Department of Chemical Thermodynamics and Kinetics
Thermodynamic and kinetic investigation of phase, membrane, reaction-mass transfer non-equilibrium processes and critical states
Group members
Team leader – Alexander Matveyevich Toikka, Doctor of Sciences (Chemistry), Professor
- Prikhodko Igor Vladimirovich, Ph.D., Associate Professor;
- Gromov Dmitriy Valerievich, Ph.D., Associate Professor;
- Pulyalina Alexandra Yurievna, Ph.D., Associate Professor;
- Pervukhin Oleg Konstantinovich, Ph.D., Associate Professor;
- Gorovits Boris Isaakovich Doctor of Sciences (Chemistry), Senior Researcher Scientist;
- Polotskaya Galina Andreevna, Ph.D., Senior Researcher Scientist;
- Volodina Natalia Yurievna, Ph.D. Student;
- Rostovtseva Valeria Alekseevna, Ph.D. Student;
- Smirnov Alexander Alexandrovich, Ph.D. Student;
- Lyubichev Dmitriy Alekseevich, Ph.D. Student;
- Misikov Deorgiy Hvichaevich, Master Student;
- Zolotovskiy Konstantin Alekseevich, Master Student.
Main research areas
General, non-equilibrium and chemical thermodynamics. Experimental studies of phase transitions, transmembrane processes, sorption, and thermal effects. Experimental investigation of critical phenomena in multicomponent systems with chemical interactions of substances. Thermodynamic and structural features of multicomponent critical phases in the course of equilibrium and nonequilibrium chemical reaction (critical surfaces and hypersurfaces). Kinetics of chemical reactions in the near-critical region of liquid-phase systems. Coupled reaction - mass transfer processes, kinetics of chemical processes in heterogeneous media. The evolution of thermodynamic properties in the course of coupled processes. Deep eutectic solvents and processes involving them. Thermodynamic properties of natural gas and gas mixtures, including for industrial applications. Development of new promising membrane polymer and composite materials (inclusion of modifiers into the polymer matrix), their structural (SEM, AFM, X-Ray) and thermochemical studies, thermodynamic properties.
The theory of thermodynamic stability, its development and application for the analysis and modeling of chemical and phase processes in equilibrium and non-equilibrium systems. Application of non-equilibrium thermodynamics methods to solve theoretical problems and tasks of chemical technology: stability of multicomponent systems, phase and membrane separation, reaction-mass transfer processes. Analysis of thermodynamic stability of multicomponent systems (spinodal curves, surfaces and hypersurfaces) and features of critical states using methods of non-equilibrium thermodynamics, quantum chemistry, classical and non-empirical molecular dynamics. Application of the artificial neural network method to the problems of thermodynamic analysis of multicomponent systems. Modeling of transmembrane processes based on non-equilibrium thermodynamics approach.
Additional (applied) activity profile: organization of phase and membrane separation processes, including combined processes (reaction distillation and extraction, synthesis in a membrane reactor, behavior of mixtures in the near-critical region). New practically important and promising membrane materials (for pervaporation, gas separation, ultrafiltration). The study of processes related to the production of biofuels.
Selected journals in which the results of the scientific group are published:
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Grants
Current main projects
- “Application of the methods of non-equilibrium thermodynamics for the solution of theoretical problems of chemical engineering: stability of multicomponent systems, phase and membrane separation, reaction and mass transfer processes”, Russian Foundation for Basic Research, 19-03-00375. Head of the project — A.M. Toikka. 2019–2021.
- “Critical states in multicomponent fluid systems with chemical interaction of components”, Russian Science Foundation, 21-13-00038. Head of the project — A.M. Toikka. 2021–2023.
- “Novel membrane materials for bioalcohol concentration, purification and regeneration of industrially significant solvents”, Russian Science Foundation, 21-79-03042. Head of the project — A.Y. Pulyalina. 2021–2022.
Main publications
Main publications of 2021
- D. Gromov, A. Toikka. Geometric Analysis of a System with Chemical Interactions // Entropy. 2021. V. 23, 1548. DOI: 10.3390/e23111548
- A. V. Petrov and A. M. Toikka. Comparative Atomic-level Analysis of Sorption and Diffusion Properties of Membrane Materials on the Base of Polymer and its Prepolymer // Membranes. 2021. V. 11. Article 925. DOI: 10.3390/membranes11120925
- A.M. Toikka, G.K. Misikov, A.V. Petrov. Analysis of Data on Vapor–Liquid Equilibrium in Multicomponent Systems Using Artificial Neural Networks // Theoretical Foundations of Chemical Engineering. 2021. V. 55(3). P. 403–409. DOI: 10.1134/S004057952103026X
- M. Farzaneh-Gord, H. R. Rahbari, B. Mohseni-Gharesafa, A. Toikka, I. Zvereva. Accurate determination of natural gas compressibility factor by measuring temperature, pressure and Joule-Thomson coefficient: Artificial neural network approach // Journal of Petroleum Science and Engineering. 2021. V. 202. 108427. DOI: 10.1016/j.petrol.2021.108427.
- A.M. Toikka, A.Y. Pulyalina, A.V. Petrov. Mobility of small molecules in membrane materials based on copolyimide P84 // Mendeleev Communications. 2021. V. 31(1). P. 79–80. DOI: 10.1016/j.mencom.2021.01.024
- V. Rostovtseva, A. Pulyalina, R. Dubovenko, I. Faykov, K. Subbotina, K. Novikov, N. Saprykina, L. Vinogradova, G. Polotskaya. Enhancing pervaporation membrane selectivity by incorporating star macromolecules modified with ionic liquid for intensification of lactic acid dehydration // Polymers. 2021. V. 13(11). 1811. DOI: 10.3390/polym13111811
- I.I. Faykov, V.A. Rostovtseva, , N.S. Tyan, A.Y. Pulyalina. A Deep Eutectic Solvent as a Modifier of Polyphenylene Oxide Membranes for Acetic Acid Dehydration // Membranes and Membrane Technologies. 2021. V. 3(2). P. 124–130. DOI:10.1134/S2517751621020037
- Samarov, A.A., Toikka, M.A., Toikka, A.M. Phase Equilibria in Alcohol–Ester Systems with Deep Eutectic Solvents Based on Choline Chloride at 293.15 and 313.15 K // Theoretical Foundations of Chemical Engineering. 2021. V. 55(2). P. 290–300. DOI: 10.1134/S004057952102010X
Main publications of 2020
- D. Gromov, A. Toikka. Toward Formal Analysis of Thermodynamic Stability: Le Chatelier—Brown Principle // Entropy. 2020. 22. Article 1113. DOI:10.3390/e22101113
- D. Gromov, A. Toikka. On an alternative formulation of the thermodynamic stability condition // Journal of Mathematical Chemistry. 2020. V. 58(6). P. 1219–1229. DOI: 10.1007/s10910-020-01126-1
- M. Farzaneh‑Gord, H. R. Rahbari, B. Mohseni‑Gharyehsafa, A. Toikka, I. Zvereva. Machine learning methods for precise calculation of temperature drop during a throttling process // J. Thermal Analysis and Calorimetry. 2020. V. 140(6). P. 2765–2778. DOI: 10.1007/s10973-019-09029-3
- A.V. Petrov, A.M. Toikka. Charge States of Sorption Centers in Matrimid // Glass Physics and Chemistry. 2020. V. 46(2). P. 186–188. DOI: 10.1134/S1087659620020091
- M. Trofimova, A. Sadaev, A. Samarov, A. Golikova, N. Tsvetov, M. Toikka, A. Toikka. Liquid-liquid equilibrium of acetic acid – ethanol – ethyl acetate – water quaternary system: Data review and new results at 323.15 K and 333.15 K // Fluid Phase Equilibria. 2020. V. 503. Article 112321. DOI: 10.1016/j.fluid.2019.112321
- A. Golikova, N. Tsvetov, A. Samarov, M. Toikka, I. Zvereva, M. Trofimova, A. Toikka. Excess enthalpies and heat of esterification reaction in ethanol + acetic acid + ethyl acetate + water system at 313.15 K // J. Thermal Analysis and Calorimetry. 2020. V. 139. P. 1301–1307. DOI:10.1007/s10973-019-08488-yvol(V0)
- A. Samarov, M. Trofimova, M. Toikka, A. Toikka. Experimental Data on Chemical Equilibrium in the System with Ethyl Formate Synthesis Reaction at 298.15 K // J. Chemical and Engineering Data. 2020. V. 65. Issue 5. P. 2578–2582. DOI: 10.1021/acs.jced.9b01205
- A. Pulyalina, I. Faykov, V. Nesterova, M. Goikhman, I. Podeshvo, N. Loretsyan, A. Novikov, I. Gofman, A. Toikka, G. Polotskaya. Novel Polyester Amide Membranes Containing Biquinoline Units and Complex with Cu(I): Synthesis, Characterization, and Approbation for n-Heptane Isolation from Organic Mixtures // Polymers. 2020. 12. Article 645. DOI:10.3390/polym12030645
- N. Tsvetov, A. Sadaeva, M. Toikka, A. Toikka. Excess molar heat capacity for the binary system n-propyl alcohol + water in the temperature range 278.15–358.15 K: new data and application for excess enthalpy calculation. // J. Thermal Analysis and Calorimetry. 2020. V. 142(5). P. 1977–1987. DOI: 10.1007/s10973-020-09605-y
- A. Pulyalina, V. Rostovtseva, I. Faykov, A. Toikka. Application of Polymer Membranes for a Purification of Fuel Oxygenated Additive. Methanol/Methyl Tert-butyl Ether (MTBE) Separation via Pervaporation: A Comprehensive Review // Polymers. 2020. V. 12. Article 2218. DOI:10.3390/polym12102218
- A. Pulyalina, V. Rostovtseva, I. Minich, O. Silyukov, M. Toikka, N. Saprykina, G. Polotskaya. Specific Structure and Properties of Composite Membranes Based on the Torlon® (Polyamide-imide)/Layered Perovskite Oxide // Symmetry. 2020. V. 12(7). Article 1142. DOI: 10.3390/sym12071142
- A. Pulyalina, V. Rostovtseva, D. Rudakova, L. Vinogradova, G. Polotskaya. Strongly Selective Polymer Membranes Modified with Heteroarm Stars for the Ethylene Glycol Dehydration by Pervaporation // Membranes. 2020. V. 10(5). Article 86. DOI: 10.3390/membranes10050086
- A. Pulyalina, M. Tataurov, I. Faykov, V. Rostovtseva, G. Polotskaya. Polyimide Asymmetric Membrane vs. Dense Film for Purification of MTBE Oxygenate by Pervaporation // Symmetry. 2020. V. 12(3). Article 436. DOI: 10.3390/sym12030436
- G. Polotskaya, A. Pulyalina, V. Lebedev, G.Török, D. Rudakova, L. Vinogradova. Novel view at hybrid membranes containing star macromolecules using neutron scattering and pervaporation dehydration of acetic acid // Materials & Design. 2020. V. 186. Article 108352. DOI: 10.1016/j.matdes.2019.108352
- A. Pulyalina, A. Larkina, M. Tataurov, L. Vinogradova, G. Polotskaya. Hybrid macromolecular stars with fullerene(C60) core included in polyphenyleneisophthalamide membranes for n-butanol dehydration // Fullerenes Nanotubes and Carbon Nanostructures. 2020. V. 28(1). P. 54–60. DOI: 10.1080/1536383X.2019.1671366
- A. A. Samarov, L. M. Shishaeva, A. M. Toikka. Phase Equilibria and Extraction Properties of Deep Eutectic Solvents in Alcohol–Ester Systems // Theoretical Foundations of Chemical Engineering. 2020. V. 54. No. 4. P. 551–559. DOI: 10.1134/S0040579520040259
- A. Samarov, I. Prikhodko, D. Liubichev, A. Toikka. Liquid-Liquid Equilibrium of Alcohol (Ethanol or n-Propanol)-Ester (Ethyl or n-Propyl Propionate) Systems with a Deep Eutectic Solvent Based on Choline Chloride at 293.15 K // J. Chemical and Engineering Data. 2020. V. 65(11). P. 5545–5552. DOI: 10.1021/acs.jced.0c00659
- I.V. Prikhod’ko, A.A. Samarov, A.M. Toikka, M. Farzaneh-Gord. Prediction of Sound Speed in Natural-Gas Mixtures Using the CP-PC-SAFT Equation of State // Theoretical Foundations of Chemical Engineering. 2020. V. 54(6). P. 1267–1275. DOI: 10.1134/S004057952006010X
Main publications of 2019
- A. Pulyalina, V. Rostovtseva, G. Polotskaya, L. Vinogradova, Z. Zoolshoev, M. Simonova, A. Hairullin, A. Toikka, Z. Pientka. Hybrid macromolecular stars incorporated poly(phenylene oxide) membranes: Organization, physical, and gas separation properties // Polymer. 2019. V. 172. P. 355–364. DOI: 10.1016/j.polymer.2019.04.005
- G. Polotskaya, A. Pulyalina, M. Goikhman, I. Podeshvo, I. Gofman, S. Shugurov, V. Rostovtseva, I. Faykov, M. Tataurov, A. Toikka, A. Polotsky A. Asymmetric Membranes Based on Copolyheteroarylenes with Imide, Biquinoline, and Oxazinone Units: Formation and Characterization // Polymers. 2019. V. 11. Article 1542. DOI: 10.3390/polym11101542
- A. Samarov, N. Shner, E. Mozheeva, A. Toikka. Liquid-liquid equilibrium of alcohol–ester systems with deep eutectic solvent on the base of choline chloride // The Journal of Chemical Thermodynamics. 2019. V. 131. P. 369–374. Doi: 10.1016/j.jct.2018.11.019
- M. Trofimova, A. Sadaev, A. Samarov, M. Toikka, A. Toikka. Solubility, liquid-liquid equilibrium and critical states for the quaternary system formic acid – ethanol – ethyl formate – water at 298.15 K and 308.15 K // Fluid Phase Equilibria. 2019. V. 485. P. 111–119. DOI: 10.1016/j.fluid.2018.12.024
- M. Toikka, A. Sadaeva, A. Samarov, A. Toikka. Solubility and critical surface in the system propionic acid – ethanol – ethyl propionate – water at 293.15, 303.15 and 313.15 K // The Journal of Chemical Thermodynamics. 2019. V. 132. P. 113–121. DOI: 0.1016/j.jct.2018.12.026
- I.V. Prikhod’ko, A.A. Samarov, A.M. Toikka. On Application of PC–SAFT Model for Estimating the Speed of Sound in Synthetic and Natural Oil-and-Gas Mixtures // Russian Journal of Applied Chemistry. 2019. V. 92. No. 2. P. 262−266. DOI: 10.1134/S1070427219020150
- A. M. Toikka, A. A. Samarov, M. Farzaneh-Gord, I. A. Zvereva. On Calculation of Some Properties of Natural Gas Using a Limited Number of Experimental Parameters // Theoretical Foundations of Chemical Engineering. 2019. V. 53. No. 1. P. 21–28. DOI: 0.1134/S0040579519010159
- A.V. Petrov, M.A. Smirnov, M.P. Sokolova, A.M. Toikka. Influence of Water Concentration on Its Mobility in Matrimid® // Coatings. 2019. V. 9. Article 466. DOI:10.3390/coatings9080466
- A.Yu. Pulyalina, M.N. Putintseva, G.A. Polotskaya, V.A. Rostovtseva, A.M. Toikka. Pervaporation Purification of Oxygenate from an Ethyl tert-Butyl Ether/Ethanol Azeotropic Mixture // Membranes and Membrane Technologies. 2019. V. 1. No. 2. P. 99–106. DOI: 10.1134/S2517751619020082
- A. Samarov, I. Prikhodko, N. Shner, G. Sadowski, C. Held, A. Toikka. Liquid−Liquid Equilibria for Separation of Alcohols from Esters Using Deep Eutectic Solvents Based on Choline Chloride: Experimental Study and Thermodynamic Modeling // J. Chemical and Engineering Data. 2019. V. 64. Issue 12. P. 6049–6059. DOI: 10.1021/acs.jced.9b00884