Mathematical modeling of butadiene rubber synthesis process on neodymium-containing catalyst system

Aminova, G. A.; Manuiko, G. V.; Bronskaya, V. V.; Игнашина, Т. В.; Исмагилова, А. И.; D’yakonov, G. S.

doi:10.1134/s0965545x06080153

Cited by 24 publications

(10 citation statements)

References 2 publications

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“…For polycentric models of propylene polymerization kinetics at TMC, not so many sets of activation energies for the Arrhenius dependences of kinetic coefficients have been published. In [ 17 , 18 , 19 , 20 , 21 ], the kinetic constants of a propylene polymerization in a liquid monomer were quantified using the TiCl 4 /EB/MgCl 2 + DEAC + TEA/PEEB catalyst (EB is ethyl benzoate, PEEB is para-ethoxy-ethyl benzoate, DEAC-diethyl-aluminum chloride; titanium content ~ 3% by weight; and 60 ≤ T ≤ 70 °C). The authors focused the dependence of the polypropylene yield on the temperature in the growth constant and obtained the values for the single-center model: kp = exp [A-E A /T], A = 2.860, and E A = 1977.…”

Section: Computing the Temperature Dependence Of Kinetic Parameters: ...mentioning

confidence: 99%

Temperature Dependence of the Kinetic Parameters of the Titanium–Magnesium Catalyzed Propylene Polymerization

et al. 2022

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This paper provides a study of the liquid-phase polypropylene polymerization on a heterogeneous titanium–magnesium Ziegler–Natta-type catalyst. A kinetic model was developed that included the activation of potential active centers, chain growth, transferring the chains to hydrogen and monomer, and the deactivation of active centers. The model was created to predict the polymerization rate, polymer yield, and average molecular weights of polymer chains where the polymerization temperature changes from 40 to 90 °C. In developing polycentric kinetic models, there is a difficulty associated with evaluating the kinetic constants of the rates of elementary reactions/stages in polymerization. Each heterogeneous titanium–magnesium catalyst (TMC), including a co-catalyst, as well as an internal and an external electron donor, has its own set of kinetic parameters. Therefore, its kinetic parameters must be defined for each new catalyst. The presented algorithm for identifying the kinetic constants of rates starts with a kinetic model that considers one type of active centers. At the second stage, a deconvolutional analysis is used for the molecular weight distribution (MWD) of the gel permeation chromatography (GPC) data of the polypropylene samples and the most probable distribution of Flory chain lengths is found for each type of active centers. At the third stage, the single-center model is transformed into a polycentric kinetic model. For the catalyst system, five types of active centers were identified, together with a mass fraction and a number-average molecular weight for each active center type of the catalyst, which is consistent with the published results for similar Ti-based Ziegler–Natta catalysts.

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Section: Computing the Temperature Dependence Of Kinetic Parameters: ...mentioning

confidence: 99%

Temperature Dependence of the Kinetic Parameters of the Titanium–Magnesium Catalyzed Propylene Polymerization

et al. 2022

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“…Currently, the most common and most effective rubber that gives polystyrene the necessary flexibility and toughness, especially at low temperatures, is polybutadiene that is obtained in the presence of a modified organolithium initiating system. The polymerization mechanism using an organolithium catalytic system modified with polyfunctional sodium and magnesium alcoholates differs from the classical one [1][2][3][4][5][6][7][8]. This is caused by the formation of at least two types of active centres and the exchange reactions occurring between them.…”

Section: Introductionmentioning

confidence: 99%

Calculation of the main characteristics of polymer branching taking into account the exchange of activity between polymerization centres

Bronskaya

Игнашина

Aminova

et al. 2022

IOP Conf. Ser.: Earth Environ. Sci.

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The calculation of the main characteristics of the branching of the polymer is presented in the article using the example of polymerization of butadiene in the presence of an organolithium catalytic system modified with polyfunctional sodium and magnesium alcoholates. The addition of a modifier to the catalytic system leads to the participation in the polymerization of at least two types of active centers, which is the reason for some branching of macromolecules. The complemented mathematical model of the periodic process, taking into account the exchange of activity between the two centers, allows to calculate the main characteristics of branching.

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“…To date, a program for the efficient use of energy has been developed, which is quite extensive and covers many areas. At the same time, it is necessary to develop more specific directions, define stages and evaluate the effectiveness of investment [10][11][12][13][14][15].…”

Section: Introductionmentioning

confidence: 99%

Efficient use of secondary energy resources at an organic synthesis enterprise by the method of energy-technological combination

Bronskaya

Balzamov

Balzamova

et al. 2022

IOP Conf. Ser.: Earth Environ. Sci.

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Organic synthesis enterprises are characterized by multi-stage technological processes and large volumes of production of various products, the production of which is associated with a huge consumption of energy resources. First of all, the technological processes of such enterprises are associated with the conversion and consumption of water vapor and electric energy, which are transformed from external sources. Currently, there is a tendency in the energy industry to replace outdated capacities with new ones by the installation of efficient combined cycle power units, the construction of which is costly both financially and resource-wise, requiring the involvement of highly qualified personnel. All this leads to an increase in energy tariffs, which affects the financial performance of large consumers, including organic synthesis enterprises, whose technological processes are associated with the formation of secondary energy resources in the form of water steam, flue gases, combustion gases, hot water. This article offers a variant of the useful use of water steam for technological processes and the generation of electrical energy for the own needs of the enterprise.

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Mathematical modeling of butadiene rubber synthesis process on neodymium-containing catalyst system

Cited by 24 publications

References 2 publications

Temperature Dependence of the Kinetic Parameters of the Titanium–Magnesium Catalyzed Propylene Polymerization

Temperature Dependence of the Kinetic Parameters of the Titanium–Magnesium Catalyzed Propylene Polymerization

Calculation of the main characteristics of polymer branching taking into account the exchange of activity between polymerization centres

Efficient use of secondary energy resources at an organic synthesis enterprise by the method of energy-technological combination

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