Objectives. To study the possibility of hydroxyacetone–phenol binary mixture (a constituent of a mixture of phenol production by the cumene method) separation in flowsheets based on the use of distillation special methods. This is the addition of separating agents to increase the relative volatility of the components of the original mixture, and the variation of pressure in the columns.

Methods. A computational simulation in Aspen Plus® was used as the research method. Mathematical modeling of the vapor–liquid equilibrium was carried out using a local compositions model Non-Random Two Liquid. The viability of the latter was confirmed by comparing experimental and calculated on phase equilibrium data, and azeotropic data. The average relative error does not exceed 3%.

Results. The dependence of the composition and boiling point of the hydroxyacetone–phenol azeotrope on pressure was determined in a computational experiment (as the pressure increases, the azeotrope is enriched with phenol). The possibility of using a complex of columns operating under different pressures to separate the mixture was shown (the shift of the azeotrope is about 9%). The change in the relative volatility of components of the original mixture in the presence of a high(diethylene glycol) and a low-boiling (acetone) separating agent was investigated. Both solvents are selective agents used in extractive and re-extractive distillation processes. Three technological separation flowsheets containing two distillation columns were proposed.

Conclusions. The study established the operation parameters of the columns (number of theoretical stages, feed stages of the original mixture and separating agent, and reflux ratio) and energy consumption (total heat supplied to the columns boiler) of three separation flowsheets ensuring the production of products of a given quality (not less than 0.99 mol fractions). The flowsheet with diethylene glycol is characterized by the lowest energy consumption. It is recommended that complexes of extractive and re-extractive distillation be further optimized. This enables the second product of cumulus production—acetone—to be involved in the technological cycle.

Objectives. Changes to the properties of water caused by factors such as pressure or temperature, can only be explained by its structural changes. Scientists study changes to the properties of water due to various physical stimuli only without the addition of any substances. Examples of stimuli are acoustic exposure, thermal exposure, pressure variation, shaking, intensive vibration treatment followed by dilutions, vortexing, bubble generation, inter alia.

The aim of the present review article is to summarize the available data on how the above processes affect the physicochemical and biological properties of water and aqueous solutions.

Results. It has been shown that heating makes water less compressible and decreases air solubility in water, while cooling enhances its viscosity. Acoustic exposure makes the structure of water become coarse-grained, followed by an increase the number of large clusters, pH and temperature inside a cavitation bubble. High pressure enhances the viscosity, self-diffusion, and compressibility of water. For bubble processed water, there are changes in the spin-spin and spin-lattice relaxation times. Reactive oxygen species are formed, as well as increased solubility of gases in liquids and reduced friction. Vortex process technology causes an increase of electrical conductivity of water and reduced viscosity. Intensive vibration treatment and dilution processes result in changes in electrical conductivity of water, dissolved gas concentration, ultrasonic wave velocity, рН, surface tension, dielectric constant, and spectral response. There is also data to support the biological effects of different types of physical treatment of solutions.

Conclusions. This review shows that physical treatment of water can induce changes both in physicochemical and biological properties of water and aqueous solutions.

Objectives. To determine the physical and chemical properties (bulk density, ash content, total pore volume, abrasion, humidity, sorption capacity) of sorbent based on ash-and-slag waste from heat power engineering, calcined and modified with a Tiprom K organosilicon water repellent.

Methods. The physicochemical properties of the modified sorbent were determined using an experimental method according to the methods of regulatory documents on equipment verified and certified in the prescribed manner.

Results. Ash and slag taken from the ash dump of the Novocherkasskaya GRES power station were dried, then calcined at a temperature of 600 °C for 30 min and modified with a Silor hydrophobizing silicon-containing liquid (HSL). The modifier/ash ratios (by weight) were 1:20, 1:10, 1:5, 1:3, and 1:2. The optimal ratio was 1:5 at a sorption capacity with respect to hexane of 0.86 g/g. The modification temperature was optimized in the temperature range of 110–200 °C. The optimal approach it to dry samples at 160 °C to constant weight. At a temperature of 200 °C, sintering of the material was observed. The analysis of HSL modifiers was carried out in terms of the price/sorption properties ratio. The following were considered as HSL: Silor, HSL-11BSP, HSL 136-157M, PROFILUX, Tiprom K, Tiprom U. The optimal modifier Tiprom K was selected. The physicochemical properties of the modified sorbent obtained at a ratio of 1:5 (by weight) and dried at 160 °C were experimentally determined. The sorption properties were studied on the water surface with respect to various oil products: fuel oil, kerosene, AI-92 gasoline, nefras, oil sludge, and n-hexane. The smallest sorption capacity was obtained with respect to n-hexane, amounting to 0.86 g/g. During the experiment, it was found that half of the sorption capacity was filled with oil in the first minutes of contact. Complete sorption time was 30–40 min for relatively light hydrocarbons (n-hexane, AI-92 gasoline, kerosene, nefras), 40–60 min for oil sludge, and more than 60 min for fuel oil. Experiments established that the sorption process does not depend on the matrix (salinity) of water. A visual assessment of the color intensity of the residual spot of oil sludge allowed a conclusion to be made about a significant content of oil products in the case of sorption of oil sludge by quartz sand based on the residual yellow layer of oil sludge. In the case of sorption of oil sludge by calcined and modified sorbents, the residual oil products were insignificant. A comparative analysis of data on the effectiveness of the developed sorbent and currently available analogues based on sludge and slag is presented.

Conclusions. The next physicochemical properties of the sorbent modified with HSL Tiprom K were determined: bulk density was 0.621 g/mL, ash content was 97.1%, total pore volume by water was less than 0.05 mL/g, attrition was 8.8%, humidity was less than 0.5%; sorption capacity, in g/g: for n-hexane, 0.86; for AI-92 gasoline, 0.89; for nefras, 0.93; for kerosene, 0.99; for oil sludge, 1.18; for fuel oil, 1.46. The efficiency of cleaning a solid surface from oil sludge with a calcined sorbent was 97%, and with a modified sorbent 95%. The modified sorbent has high buoyancy when saturated with oil products and the ability to retain them for a long time.

Objectives. To investigate the possibility of preventing hydrogen absorption into the functional structural materials of hydrogen-generating membrane electrode assemblies based on porous nickel, carbon black, and reduced graphene oxide with platinum–nickel and palladium–nickel nanoparticles.

Methods. The hydrogen absorption into materials of membrane electrode assemblies of alkaline electrolyzers was evaluated using an electrolyzer with variable temperature, reagent feed rate, and gas content.

Results. The study established the need to use reduced graphene oxide, in order to reduce hydrogen absorption and degradation of hydrogen-generating membrane electrode assemblies.

Conclusions. The service life test results and performance of the designed variants of prototypes of membrane electrode assemblies with nanostructured electrodes based on reduced graphene oxide, preventing hydrogen absorption into functional materials and their degradation, demonstrated the creation of hydrogen generators with high energy efficiency shows potential.

Objectives. To establish expected emergent (unexpected) properties of magnetic materials when obtained in aqueous micellar solutions of surfactants (aqueous quantum materials), and their use in fine technologies.

Methods. Chemical synthesis of magnetic nanoparticles in aqueous micellar solutions of surfactants of various nature. Characterization of magnetic solutions and nanoparticles by magnetic measurements, spectroscopy, diffractometry, small-angle X-ray diffraction, scanning probe microscopy, and others.

Results. The term “water quantum material” refers to materials (micellar solutions) whose properties are mainly determined by the nuclear quantum effect on macroscopic scales (emergent property). Micellar solutions exhibit phenomena and functionality not always consistent with the classical theory of micellization. The article presents in detail the experimental results that suggest the manifestation of the emergent properties of magnetic materials obtained in aqueous micellar solutions of surfactants. In particular, Gd³⁺ ions in an aqueous micellar solution of sodium dodecyl sulfate exhibit paramagnetic properties, possibly indicating their random arrangement in solution contrary to the classical theory of micellization with an ordered adsorption layer on micelles. Hybrid Pt–Gd nanoparticles are formed in a quantum material with cetylpyridinium chloride as a matrix, although Gd³⁺ ions must be repelled by CP⁺ ions on micelles. Nanosized powders of cobalt ferrite and nickel ferrite obtained in a micellar solution of sodium dodecyl sulfate have superparamagnetic properties, although the presence of their precursor ions in the adsorption layer in classical micelles should lead to ferromagnetic properties.

Conclusions. The synthesis of nanoparticles in a quantum material opens up the possibility of reducing ions of different signs in one stage during the processing of metallurgy waste, in order to obtain nanoparticles of various metals and their composites. Magnetic nanoparticles obtained in a quantum surfactant material self-assemble on various substrates, enabling the creation of materials whose residual magnetization and coercive field can be controlled at room temperatures.

Objectives. To identify the principles of creating digital twins of an operating technological unit along the example of the process of liquid-phase alkylation of benzene with propylene, and to establish the sequence of stages of formation of a digital twin, which can be applied to optimize oil and gas chemical production.

Methods. The chemical and technological system consisting of reactor, mixer, heat exchangers, separator, rectification columns, and pump is considered as a complex high-level system. Data was acquired in order to describe the functioning of the isopropylbenzene production unit. The main parameters of the process were calculated by simulation modeling using UniSim® Design software. A neural network model was developed and trained. The influence of various factors of the reaction process of alkylation, separation of reaction products, and evaluation of economic factors providing market interest of the industrial process was also considered. The adequacy of calculations was determined by statistics methods. A microcontroller prototype of the process was created.

Results. A predictive neural network model and its creation algorithm for the process of benzene alkylation was developed. This model can be loaded into a microcontroller to allow for real-time determination of the economic efficiency of plant operation and automated optimization depending on the following factors: composition of incoming raw materials; the technological mode of the plant; the temperature mode of the process; and the pressure in the reactor.

Conclusions. The model of a complex chemicotechnological system of cumene production, created and calibrated on the basis of long-term industrial data and the results of calculations of the output parameters, enables the parameters of the technological process of alkylation to be calculated (yield of reaction products, energy costs, conditional profit at the output of finished products). During the development of a hardware-software prototype, adapted to the operation of the real plant, the principles and stages of creating a digital twin of the operating systems of chemical technology industries were identified and formulated.