Department of Homogeneous Catalysis and Petroleum Additives
Head of Department: Полункін Євген Васильович – кандидат хімічних наук.
Address: 50, Kharkiv Highway, Kiev, Ukraine
Phone / Fax: (044) 559-70-54; (044) 559-71-81
Email: polunkin at i.ua
Google Scholar Profile:
Main research areas of the department:
- kinetics and mechanisms of metal complex and metal cluster catalysis of radical reactions; - creation of perspective new industrial complexes and metal-cluster additives for petroleum products (oils, plastic oils, process fluids) for industrial use;
- synthesis of new monomers and polymers based thereon, containing perfluoroaromatic, perfluoroaliphatic and metal-containing fragments, as binders and additives to composite materials (including solid lubricants);
- resource saving in petrochemical industries.
The Division conducts basic research in the field of catalysis and petrochemistry.
The main activities of the Department of Homogeneous Catalysis and Petroleum Additives Research are creation of theoretical bases of action of nanoscale clusters as catalysts in radical oxidation reactions of liquid organic compounds, identifying the possibilities of controlling these processes in order to obtain the components of motor fuels and fuel efficiency, and the use of motor fuels in various power plants - motor vehicles, aircraft and rocket engines.
The first proposed and developed by the Division cluster approach to the phenomenon of catalysis in the processes of oxidation of organic compounds in a liquid medium is important for the development of modern ideas about the mechanism of liquid-phase oxidation in the presence of micro-concentrations of nanoscale clusters. The phenomenon of nanoscale fragmentation of liquid solutions during the solvation of nanoparticles is considered. The symbathic nonmonotonic change of the physicochemical properties of solutions depending on the concentration of nanoparticles, which discretize the liquid phase, is experimentally shown.
For the first time, the effect of the inverse nature of the catalytic action of nanoparticles in radical reactions upon oxidation of liquid media was established. It has been shown that the inhibitory action of nanoparticles at low temperatures can be caused by the creation in the liquid around these additives of polarized zones from oriented molecules of the medium. Increasing the concentration of free radicals in local volumes contributes to their recombination and the breakdown of oxidation chains. At high temperatures, the destruction of these zones by the action of thermal vibrations of the molecules results in the release of electrons and free radicals into the liquid, which initiate the formation of new oxidation chains and accelerate the oxidation processes.
In the theory of cluster catalysis, the breakages of the oxidation chains of organic compounds (GO Kovtun) have been substantiated by three mechanisms of such reactions: reactions localized at the central nucleus of the cluster; reactions localized on the coordinated ligand and reactions localized on the products of homolytic replacement of the ligands by free radicals.
We propose a fourth mechanism for breaking the oxidation chains on the surface of the domain by polarized solvent molecules, which are part of the solvate-domain structure around the nanocluster and whose diameters depend on the size of the nanoparticles.
Theoretical aspects of studies of intermolecular interaction of synthesized nanoscale clusters with components of hydrocarbon and oxygenate fuels made it possible to develop biosafety nanoscale additives of multifunctional action to modern motor fuels, which improve their operational properties. Developed in the department of additives for motor fuels on the basis of spherical nanoscale clusters at the same time improve the anti-wear properties of equipment (in order to reduce wear in the friction zone), have high anti-corrosion properties, improve environmental performance and energy efficiency of fuels.
Computer-aided modeling of the full-atomic classical molecular dynamics method examined the structure of solvation shells in ethanol solution of a model nanoscale metal complex, estimated the number of oriented molecules in the first shell and in the ordered region.
The catalytic inhibitory effect of synthesized nanosized metal complexes on the initiated oxidation of benzyl alcohol at low temperatures and the auto-oxidation of benzyl alcohol and n-dodecane at elevated temperatures (100–150 ° C) was experimentally found.
The influence of nanoscale spherical carbon clusters on the process of high-temperature oxidation of motor fuel components during combustion of diesel fuel in engines is studied. According to the results of comparative motor tests, it was found that the addition of additives based on synthesized spherical carbon nanoclusters to the diesel fuel (with a content of nanoparticles in the fuel of 0.001 wt.%) Significantly affects the performance of the diesel engine: hourly fuel consumption decreased by 10%, effective efficiency increased 8%, NOx emissions decreased by 24%, CO emissions decreased from 0.075% to almost 0% due to increased combustion efficiency.
In the department together with D.A. Vinnichenko (Institute of Impulse Technologies of NAS of Ukraine) created the installation of plasma-chemical synthesis of carbon spherical nanoclusters from hydrocarbon gases. Functionalized fluorine-polished carbon nanospheres were first obtained.
For the first time, the method of realization of the process of conversion of synthesis gas to methanol under the conditions of mechanocactivation of the catalyst in situ was investigated and its effectiveness as an alternative for carrying out the process under atmospheric conditions was proved.
Pilyavskyi Volodymyr Stepanovich
Deputy Head Department, Senior Researcher, Candidate of Technical Sciences., Senior Researcher in Petrochemical Specialty
Main directions of research: tribological and chemotological aspects of the action of fuel and lubricants and petroleum products in machines and mechanisms, study of mechanisms of action of functional additives to petroleum products, creation of lubricants for various processes of friction and metalworking.
Eugene E. Sheludko
Senior Researcher, Candidate of Chemical Sciences.
Main areas of research: Specialist in the field of chemistry of high molecular weight compounds, synthesis of monomers for thermally stable heterochain polymers and ligands for metal complex oxidation inhibitors; atomic force microscopy of surfaces with nanoparticles of different nature.
Senior Researcher, Candidate of Chemical Sciences.
Investigation of volumetric method of kinetic regularities, stoichiometry and mechanisms of inhibition of processes of liquid-phase radical-chain oxidation of organic substrates by different chemical structures (nanosols of metals, mono- and polynuclear complexes of metals, nanocarbon spheroids.
Melnikova Svetlana Lvivna
Senior Researcher. Candidate of Chemical Sciences.
Main areas of research: identification and quantitative analysis of complex organic mixtures; determination of the influence of the inhibitory or initiating action of additives of different chemical structure on the kinetics of oxidation of motor fuel components; heterogeneous catalysis, development of alternative methods of activation of heterogeneous catalysts.
Himach Nataliya Yurievna
Researcher, Candidate of Chemical Sciences
Main directions of research:
heterogeneous catalysis, development of alternative ways of activation of heterogeneous catalysts;
research of technology of processing of solid household waste with obtaining synthesis gas and its subsequent conversion to oxygenates;
study of the course of conversion of synthesis gas into oxygenates.
Main areas of research: creation of ethanol motor fuels with high ethanol content and improved environmental performance; study of the effect of nanoscale multifunctional additives on the properties of ethanol fuels and commercial gasoline.
Bogomolov Yuri Ivanovich
Main areas of research: development and creation of environmentally friendly lubricants and hydraulic fluids. Development of hard-coatings for work in extreme conditions. Investigation of tribological and antioxidant properties of fuels and polymer materials with nanoscale additives.
Main areas of research: development of catalytic methods for processing bio-raw material waste with simultaneous production of nanocarbon residues as potential constituents of fertilizers for agriculture
Main directions of research: development of methods of synthesis and investigation of nanoscale carbon-based cluster compounds as additives that improve the physico-chemical and operational properties of fuels.
Main directions of research: research of processing of bioorganic raw materials by catalytic pyrolysis and carbonization with obtaining synthesis gas and carbon nanosized clusters.