· The thermochemical and thermodynamic properties of key organic compounds that determine the direction of processing renewable raw materials to produce fuels and valuable chemical products have been experimentally studied.
· The chemical equilibrium of hydrogenation–dehydrogenation reactions of potential organic hydrogen accumulators related to O- and N-heterocycles and polycyclic aromatic hydrocarbons are studied.
· The database of the thermochemical and thermodynamic properties of potential organic hydrogen accumulators has been updated. This information is necessary for the formation of methods for reliable prediction of thermodynamic properties based on the regularities of "structure-property" with the involvement of ab initio quantum chemical methods.
· Prediction methods for thermodynamic (entropy, heat capacity, enthalpy change) and thermochemical (combustion enthalpy, sublimation enthalpy, evaporation enthalpy, melting enthalpy) properties of key compounds, their homologs, and related representatives of selected classes in the temperature range 100-1500K based on the regularities of "structure-property" with the involvement of ab initio quantum chemical methods were developed. This is useful information for optimizing promising processes for obtaining fuels and valuable chemical products from renewable organic raw materials and hydrogen storage technologies using unsaturated organic compounds.
· Effective deposited trimetallic catalytic systems based on sulfides (phosphides, nitrides) of metals of variable valence (Co(Ni)Mo(W)) and based on noble metals (Pt, Pd) and transition metals (Ni) were synthesized. These data are necessary for the implementation of the energy hydrogen cycle: the accumulation of hydrogen in the organic compound molecule (hydrogenation) – the release of hydrogen (dehydrogenation), as well as in the processes of obtaining fuels from renewable organic raw materials.
· The effect of the support nature, its textural characteristics, the chemical composition of the active phase, and its morphology on the catalytic activity and stability of the synthesized catalysts in the hydrogenation-dehydrogenation reactions of potential organic hydrogen carriers and in the processes of obtaining fuels from organic raw materials was studied.
· The experimental stand was created to test the developed technologies and catalysts that implement the hydrogen cycle of hydrogen accumulation-storage-release.
Implemented results of research:
- Application for patent «A liquid organic hydrogen carrier, a method of its production and a hydrogen cycle based on it». Registered on 15 October 2018.
- Application for patent «A method for selective hydration of styrol oligomers and styrene distillation residue, their applications as a liquid organic hydrogen carrier and a hydrogen cycle based on it». Registered on 15 October 2018.
- Application for patent «A liquid organic hydrogen carrier, a method of its production and a hydrogen cycle based on it». Registered on 15 October 2018.
Education and career development:
· Internships and training of Laboratory postgraduate students were organized at the Institute of Physical Chemistry of the University of Rostock (Germany), at the University of Lille (France).
· The annual symposium "Modern Challenges for Chemistry, Petrochemistry and Oil Refining" is held at the Samara State Technical University (Russia).
· Four schools for students, postgraduates, and young scientists "Promising technologies for processing renewable organic raw materials and accumulating hydrogen" were held at the Samara State Technical University (Russia).
· Members of the research team speak at Russian and international conferences, congresses, and symposia.
· 2 textbooks on catalysis in chemical technology and petrochemical synthesis processes in oil refining have been published.
· Educational and methodological complexes of documents on disciplines for the direction of training "Chemical technology" (bachelor's, master's, postgraduate studies) were developed.
· In 2018, the staff of the research team conducted advanced training of employees of "NK Rosneft," "Novokuibyshevsk Plant of Oils and Additives," according to the 72-hour program «Hydrogenation processes in the production of oils».
Organizational and structural changes:
Patents have been obtained in the field of implementation of hydrogen storage processes using liquid organic hydrogen carriers:
· Patent RU 2 714 810 C1 «Method of selective hydrogenation of styrene oligomers and reaction resin cubic residues, their use as a liquid organic hydrogen carrier, and a hydrogen cycle based on it»
· Patent RU 2 741 301 C1 «Diphenylferrocene as a liquid organic hydrogen carrier, as well as a hydrogen cycle based on it»
· Patent RU 2 725 230 C1 «Liquid organic hydrogen carrier, a method for its production and a hydrogen cycle based on it
· Patent RU 2 699 629 C1 «Liquid organic hydrogen carrier, a method for its production and a hydrogen cycle based on it»
Collaborations:
· One postgraduate student completed an internship in Rostock (Germany) under a joint grant from the Ministry of Science and Higher Education of the Russian Federation and the German Academic Exchange Service (DAAD)
· Two postgraduate students completed an internship under the Erasmus+ international mobility program with UCCS of the University of Lille (France).
· The laboratory employee is currently studying at the graduate school of the University of Rostock under the leading scientist S. P. Verevkin.
· Young scientists of the laboratory regularly undergo internships and training to work on modern devices for determining the physical and chemical properties of catalysts (Grenoble, Lyon (France), Moscow (Russia))
· In September 2019, a scientist from the University of Rostock (Germany) trained in conformational analysis in the laboratory.
