=Paper= {{Paper |id=Vol-3312/paper8 |storemode=property |title=Optimizing the Process of Soybean Oil Epoxidation by the means of Artificial Intelligence |pdfUrl=https://ceur-ws.org/Vol-3312/paper8.pdf |volume=Vol-3312 |authors=Oleksandr Bauzha,Taras Chaikivskyi,Valentyna Maliarenko,Bohdan Sus,Sergiy Zagorodnyuk |dblpUrl=https://dblp.org/rec/conf/momlet/BauzhaCMSZ22 }} ==Optimizing the Process of Soybean Oil Epoxidation by the means of Artificial Intelligence== https://ceur-ws.org/Vol-3312/paper8.pdf
Optimizing the Process of Soybean Oil Epoxidation by the
means of Artificial Intelligence
Oleksandr Bauzha 1, Taras Chaikivskyi 2, Valentyna Maliarenko 1, Bohdan Sus 1, Sergiy
Zagorodnyuk 1
1
    Taras Shevchenko National University of Kyiv, Kyiv 01033, Ukraine
2
    Lviv Polytechnic National University, Bandera Str, 12, Lviv, 79013, Ukraine

                  Abstract
                  The study of the process of soybean oil epoxidation was conducted in solution of hydrogen
                  peroxide H2O2 and acetic anhydride (CH3CO)2O in the presence of the KU-2×8 catalyst. As a
                  result of the study, experimental data were obtained, which were used for training an artificial
                  neural network. With the help of a trained neural network, it was possible not only to control
                  the epoxidation process at the synthesis stage, but also select the most favorable parameters
                  and conditions of the experiment, and improve the technology for obtaining chemical
                  products.
                  A new mechanism for calculating the results of epoxidation of mixtures of unsaturated
                  compounds has been developed. It was demonstrated that by the means of this mechanism it
                  is possible to control the epoxidation process at the stage of synthesis of compounds and in
                  this way to improve the technology of obtaining final products of this reaction.

                  Keywords 1
                  Neural network, Epoxidation, Optimization, Soybean oil, Peroxide

1. Introduction
    The process of deep machine learning used to solve a system of practical problems. This approach
is characterized by a high level of information technology, which is determined by the development of
modern computer technology [1].
    An artificial neural network (ANN) has been used to solve practical problems in various fields,
particularly in medicine. The human speech synthesizer was created based on electroencephalograms
of patients, on which their utterances were recorded. The materials were analyzed by the multilayer
differential neural network method. With the help of a human speech synthesizer, it is possible to
predict and express words and fixed expressions that the patient used, but cannot remember during the
operation of the synthesizer [2]. An artificial neural network was used to analyze X-ray images, which
were used to determine the service life and degree of use of artificial implants and prostheses installed
in the patient's body. [3].
    In chemistry, an artificial neural network was used to predict the result of a chemical reaction
under different conditions and concentrations of catalysts [4,5].
    In robotics, ANN is used to calculate the trajectories of automated mechanisms and manipulators,
rational consumption of energy carriers and resources. [6].
    In the natural sciences, which include mathematics, physics, and mathematical physics, the use of
ANN allowed solving classical fundamental equations [7]. They describe real multidimensional
systems for which numerical solutions were previously unavailable [8].


MoMLeT+DS 2022: 4th International Workshop on Modern Machine Learning Technologies and Data Science, November, 25-26, 2022,
Leiden-Lviv, The Netherlands-Ukraine
EMAIL: asb@univ.kiev.ua (O. Bauzha); taras.v.chaikivskyi@lpnu.ua (T. Chaikivskyi); vmalyarenko12@gmail.com (V. Maliarenko);
bnsuse@gmail.com (B. Sus); szagorodniuk@gmail.com (S. Zagorodnyuk)
ORCID: 0000-0002-4920-0631 (O. Bauzha); 0000-0002-1166-8749 (T. Chaikivskyi); 0000-0003-4585-3114 (V. Maliarenko); 0000-0002-
2566-5530 (B. Sus); 0000-0003-3415-7746 (S. Zagorodnyuk)
             ©️ 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)
   In physics, with the help of neural networks, a mathematical description of the energy transfer
phenomenon in the form of electromagnetic radiation became possible. It includes several
simultaneous processes: absorption, secondary radiation and scattering [9], as well as the processing
of information received from sensors as a result of the identification of substances [10] to solve
physical problems of propagation of electromagnetic waves and ultrasound, Neural networks are also
used [11]. Neural networks are widely implemented in atmospheric science, remote sensing, and
optics[12].
   Research is being conducted on the synthesis of solid polymer materials based on soybean oil with
mechanical properties that can be used as construction materials.
   Green chemistry is entrenched the principle of sustainable development, based on the use of
renewable and environmentally friendly raw materials. It ensures biodegradation and reduction of
product toxicity during the production of polymers. [13]. Polymers for the production of printing inks
were created as a result of the polymerization of soybean oil. Epoxidized oils are used to improve the
properties of rubbers, which are a component for obtaining light-sensitive films, packaging materials
for baby food and the production of medical materials. [14]. Soybean oil is a raw material used in
research of the synthesis of solid polymer materials. They have mechanical properties that allow them
for structural materials.
   Epoxides are cyclic ethers, metabolites that are often formed by cytochromes as a result of the
action on aromatic or double bonds. The site on the molecule that undergoes epoxidation is its site of
epoxidation (SOE).
   Thanks to artificial neural networks, it is possible to improve the identification of the SOE of the
molecule and to choose the best parameters for controlling the epoxidation process at the stage of
product synthesis. ANN is a technical software implementation of the biological neural structure of
the human brain. The main part of ANN is a system of connections that allow one neuron to form a
signal propagation route to other neurons and receive signals in the reverse direction.
   The volume of use of epoxidized oils is increasing, which is connected with the intensive
production of polyvinyl chloride (PVC) and polymers based on it. Since epoxidized oils are one of the
best stabilizers-plasticizers of such polymers. They have advantages over stabilizers of other types.
The introduction of an epoxidized stabilizer into the polymer dramatically increases its thermal
stability, prevents the decomposition of the polymer under the action of ionizing radiation as well.
Their main functions are: hardeners in compositions with various oligomers and stabilizers in PVC
compositions. In the paint industry, epoxidized oils are part of paint products based on epoxy,
ethercellulosic oligomers, PVC, as well as plasticizers for organodisperse coatings. [15, 16].
   Organic peracids are introduced for liquid-phase epoxidation of unsaturated organic substances.
[17,18].

2. Experiment
    Based on research [19] was proposed to introduce the H2O2/formic acid/catalyst epoxidizing
system. Organic peracid, is formed during the interaction of H2O2 with an organic acid in the presence
of a catalyst, is an epoxidizing agent (Fig. 1). In this system, there was no stage of production and
release of peracid, while the organic acid remained circulating.
    Replacement of the formic acid with a more affordable option were considered. Among the acids,
they chose the cheaper one - acetic [20].
    It is suggested to use organic acid anhydride instead of organic acid in our research. As a result,
the amount of water in the reaction mixture was reduced, and the reaction of peracetic acid was
accelerated.
    The purpose of the work is to improve the technology of obtaining epoxidized oils. The selection
of optimal conditions for the economical production of epoxidized oils, the quality of which meets the
standards (Table 1), modification of the production technology of this product.
Figure 1: Scheme of epoxidation by H2O2/organic acid/catalyst system

Table 1
Quality indicators of epoxidized oils
                                                                     Norm for brands (technical
                  Physical-chemical indicator                              conditions*)
                                                                  ST          SU             C
   Epoxy number, % (oxyran oxygen content), not less than         6.5         6.4           6.0
           Iodine number, g I2/100 g, no more than                1.5         2.0           8.0
   *As stabilizers and plasticizers for PVC-based polymers

   Practical value Using a model of the process obtained with the help of a neural network allows
control of epoxidized oil during the synthesis stage.
   A study of the dependence of the reaction speed of the epoxidation process on:
   •    Initial concentration of acetic anhydride (AA)
   •    Initial concentration of hydrogen peroxide
   •    Initial concentration of ion exchange resin KU-2x8
   •    Temperature of the process
   to establish the optimal concentration of reactants of the epoxidizing mixture, duration of the
process, and temperature.

   It was experimentally established that at different concentrations of acetic anhydride, hydrogen
peroxide, the amount of catalyst, and the duration of the process, the dependence of the epoxide
number of epoxidized soybean oil has a complex essence. Increasing the temperature and
concentration of the catalyst contributes to the growth of the reaction rate. However, a temperature
more than 348K and a catalyst concentration above 15% may decrease the achieved epoxy number.
   It is necessary to optimize the conditions for carrying out the process. It is relevant to create a
mathematical model and calculate optimal conditions using special methods.
   To create the model, the following factors and their limitations were adopted:
   •     X1 – concentration of acetic anhydride, wt.% 2