Scientific program

Abstracts book

Program of RCCT-2022

Sunday, 21.08.2022.

Check in. Registration from 9.00 to 20.00

Monday, 22.08.2022

Registration from 8.00 to 9.00

9.00-11.00-Opening ceremony and plenary session

9.00-9.20 Opening ceremony

9.20-10.00 Kiselev Mikhail Grigorievich, TOWARDS SCREENING OF POLYMORHISM AT SUPERCRITICAL PARAMETERS OF STATE

10.00-10.40 Shchekin Alexander Kimovich, EFFECTS OF CONFINEMENT FOR SMALL AGGREGATES

10.40-11.20 Verevkin Sergey Petrovich, GIBBS–HELMHOLTZ EQUATION: PRACTICAL APPLICATIONS IN THERMOCHEMISTRY

Coffee break   11.20-11.50

11.50-14.00-Section reports

1) Development of General Methods and Tools of Chemical Thermodynamics: New Experimental Techniques, Theory and Computer Simulation

11.50-12.10

(keynote lecture)

  1.  

Viktorov Alexey Ismailovich

Partitioning of n-octanol in mixed micellar solutions of triton with 1-methyl-3-octylimidazolium chloride: experiment and model predictions

12.10-12.30

  1.  

Pisarev Vasily Vyacheslavovich

Molecular dynamics study of viscosity and excess entropy of hydrocarbons

12.30-12.50

  1.  

Mokshin Anatoly Vasilievich
Crystal nucleation in amorphous systems: universal scaling relations

12.50-13.10

  1.  

Polkovnikova Natalya Alexandrovna

National challenges in material informatics

13.10-13.25

  1.  

Olkhin Andrey Sergeevich

Non-equilibrium thermodynamics of Enceladus ice shield: how Lattice-Boltzmann modeling helps us establish what’s inside

13.25-13.40

  1.  

Akhmetshina Ekaterina Stepanovna

Homodesmotic method for determining the enthalpy of formation of free alkyl radicals

2) Thermodynamics of Functional Materials, Interfacial and Confined Phenomena

11.50-12.20 (keynote lecture)

  1.  

Basova Tamara Valerievna

Fluorosubstituted metal phthalocyanines: physicochemical properties and thin films

12.20-12.40

  1.  

Malakhov Alexander Olegovich

Selectivity of gas separation membranes: an approximate predictive model

12.40-13.00

  1.  

Okhotnikova Ekaterina Sergeevna

Study of the bitumen phase composition by calorimetric method

13.00-13.20

  1.  

Zvereva Irina Alekseevna

Particularities of structure and thermodynamic properties of layered perovskite photocatalysts

13.20-13.40

  1.  

Samsonov Vladimir Mikhailovich

Nanothermodynamics: difficulties, advances and prospects

13.40-13.55

  1.  

Davydov Nikita Anatolievich

Photocatalytic activity of layered perovskite-like oxide H2La2Ti3O10 intercalated with n-octylamine

3) Supramolecular systems

11.50-12.20 (keynote lecture)

  1.  

Ustinov Evgeny Alexandrovich

External fields method in molecular simulation and thermodynamics of 2D crystals

12.20-12.40

  1.  

Ziganshin Marat Akhmedovich

Self-assembly, sorption and thermal properties of short-chain oligopeptides

12.40-13.00

  1.  

Oparin Roman Dmitrievich

Role of an intramolecular hydrogen bond in lidocaine conformer distribution and polymorph stability

13.00-13.15

  •  
  1.  

Gatiatulin Askar Kamilevich

The role of water in guest inclusion by native cyclodextrins

13.15-13.30

Eroshkin Yuri Andreevich

Designing the aggregation work for a cylindrical micelle using minimization by micelle shape parameters

13.55-15.30 Dinner

15.30-17.30 Plenary session

15.30 -16.10 Navrotsky Alexandra, ORGANICS MATTER: COMMON FEATURES IN ENERGETICS OF POLYMER DERIVED CERAMICS, METAL ORGANIC FRAMEWORKS, AND OTHER HYBRID MATERIALS

16.10 -16.50 James Chickos, ESTIMATIONS OF THE LIQUID AND SOLID HEAT CAPACITY OF LARGE MOLECULES BY GROUP ADDITIVITY

16.50 -17.30 Vecchio Ciprioti Stefano THERMODYNAMIC STUDY OF

FORMAMIDINIUM LEAD IODIDE (CH5N2PbI3) FROM 5 TO 357 K

17.30 – 18.30  Poster session (Participants in an alphabetical order from А to Ж)

19.30 – 22.00  Buffet

Tuesday, 24.08.2022.

9.00-11.00-Plenary session.

9.00-9.40 Gavrichev Konstantin Sergeevich, THERMODYNAMIC PROPERTIES OF MIXED OXIDES FOR THERMAL BARRIER COATINGS: RE ZIRCONATES, HAFNATES, TANTALATES

9.40-10.20 Zherikova Ksenia Vasilievna, METAL-ORGANIC COMPOUNDS FOR GAS-PHASE DEPOSITION: HOW DO WE TINKER WITH THERMODYNAMIC AND THERMOCHEMICAL DATA POOL?

10.20-10.40  – Oral report

Malyshev Vladimir Mikhailovich, COMPUTERIZED MEASURING DEVICES IN ADIABATIC CALORIMETRY

10.40  – 11.30  Coffee break

11.30 – 13.50  Section reports

1) Thermochemistry and Databases. Organic and organometallic compounds.

11.30-12.00 (keynote lecture)

  1.  

Markin Alexey Vladimirovich

Experimental calorimetry for study of materials based on organic, organoelement and polymeric compounds

12.00-12.20

  1.  

Vera L.S. Freitas

Thermodynamic properties of an organic single crystal scintillator: 9-phenylcarbazole

12.40-13.00

  1.  

Yagofarov Mikhail Iskanderovich

Temperature dependence of phase transition enthalpies of organic non-electrolytes

13.00-13.20

  1.  

Makarenko Alexander Mikhailovich

Scandium(III) β-diketonates as MOCVD precursors: thermodynamic and “structure-property” relationships

13.20-13.35

  1.  

Yurkshtovich Yana Nikolaevna

Experimental and theoertical thermodynamic study of 1-benzyl-4-phenyl-1H-1,2,3-triazole and 1,3-bis(1-methyl-1H-tetrazol-5-yl)propane in gaseous and condensed aggregate states

13.35-13.50

  1.  

Karakovskaya Ksenia Igorevna

Relations between structure and thermal behavior of MOCVD precursors: iridium (I) complexes with cyclooctadiene-1,5 and beta-diketonate derivatives

2) Modern Thermal Analysis and Calorimetry (dedicated to L.G. Berg). Fast scanning calorimetry.

11.30 -12.00 (keynote lecture)

  1.  

Cangialosi Daniele

Insights on glass dynamics from aging far below the glass transition

12.00-12.20

  1.  

Minakov Alexander Alexandrovich

Thermal perturbations at crystal nucleation in glasses and polymers

12.20-12.40

  1.  

Gerasimov Alexander Vladimirovich

Crystallization kinetics and glass-forming ability of drugs from fast scanning calorimetry data

12.40-12.55

  1.  

Andrianov Ruslan Arturovich

The stability of poly-L-lactide nuclei according to the classical nucleation theory and fast scanning calorimetry

12.55-13.10

  1.  

Abdullin Albert Radikovich

FSC study of crystallization kinetics of cross-linked poly(butylene terephthalate)

3) Phase Equilibria: Molecular and Ionic Compounds. Ионные жидкости

11.30 -12.00 (keynote lecture)

  1.  

Sedov Igor Alekseevich

Novel approaches for characterizing nanoheterogeneity in ionic liquids

12.00-12.20

  1.  

Makarov Dmitry Mikhailovich

QSPR models for phase transition and decomposition temperature of ionic liquids

12.20-12.40

  1.  

Postnikov Evgeny Borisovich

Predicting thermodynamic properties of ionic liquids at high pressures based on the reference data at ambient pressure

12.40-13.00

  1.  

Safonova Evgenia Alekseevna

Polymerized ionic liquids for the enhanced bioextraction

13.00-13.20

  1.  

Kalinyuk Daria Alexandrovna

Thermodynamic functions of formation of 1-ethyl- and 1-buthyl-3-methylimidazolium clorides

13.20-13.35

  1.  

Korchak Petr Andreevich

Liqiud-liquid equlibrium and partitioning of biocomponent in aqueous mixtures of ionic liquid of different structure and kosmotropic salt

13.35-13.50

  1.  

Shelepova Ekaterina Alekseevna

Empty volume in ionic liquids and its connection with the solubility of gases

13.50-15.00 –Dinner

15.00-17.00-Section reports

1) Thermochemistry and Databases. Inorganic compounds.

15.00-15.30 (keynote lecture)

  1.  

Khvan Alexandra Vyacheslavovna

Experimental and theoretical investigation and critical assessment of thermodynamic data for pure in, cu and some binary systems from 0K

15.30-15.50

  1.  

Blokhin Andrey Viktorovich

Heat capacity in the interval 80-370 K and parameters of phase transitions of barium dopped strontium ferromolybdate

15.50-16.10

  1.  

Shtenberg Mikhail Vladimirovich

Calculation of temperature dependences of heat capacity of alkaline borates

16.10-16.30

  1.  

Ostroushko Alexander Alexandrovich

Complex thermal analysis of oxide materials synthesis processes via combustion reactions taking into account charge generation

16.30-16.45

  1.  

Tolmacheva Nelli Nikolaevna

Thermodynamic properties of the Na2O-BaO-B2O3 system

16.45-17.00

  1.  

Osipenko Anastasia Alexandrovna

Thermodynamic behaviour of palladium in LiCl–KCl–CsCl eutectic melt

2) Phase Equilibria: Molecular and Ionic Compounds

15.00-15.30 (keynote lecture)

 

  1.  

Toikka Alexander Matveevich

Liquid phase splitting and critical states in quaternary systems with chemical reactions: new experimental data

15.30-15.50

  1.  

Pestov Sergey Mikhailovich

Thermodynamic modelling of systems containing liquid crystals

15.50-16.05

  1.  

Kuzovchikov Semyon Valerievich

Phase stability and thermodynamic modelling of alloys based on the Co-Cr-Mn system

16.05-16.20

  1.  

Brezhnev Nikolai Yurievich

Phase diagram for the In-Se system according to the data of the thermal, structural and vapor-pressure investigations

16.20-16.40

Bazaev Emil Akhmedovich

Phase transitions, critical and supercritical phenomena in ternary mixture of water +1-propanol+n-hexane


3) Modern Thermal Analysis and Calorimetry (dedicated to L.G. Berg). Fast scanning calorimetry.

16.20-16.40

Bazaev E.A. (p.97)

Phase transitions, critical and supercritical phenomena in ternary mixture of water +1-propanol+n-hexane

15.00-15.30 (keynote lecture)
46.               

Zhuravlev Evgeny Alexandrovich

Polymer and metal powders for additive manufacturing guided by differential fast scanning calorimetry

15.30-15.50

  1.  

Tropin Timur Vasilievich

Modeling of DSC curves of polystyrene during glass transition: from conventional to fast cooling rates

15.50-16.10

  1.  

Buzyurov Alexey Vladimirovich

New approach for vapor pressure determination by means of fast scanning calorimetry

16.10-16.25

  1.  

Bolmatenkov Dmitry Nikolaevich

Vaporization enthalpy of organic non-electrolytes in a wide temperature range: pencil and paper vs experimental measurements

16.25-16.40

  1.  

Larionov Radik Anatolievich

Thermal and supramolecular properties of oligopeptides

17.00-18.30    Poster session (Participants in an alphabetical order from З to П)

Wednesday, 24.08.2022

9.00-11.00 – Plenary session.

9.00-9.40 Solomonov Boris Nikolaevich,THE DISSOLUTION THERMODYNAMICS AS THE KEY TO UNDERSTANDING VARIOUS PHYSICOCHEMICAL PHENOMENA

9.40-10.20 Mukhametzyanov Timur Anvarovich, FAST SCANNING CALORIMETRY: NEW OPPORTUNITIES FOR CHEMICAL THERMODYNAMICS

10.20-11.00 Varfolomeev Mikhail Alekseevich, THERMOCHEMISTRY OF NATURAL GAS STORAGE

11.00 – 11.30  Coffee break

11.30 – 13.00  Section reports

1) Applied Thermodynamics and Biothermodynamics (dedicated to A.A. Pimerzin)

11.30 -12.00 (keynote lecture)

  1.  

Bykov Alexey Gennadievich

Proteins, polyelectrolytes and copolymers for pulmonary surfactants

12.00-12.20

  1.  

Maksimov Evgeniy Georgievich

Control of hydrogen bonding in photoactive orange carotenoid protein by noncanonical amino acid substitutions of tyrosine-201

12.20-12.40

  1.  

Manin Alexey Nikolaevich

Study of the cocrystallization effect on the carbamazepine thermal stability

12.40-13.00

  1.  

Portnova Svetlana Valerievna

Influence of the structure of esters of natural hydroxycarboxylic acids on thermodynamic and thermophysical property

2) Thermochemistry and Databases. Organic and organometallic compounds.

11.30 -12.00 (keynote lecture)

  1.  

Smirnova Natalia Nikolaevna

The dependence of thermodynamic properties of polyphenylenes on their structure

12.00-12.20

  1.  

Dávalos Juan Z

Thermochemical and structural properties of the new sulphur-containing compounds with relevance on atmospheric chemistry

12.20-12.40

  1.  

Samarov Artemy Andreevich

Alkyl-substituted biphenyls as potential candidates for liquid organic hydrogen carriers

12.40-12.55

  1.  

Sarmini Yulia Alexandrovna

Study of the thermodynamic properties of organosilicon dendrimers and their corresponding nanogels with different nature terminal groups

3) Thermodynamics of solutions

11.30 -12.00 (keynote lecture)

  1.  

Kustov Andrey Vladimirovich

Solvophobic and solvophilic effects in urea and tetramethylurea solutions

12.00-12.20

  1.  

Kononova Elena

Research of the systems amino-alcohol – water

12.20-12.40

  1.  

Germanovna

Thermodynamic models for aqueous, organic and electrolyte solutions

12.40-13.00

  1.  

Kovalenko Nikita Andreevich

Dependence of formal electrode potential on ionic strength

13.00-14.00    Dinner

14.00-18.00    Excursion.

19.00-22.00    Banquet.

Thursday, 25.08.2022

9.00-11.00 Plenary session.

9.00-9.40 Budkov Yury Alekseevich, MEAN-FIELD THEORY OF MACROSCOPIC FORCES IN INHOMOGENEOUS IONIC FLUIDS

9.40-10.20 Fedorov Pavel Pavlovich, APPLICATION OF THE THIRD LAW OF THERMODYNAMICS TO THE STUDY OF PHASE DIAGRAMS

10.20-11.00 Baidakov Vladimir Georgievich, LIMITS OF STABILITY OF METASTABLE PHASES AND METASTABLE PHASE EQUILIBRIA IN SIMPLE ONE-COMPONENT SYSTEM

11.00 – 11.30  Coffee break

11.30 – 13.50  Section reports

1) Amphiphilic compounds: thermodynamics of self-organization, physicochemical properties and practical application.

11.30-12.00 (keynote lecture)

  1.  

Derkach Svetlana Rostislavovna

Gelatin as a stabilizer for emulsions: molecular modification

12.00-12.20

  1.  

Gainanova Gulnara Akhatovna

Ammonium-phosphonium-isothiuronium amphiphiles: CMC, solubilizing capability and catalytic effect

12.20-12.40

  1.  

Burilov Vladimir Alexandrovich

New macrocyclic amphiphiles for sensing and green micellar&metal/photocatalysis

12.40-12.55

  1.  

Pavlov Rais Valerievich

Aggregation of carbamate gemini surfactants and their potential as liposome modifiers

12.55-13.10

  1.  

Radaev Dmitry Denisovich

Amphiphilic NHC precursors based on imidazole-4,5-dicarboxylic acid: synthesis and aggregation in aqueous media.

13.10-13.25

  1.  

Faria Bruna Franciele

Simulation of surfactant adsorption at liquid-liquid interface

13.25-13.40

  1.  

Oselskaya Victoria Yurievna

Hydration effect on encapsulation of indometacin by solid cyclodextrins

13.40-13.55

  1.  

Chirkov Nikolai Sergeevich

Formation of mixed DNA/polyelectrolyte layers at the water–air interface

2) Applied Thermodynamics and Biothermodynamics (dedicated to A.A. Pimerzin). Biothermodynamics

11.30-12.00 (keynote lecture)

  1.  

Noskov Boris Anatolievich

Protein microgel layers at the liquid-gas interface

12.00-12.20

  1.  

Milyaeva Olga Yurievna

The impact of thrombine on dynamic surface properties of fibrinogen solutions

12.20-12.40

  1.  

Magsumov Timur Ilnurovich

Influence of organic solvents on thermal stability and denaturation mechanism of lysozyme

12.40-13.00

  1.  

Akentiev Alexander Vladimirovich

Films of lysozyme fibrillar aggregates on the water surface

13.00-13.20

  1.  

Bazhin Nikolai Mikhailovich

Helmholtz energy: is it energy or not?

13.20-13.35

  1.  

Khaibrakhmanova Dilyara Raisovna

Evaluation of the binding properties of drugs to albumin from DSC thermograms

13.35-13.50

  1.  

Fatkhutdinova Alisa Amirovna

Step-scan differential scanning calorimetry for investigation of protein denaturation

3) Development of General Methods and Tools of Chemical Thermodynamics: New Experimental Techniques, Theory and Computer Simulation. Quantum Chemical Methods.

11.30-12.00 (keynote lecture)

  1.  

Khursan Sergey Leonidovich

Homodesmotic method for studying the molecular energetics of organic compounds

12.00-12.30

  1.  

Medvedev Nikolai Nikolaevich

Voronoi-Delaunay method. Applications to solutions

12.30-12.50

  1.  

Ageenko Vera Nikolaevna

Monoethanolamine hydration as seen by dielectric relaxation spectroscopy and quantum chemical calculations

12.50-13.10

  1.  

Rychkov Denis Alexandrovich

Comparison of different computational techniques for evaluation of quercitin conformers

13.10-13.30

  1.  

Chuev Gennady Nikolaevich

A new approach to the calculation of solvation effects in biomolecular solutions in the framework of the classical density functional theory

13.30-13.45

  1.  

Maltsev Maxim Alexandrovich

Quantum chemical study of the interatomic interaction of diatomic argides

4) Phase Equilibria: Molecular and Ionic Compounds

11.30-12.00 (keynote lecture)

  1.  

Gorbatchuk Valery Vilenovich

Thermodynamics of molecular recognition and polymorphism

12.00-12.20

  1.  

Almeida Ana Rita Rocha Pinheiro

Pressure-temperature phase diagrams near the triple point of four benzaldehydes

12.20-12.40

  1.  

Golikova Alexandra Dmitrievna

Heat effects of phase and chemical processes in a multicomponent system with chemical interaction

12.40-13.00

  1.  

Kabanova Elizaveta Genrikhovna

Experimental study and CALPHAD modeling of the Ag-In-Pd ternary

13.00-13.20

  1.  

Guskov Vladimir Yurievich

Thermodynamic features of enantiomer adsorption on the surfaces with supramolecular chirality

13.20-13.35

  1.  

Lyubichev Dmitry Alekseevich

Separation of azeotropic mixtures: novel approaches of using choline chloride based deep eutectic solvents

13.35-13.50

  1.  

Smirnov Alexander Alekseevich

Investigation of the efficiency of the ethanol-ethyl formate system separation by various DESS based on choline chloride

13.50-15.00    Dinner

15.00-16.40    Section reports

1) Amphiphilic compounds: thermodynamics of self-organization, physicochemical properties and practical application.

15.00-15.30 (keynote lecture)

  1.  

Zakharova Lucia Yarullovna

Structural factor controlling self-assembly behavior and functional activity of surfactant systems

15.30-15.50

  1.  

Ziganshina Albina Yulduzovna

Stimuli-responsive nanocarriers for substrate binding and release

15.50-16.10

  1.  

Volkov Nikolai Alexandrovich

Modelling micelles in polar and non-polar solvents: from single aggregate to aggregates size distribution

16.10-16.25

  1.  

Belov Roman Nikolaevich

Reductive cleavage of C-O bonds in p-tert-butylcalix[4]arene derivatives in the presence of hydrazine.

16.25-16.40

  1.  

Makarov Egor Grigorievich

Novel tetra-azide and triazole derivatives of thia- and calix[4]arene with free phenolic hydroxyls

2) Thermochemistry and Databases. Inorganic compounds.

15.00-15.30 (keynote lecture)

  1.  

Kurapova Olga Yurievna

The use of the thermodynamic approach for advanced ceramics development

15.30-15.50

  1.  

Semerikova Anna Nikolaevna

Thermodynamic characteristics of cesium dimolybdate and lithium monomolybdate doping by 10% cesium

15.50-16.10

  1.  

Silyukov Oleg Igorevich

Inorganic-organic derivatives of layered perovskite-like oxides thermal stability and photocatalytic activity

16.10-16.25

  1.  

Kutuzova Valeria Evgenievna

Study of Al2O3 – ZrO2 -Yb2O3 precursors by the differential scanning calorimetry

16.25-16.40

  1.  

Vorozhtsov Viktor Alekseevich

Mass spectrometric study and modeling of the thermodynamic properties of the Al2O3-SiO2-ZrO2 system

3) Термохимия и базы данных. Органические и металлоорганические соединения.

15.00-15.20

  1.  

Ribeiro da Silva Maria Dores Melo Cruz

An experimental insight on the thermochemistry of naphthalene diols

15.20-15.40

  1.  

Nagrimanov Ruslan Nailievich

New relationship between enthalpies of vaporization and solution for molecular and ionic liquids

15.40-16.00

  1.  

Chernyaykin Ivan Sergeevich

Heat capacity and thermodynamic functions of crystalline copper(II) dipivaloylmethanate from 0 to 430 K

16.00-16.20

  1.  

Miroshnichenko Evgeny Alexandrovich

The rearrangement energy of frame radicals

4) Thermodynamics of solutions

15.00-15.20

  1.  

Tkachev Nikolai Konstantinovich

Thermodynamic perturbation theory for molten alkali halides

15.20-15.40

  1.  

Khodov Ilya Anatolievich

Conformational preferences of fenamates in supercritical state parameters of the solvent based on NOESY data

15.40-16.00

  1.  

Anashkin Ivan Petrovich

Molecular simulation of the pervaporation process

16.00-16.20

  1.  

Kadtsyn Evgeny Dmitrievich

Volumetric properties of aqueous alcohol solutions: a Voronoi analysis

16.40-18.10   Poster session (Participants in an alphabetical order from Р to Я)

Friday, 26.08.2022.

9.00-10.40 Oral presentations

9.00-9.20 Sun Li-Xian, ENERGY STORAGE MATERIALS AND SENSORS

9.20-9.40 Sineva Svetlana Igorevna  HIGH-TEMPERATURE PHASE EQUILIBRIA IN THE Fe-Sn-S SYSTEM

9.40-10.00 Lőrinczy Dénes Márton,  APPLICATION OF DSC FOR STUDYING THE DOSE DEPENDENT EFFECT OF CYCLOPHOSPHAMIDE TREATMENT ON ACTIN

10.00-10.20    Meier Robert  GROUP CONTRIBUTION REVISITED: THE ENTHALPY OF FORMATION OF ORGANIC COMPOUNDS WITH “CHEMICAL ACCURACY”

10.20-11.00    Coffee break.

11.00-12.20    Plenary session

11.00-11.40 Turovtsev Vladimir Vladimirovich APPLICABILITY OF POPULAR FUNCTIONALS IN CALCULATIONS OF THE ENERGY, THERMODYNAMIC AND SPECTROSCOPIC PROPERTIES OF SUBSTANCES

11.40-12.20 Tovbin Yuri Konstantinovich EQUILIBRIUM DROPS: A DIFFERENCE BETWEEN THERMODYNAMICS BY CLAUSIUS AND GIBBS IN TASKS OF THE PHASE EQUILIBRIUM

12.20   Closing ceremony.

Saturday, 27.08.2022

10.00-13.00 Training Seminar on Fast Scanning Calorimetry