Construction and investigation of the computer model of distribution of the composition of products from equilibrium condensation telomomerization
Journal Title: Восточно-Европейский журнал передовых технологий - Year 2019, Vol 2, Issue 6
Abstract
<p>Based on the mechanism of the course of polycondensation, we have built a scheme of reaction for the equilibrium condensation telomerization as a polycondensation process whose chain is disrupted by a monofunctional telogen chain. Given this scheme, we constructed the material balance equations for structural elements, which include an infinite number of terms. If a Flory principle about equal reactivity of terminal groups is fulfilled, the infinite sums represent geometric progressions with the same denominator. This makes it possible to collapse the process model into a closed system of four non-linear algebraic equations.</p><p>Our research into properties of the model that involved mathematical analysis and computer experiments has established the following:</p><p>– the distribution of telomerization products is a superposition of geometric distributions of base structural components with the same denominator of progression, but different magnitudes of starting concentrations. A Flory distribution for homopolycondensation can be considered as a special case of this distribution;</p><p>– the system of model’s equations can have up to 4 real roots. At a single solution to the system with a random selection of initial approximation, ~74 % of cases yield a false positive root. To verify the validity of the root, we have developed a criterion based on the magnitude of denominator in a converging geometric progression, and proposed a procedure of computer solution to the system, making it possible to find the true root;</p><p>– the model has been found to demonstrate regularities in the influence of reactants concentration on the composition of an equilibrium mixture at a constant concentration of the low-molecular by-side product of condensation. It is shown that when this concentration tends to zero the composition ceases to depend on the values for equilibrium constants.</p>The constructed model makes it possible to calculate a composition of the equilibrium mixture of oligomers depending on the ratio of monomer concentrations, telogen, and a low-molecular condensation product. That makes it useful in practice for preliminary quantifying the composition of equilibrium mixtures of oligomers when planning syntheses using a method of condensation telomerization
Authors and Affiliations
Serhei Kondratov, Yuliia Yevtushenko, Julia Kravchenko
Keywords
Related Articles
- EP ID EP666315
- DOI 10.15587/1729-4061.2019.161858
- Views 60
- Downloads 0
Plasmochemical preparation of silver nanoparticles: thermodynamics and kinetics analysis of the process
<p>The thermodynamics and kinetics analysis of the plasmochemical formation of silver nanoparticles is performed. The thermodynamics analysis is made on the basis of calculation of the Gibbs free energy of formation of s...
Development of geomodel for concentration determination of hazardous chemicals in the atmosphere
A critical analysis of the approaches to the development of a model for determining the concentration of hazardous chemicals (HC) in the atmosphere, which are the basis of computeraided environmental monitoring systems...
Development of measures to improve milk quality and safety during production
<p>The number of somatic cells in cow milk affects its quality indicators, grade and safety. The level of somatic cells in milk depends on the state of the udder in animals. That is why it is important to diagnose sub-cl...
Studying the stressed state of elastic medium using the argument functions of a complex variable
<p>Based on the argument function method and the complex variable function method, we have derived the generalizing solutions to a flat problem on the theory of elasticity using the invariant differential ratios capable...
Improvement of the design of hydraulic transport devices for the transport of hydroabrasive media in the enrichment industry
<p>Hydrotransport equipment of mining and processing plants has low operational reliability, insufficient service life due to intense hydroabrasive wear of the working surfaces of pipelines and pumping equipment, design...