Nazarova, Galina Yurievna

Protsenko, Ch. S.

Shafran, T. A.

Stebeneva, V. I.

Electronic archive of Tomsk Polytechnic University

XVIII Международная научно-практическая конференция имени профессора Л.П. Кулёва442SiC-based ceramics composition and a method for production thereof.This research was carried out under financial support from the Ministry of Education and Science of the Russian Federation within the framework of State order, contract № 10.6309.2017/BCh.references1.	 Makarov	N.A.,	Zhukov	D.Yu.,	Vartanyan	M.A.,	Lemeshev	D.O.,	Nazarov	E.E.	(Russian)	//	Stek-lo	i	Keramika,	2016.–	№12.–	P.18–22.2.	 Ordan’yan	 S.S.,	 Nesmelov	 D.D.,	 Danilovich	D.P.,	Udalov	Yu.P.	 (Russian)	 //	 Izvestiya	VUZ.	Poroshkovaya	 metallurgiya	 i	 funktsional’nye	pokrytiya,	2016.–	№4.–	P.41–50.3.	 G.W.	Liu,	M.L.	Muolo,	F.	Valenza,	A.	Passerone	//	Ceramics	International,	2010.–	Vol.36.–	Issue	4.–	P.1177–1188.4.	 O.	Mailliart,	F.	Hodaj,	V.	Chaumat,	N.	Eustatho-poulos	//	Materials	Science	and	Engineering	A.,	2008.–	Vol.495.–	Issues	1–2.–	P.174–180.5.	 Rodimov	 O.I.,	 Makarov	 N.A.	 (Russian)	 //	 Ad-vances	in	Chemistry	and	Chemical	Technology,	2016.–	Vol.30.–	№7(176).–	P.96–97.DeVelOpMeNt Of MatheMatICal MODel Of CatalYtIC CraCKINg taKINg INtO aCCOuNt the IrreVerSIBIlItY CrIterION Of reaCtIONSG.Y. Nazarova, T.A. Shafran, V.I. Stebeneva, Ch.S. ProtsenkoScientific superviser – Prof. Dr.-Ing.Е.N. IvashkinaNational Research Tomsk Polytechnic University 634050, Russia, Tomsk, Lenin Avenue 30, silko@tpu.ruCurrently, the development of secondary refin-ing processes for increasing the refining depth and production of high-octane motor fuels is typical for oil refining industry. Computer modeling of chem-ical-engineering processes is one of the effective methods for studying of the complex systems. Im-proving the efficiency of the oil refining units and the optimization of technological modes is possi-ble to be carried out using mathematical modeling method.The majority of mathematical models of oil re-fining and petrochemistry processes are built on the basis of equations describing the kinetics of chemi-cal conversions in reactor. However, the specificity of hydrocarbons conversions of petroleum feed-stock in the forward and reverse directions is not fully taken into account many models. It reduces the accuracy of calculations and the efficiency of the mathematical model application.The aim of research is the development of the catalytic cracking mathematical model taking into account the reversibility of reaction in the height of riser.According to [1] the correct criterion of thermo-dynamic irreversibility of some stage in the chain of chemical transformations is the significant change in the chemical potential during the conversion of the reactants corresponding to this stage:Aij = –ΔrGij = μi – μj > RThere Aij – chemical attraction J/mol; ∆rGij – Gibbs energy change, J/mol; R – gas constant, J/(K • mol); Т – current temperature of process, K.This approach allows to take into account the direction reactions at current time depending on the current concentrations and technological mode. Figure 1 shows the chart for implementation of this approach at the mathematical modeling of the cata-lytic cracking.Thus, the values of the Gibbs energy change of the reactions calculated using quantum-chemistry methods were used for determination of thermody-namic reversibility of the catalytic cracking reac-tions at the initial time (an average initial tempera-ture of reaction is 848 K). According to [1] only the isomerization reactions of paraffins are reversible at the initial temperature of reaction. Furthermore, the chemical attraction is deter-mined depending on the current concentrations of reactants and current temperature in riser. If the condition is satisfied, the reaction is irreversible (the reaction rate constant of the reverse reaction is k–j = 0) and vice versa, if the reaction is reversible, the reaction rate constant is determined by the ex-pression k–j = kj/exp(Aij/RT).The calculation on the model shows that the isomerization of paraffins (Aij = –14.01 kJ/mol)  Секция 7.  Химия и химическая технология на иностранном языке443and cyclization of olefins with hydrogen transfer (Aij = 4.62 kJ/mol) are reversible at the process tem-perature 794 K during the processing of vacuum distillate with saturated to aromatic ratio 1.88 unit and reaction temperature range is 848–794 K. In ad-dition, the reversibility of cracking olefins take into account as the direct reaction of olefins aromatiza-tion in formalized scheme of hydrocarbon conver-sion due to the high reactivity of olefins according to the classical concepts of the catalytic cracking [2] and results of the quantum chemical calculation (ΔG = –92.2 kJ/mol).references1.	 Parmon	V.N.	Thermodynamics	of	nonequilibri-um	processes	for	chemists.	Dolgoprudny:	Intel-lect,	2015.–	472p.2.	 Kapustin	 V.M.,	Gureev	A.A.	 Technology	 of	 oil	refining.	Destructive	processes.	Part	two.–	M.:	Kolos,	2008.–	334p.COMparatIVe eValuatION Of DIffereNt raDICal INItIatOrS, uSeD fOr prODuCtION Of graft COpOlYMerS, BaSeD ON ataCtIC pOlYprOpYleNeM.S. Polonskiy, V.A. Zhelnorovich, R.A. KotomkinScientific Supervisor – Docent, Candidate of chemical Sciences O.V. RotarTomsk Polytechnic University 634050, Russia, Tomsk, Lenin str. 30, tpu@tpu.ruIntroduction. Nowadays the demand for pro-duction of polypropylene is extremely high in the world. Polypropylene takes the 3rd place by volume of consumption now, and this number has increased from 200 to 1200 thousand tons per year in Rus-sia in 2000–2015. It’s obvious that the need of this polymer will keep growing, therefore the technolo-gies of production should be developed and the vol-ume of it ought to be increased.relevance. Polypropylene is most commonly produced by propylene polymerization in presence of the Ziegler–Natta catalyst [1, 2], yet at the end of the chemical process 2–3 % of the final product is an atactic polypropylene (abbreviated APP). This material has much lower quality in comparison with the isotactic polypropylene; therefore it isn’t used in industry and is commonly utilized. A hypothesis was made [3] that a modification of APP with dif-ferent graft copolymers could improve its charac-teristics and makes it suitable for using in industry. This approach might also contribute to a solution of economic and ecological questions in the subject of fig. 1.		The	chart	for	implementation	of	this	approach	at	the	mathematical	modeling	of	the	catalytic	cracking

Development of mathematical model of catalytic cracking taking into account the irreversibility criterion of reactions

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