=Paper= {{Paper |id=Vol-3171/paper88 |storemode=property |title=Modeling of Epoxidation Process by the Means of Artificial Neural Network |pdfUrl=https://ceur-ws.org/Vol-3171/paper88.pdf |volume=Vol-3171 |authors=Taras Chaikivskyi,Bohdan Sus,Sergiy Zagorodnyuk,Oleksandr Bauzha |dblpUrl=https://dblp.org/rec/conf/colins/ChaikivskyiSZB22 }} ==Modeling of Epoxidation Process by the Means of Artificial Neural Network== https://ceur-ws.org/Vol-3171/paper88.pdf
Modeling of Epoxidation Process by the Means of Artificial
Neural Network
Taras Chaikivskyi1, Bohdan Sus2, Sergiy Zagorodnyuk2 and Oleksandr Bauzha,2
1
    Lviv Polytechnic National University, Bandera Str, 12, Lviv, 79013, Ukraine
2
    Taras Shevchenko National University of Kyiv, Kyiv 01033, Ukraine


                 Abstract
                 An artificial neural network based on experimental data from the process of epoxidation of
                 soybean oil with epoxidizing system: hydrogen peroxide / acetic anhydride / catalyst was
                 created. This allows you to select the optimal parameters, control the epoxidation process at
                 the stage of synthesis and improve the technology of epoxidized products. A method for
                 calculating the results of epoxidation of mixtures of unsaturated compounds has been
                 developed. It allows to control the epoxidation process at the stage of synthesis and to improve
                 the technology of obtaining epoxidized products. The obtained optimal conditions of the
                 epoxidation process are adequate for other vegetable oils.

                 Keywords 1
                 Artificial neural networks, Model, Soybean Oil, Catalyst, Epoxidation

1. Introduction
    The current state of computer technology and the level of information technology involves solving
a range of practical issues, including the procedure of deep machine learning [1]. Computational
problems are successfully solved by the means of artificial neural networks belonging to different areas.
In particular, by applying a multilayer differential neural network to the analysis of
electroencephalograms of a person expressing a phrase, it was possible to build a human speech
synthesizer [2] which can predict and define those words and fixed phrases, which a person has
previously expressed, but during the operation of the synthesis can be not remembered. In medicine,
artificial neural networks are used to analyze X-rays, which can determine the service life and degree
of wear of artificial implants and prostheses installed in the patient's body [3]. In chemistry, artificial
neural networks are implemented to predict the result of a chemical reaction under different sets of
experiment conditions and the concentration of different catalysts [4, 5]. Artificial neural networks in
robotics are used to calculate the trajectories of automated mechanisms and manipulators [6] as well as
for the rational consumption of energy and resources. In natural sciences, which include mathematics,
physics, oscillations, and waves, the mathematical physics of artificial neural networks find the solution
of classical fundamental equations [7], which describe real multidimensional systems for which such
numerical solutions were not available [8].
    In physics, artificial neural networks are used for mathematical description of the phenomenon of
energy conversion in the form of electromagnetic radiation, taking into account the processes of
absorption, secondary radiation, and scattering [9], processing information from sensors for substance
identification [10]. Artificial neural networks are especially widely used in physical problems of
electromagnetic wave propagation [11] and ultrasound [12] in bulk solid media, ie in optics,
astrophysics, atmospheric science and remote sensory technologies.

COLINS-2022: 6th International Conference on Computational Linguistics and Intelligent Systems, May 12–13, 2022, Gliwice, Poland
EMAIL: taras.v.chaikivskyi@lpnu.ua (T. Chaikivskyi); bnsuse@gmail.com (B. Sus); szagorodniuk@gmail.com (S. Zagorodnyuk);
asb@univ.kiev.ua (O. Bauzha)
ORCID: 0000-0002-1166-8749 (T. Chaikivskyi); 0000-0002-2566-5530 (B. Sus); 0000-0003-3415-7746 (S. Zagorodnyuk);
0000-0002-4920-0631 (O. Bauzha)
              ©️ 2022 Copyright for this paper by its authors.
              Use permitted under Creative Commons License Attribution 4.0 International (CC BY 4.0).
              CEUR Workshop Proceedings (CEUR-WS.org)
    The main principle of green chemistry is the use of renewable, environmentally friendly raw
materials, which will further biodegrade and reduce the toxicity during the production of polymers. [13]
    Soybean oil polymerization is important to produce polymers for printing inks. Epoxidized oils are
widely used, especially to improve the performance of rubbers, as components for the production of
light-sensitive films, packaging materials for baby food, and in the production of medical materials
[14]. Studies on the synthesis of solid polymeric materials based on soybean oil with mechanical
properties. Such polymers can be used as structural materials. Epoxides are cyclic esters, metabolites
that are often formed by cytochromes that act on aromatic or double bonds. A specific site on a molecule
that experiences epoxidation is its site (SOE). Artificial intelligence technologies can significantly
improve the identification of SOE molecules and select the optimal pairs of parameters to control the
epoxidation process at the stage of product synthesis. Artificial neural networks, which are technical
software implementations of the biological neural structure of the human brain, allow such training.
Networks are also called connection systems because the principal part of artificial neural networks is
a structure of connections that allow one neuron to form a route of signal propagation to other neurons
and, conversely, to receive from them the same signals.
    The increase in the use of epoxidized oils is directly related to the growth of production of polyvinyl
chloride PVC and polymers based on it, as epoxidized oils are one of the best stabilizers-plasticizers of
such polymers. Epoxidized oils have several advantages over other types of stabilizers, so the
introduction of epoxidized stabilizers into the polymer significantly increases its thermal stability. It
also prevents the decomposition of the polymer under the action of ionizing radiation. Epoxidized oils
can perform the functions of hardener (in compositions with different oligomers) and stabilizer (in
compositions with PVC). The use of epoxidized oils in the paint industry is constantly increasing - they
are part of paint products based on epoxy, essential cellulose oligomers and PVC, as well as plasticizers
of organically dispersed coatings [15, 16].
    Organic peracids are used for liquid-phase epoxidation of unsaturated organic substances [17, 18].

2. Experimental
    Research [19] [suggested use of epoxidizing system hydrogen peroxide (H2O2)/ formic acid /
catalyst. In this system, the epoxidizing agent is also an organic peracid, which is formed in situ by the
interaction of hydrogen peroxide with organic acid in the presence of a catalyst (Figure 1). Organic acid
circulates in the system [20] replaced formic acid with acetic acid, which is more affordable and
cheaper.




Figure 1: Chemical scheme of liquid-phase epoxidation of vegetable oil by epoxidizing system:
hydrogen peroxide / organic acid / catalyst

  We have suggested using its anhydride instead of organic acid, which will reduce the amount of
water in the reaction mixture and accelerate the reaction of the formation of peracetic acid.
    Therefore, this work aims to improve the technology of epoxidized oils; specify optimal conditions
for economically feasible production of epoxidized oils, the quality of which meets the standards (Table
1); making changes in the technology of production of this product.

Table 1
Quality indicators of epoxidized oils
                                                                      Standard for brands (technical
                      Physico-chemical indicator                              conditions *)
                                                                         ST         SU         S
      Epoxy number,% (oxirane oxygen content), not less than            6.5        6.4        6.0
                Iodine number, g I2/100g, not more than                 1.5        2.0        8.0
   * As stabilizers and plasticizers for PVC-based polymers

   The practical value of the research is the use of a neural network process model that allows quality
control of epoxidized oil during the synthesis stage. epoxidation process on: initial concentration of
acetic anhydride, hydrogen peroxide, catalyst (ion exchange resin KU-2x8); process conditions for the
optimal concentration calculation of epoxy mixture reagents, process duration, and temperature.
   It has been experimentally established that the dependence of the epoxy number of epoxidized
soybean oil at different concentrations of acetic anhydride, hydrogen peroxide, the amount of catalyst,
and the duration of the process is complex. As the temperature and catalyst concentration increase, the
reaction rate increases, but at extremely high temperatures (> 348 K) and catalyst concentration (>15g
per 100 cm3) the achieved epoxy number may decrease due to secondary epoxy opening reactions.
   Therefore, to find the optimal conditions for the process, it is reasonable to develop a mathematical
model and calculate the optimal conditions for the process using special methods.
   To create a model, the following factors and limitations are accepted:
   • x1 - concentration of acetic anhydride, wt.% 2