The synthetic ammonia industry of China.
URL: http://www.chinaecec.com/eN/fields-1.htm

9.U.S. Nitrogen Industry Under Severe Pressure. This is article by Harry Baumes about U.S. production of anhydrous ammonia, the feedstock for downstream production of nitrogenous materials.
URL: http://www.globalinsight.com/Perspective/PerspectiveDetail1609.htm

10.Ammonia. Site about production of ammonia with lots fogures and descriptions.
URL: http://www.uyseg.org/greener_industry/pages/ammonia/1AmmoniaAPQ.htm

11.Uses and Production of Ammonia. Here user can find such information as Haber Process for the Production of Ammonia, uses of ammonia, a brief history.
URL: http://www.ausetute.com.au/haberpro.html

12.Maximizing Thermal Power Output of an Ammonia Synthesis Reactor for a Solar Thermochemical Energy Storage System. This is an article written by H. Kreetz, K. Lovegrove, and A. Luzzi, Centre for Sustainable Energy Systems, Department of Engineering, Australian National University, Canberra ACT 0200, Australia.
URL: http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JSEEDO000123000002000075000001&idtype=cvips&gifs=yes

13.SYNTHESIS GAS REFORMERS. This a big article by Megan Strait, Glenda Allum, Nisha Gidwani about production of ammonia.
URL: http://www.owlnet.rice.edu/~ceng403/nh3ref97.html

14.SIMULATION OF THE AXIAL BEDS AMMONIA SYNTHESIS CONVERTER. This demo-educational software of ammonia converter simulation with axial gas flows is academic version of applied software (Ver.0.02) for TEC, CHEMICO and AM-76 ammonia unit. Using applied software of ammonia converter simulation it is possible to solving some problems of ammonia converter controls.
URL: http://ced01.pstu.ac.ru/en/dept/tnv/pers/sdv/nh3eng.htm

The software.

1.Software. On a site it is possible to find the brief description and download demoversions of software products: AUFA-M – the Analysis of the unit of synthesis methanol; FBREAC – Calculation of a reactor with a boiling layer; AUFA – the Analysis of system gas-preparation in manufacture of ammonia.
URL: http://www.nifhi.ru/~kinetics/softwar8.htm

2.Chemical programs. On a site a plenty of programs is resulted in the field of chemical technology. The brief description of each program is resulted, and also it is offered to visit its site or download.
URL: http://www.recipe.ru/soft/41/

3.SATCDSaC: System of the Automated Technological Calculations of Devices of Streams and Circuits. On a site the description and characteristic SATCDSaC which is intended for calculation of material and thermal balances of complex chemical-engineering circuits, properties of individual substances and their mixes, characteristics of reactions and properties of separate devices, and also for processing experimental data on kinetics of chemical transformation and the data of interphase balance is resulted.
URL: http://www.ixt.lg.ua/nio-9/satrapis.htm

Various material on a theme.

1. INTRODUCTION IN CHEMISTRY OF CATALYTIC REACTIONS (SHWETS V.F., 1996), CHEMISTRY. The role of catalytic reactions in development of chemistry and chemical technology is discussed. As introduction in chemistry catalytic reactions the detailed mechanism homogeneous catalysis is considered.
URL: http://www.pereplet.ru/obrazovanie/stsoros/113.html

2. PROBLEMS OF OPTIMUM CONTROL (KOLMANOVSKI V.B., 1997), MATHEMATICS. The theory of optimum control is a part of the modern theory of extreme problems. In article statement of several problems of optimum control is resulted and some methods of their decision are discussed.
URL: http://www.pereplet.ru/obrazovanie/stsoros/353.html

3.COMPUTER MODELLING IN CHEMISTRY (NEMYKHIN A.В., 1998), CHEMISTRY. Some scopes of computer modelling in chemistry, in particular, in quantum chemistry, molecular mechanics, molecular dynamics, chemical kinetics are discussed. The allocated areas are united with the concept of surfaces of potential energy which knowledge is necessary for carrying out of computer calculations. The basic attention is given to the models underlying computer algorithms.
URL: http://www.pereplet.ru/obrazovanie/stsoros/567.html

4.Mathematical models and return problems (VATYLIAN A.O., 1998), MATHEMATICS. Questions of modern mathematical modelling of various processes (a computer tomography, ultrasonic defectoscopy, etc.) are discussed from the point of view of the theory of return problems. Examples of return problems are resulted, their basic features and prospects of use in modelling are discussed.
URL: http://www.pereplet.ru/obrazovanie/stsoros/673.html

5. Modelling and optimization of chemical-engineering processes and systems. Here are brief descriptions and circuits of such works of student Sisiykin V.S. computer engineering 96-b, as "the Engineering analysis and optimization of a cycle of synthesis of ammonia", "Steam balance of installation of synthesis of ammonia (modelling CES)", and also teaching and demonstration versions of some programs.
URL: http://www.uran.donetsk.ua/~masters/2001/fvti/sisyukin/lib/2.htm

6.Founders of industrial system engineering. Here the brief history of branch of the Moscow SPECIAL DESIGN BUREAU - 245 in Severodonetsk the leading organization on computer facilities is resulted. The basic object of automation - a huge chemical complex - Lisichansk chemical industrial complex. On Lisichansk chemical industrial complex production of ammonia and nitric acid were base. On a site the various complexes of means developed for chemical combine for the period from the basis up to now are described.
URL: http://www.icfcst.kiev.ua/museum/Impulse_r.html

7. INDUSTRIAL CATALYSIS AND ECOLOGICALLY SAFE TECHNOLOGIES (TEMIN O.N., 1996), CHEMISTRY. The role of catalytic chemistry is shown in creation of industrial ecologically safe technologies and protection of an environment. The basic achievements catalytic chemistry in petrochemical processes, the basic organic synthesis, processes of reception of polymers and biologically active substances in inorganic technology are considered.
URL: http://www.pereplet.ru/obrazovanie/stsoros/181.html

8.8. THE ROLE OF THE THEORY OF THE DIFFERENTIAL EQUATIONS IN MODERN MATHEMATICS AND ITS APPENDICES (OLEINIK O.A., 1996), MATHEMATICS. In article prominent features of the theory of the differential equations are stated. This theory has arisen from appendices and now by the closest image is connected to appendices. It renders the big influence on development of other areas of mathematics.
URL: http://www.pereplet.ru/obrazovanie/stsoros/87.html

9.PERFECTION OF CHEMICAL MANUFACTURES (SHVETS V.F., 1997), CHEMISTRY. Reduction in material and power expenses and quantities of not utilized waste products - one of the major directions of perfection of chemical manufactures. On concrete examples it is shown, as opening reactions and catalytic systems, and also an establishment of the detailed mechanism of chemical reactions promote the decision of these problems.
URL: http://www.pereplet.ru/obrazovanie/stsoros/342.html

10.CHEMISTRY OF MOLECULAR NITROGEN (TEMKIN O.N., 1997), CHEMISTRY. Features of a structure, physical and chemical properties and successes of chemistry of molecular nitrogen are considered. Mechanisms of restoration N2 in aprotic and protic environments with participation of complexes of transitive metals, the mechanism of synthesis of ammonia on heterogeneous catalysts and structure of enzyme nitrogenaze are discussed.
URL: http://www.pereplet.ru/obrazovanie/stsoros/418.html

11.The MARKET of INORGANIC CHEMICALS. Ammonia. The situation in the Ukrainian market of chemical production for March 2002г is resulted.
URL: http://www.business.dp.ua/ruschem/03obzor02.htm

12.Modernisation of working manufactures. In article it is argued, that for modernisation of working manufactures technical and organizational plans should be realized. Evidently it is visible by the example of complex high technology and power-consuming industries what manufacture of ammonia is.
URL: http://www.ruschemunion.ru/speek/15/5.htm

13.FRITS HABER. He is the German physicist awarded in 1918 Nobel Prizes in chemistry for synthesis with ammonia. On a site user can find his brief biography.
URL: http://www.krugosvet.ru/articles/11/1001117/1001117a1.htm