Monday, June 29
11:00-14:00
Registration
14:00-15:20
Opening ceremony
Plenary Lectures (700)
Stolyarova V.L., Gavrichev K.S.
Stolyarova V.L., Gavrichev K.S.
15:20-16:00
SCIENTIFIC SCHOOL OF ACADEMICIAN Y.D. TRETYAKOV IN THERMODYNAMICS AND MATERIALS SCIENCE
16:00-16:40
SCIENTIFIC LEGACY OF NATALIA SMIRNOVA: PHYSICAL CHEMISTRY FROM THE PERSPECTIVE OF MOLECULAR THERMODYNAMICS
16:40-17:20
ON THE 75TH ANNIVERSARY OF THE DEPARTMENT OF CHEMICAL THERMODYNAMICS AND KINETICS OF SAINT PETERSBURG STATE UNIVERSITY
17:20-17:50
Honoring the laureates of the G.F. Voronin award for young scientists
S3: Thermodynamic properties and processes in solutions and fluids (700)
17:50-18:30
A SEMI-EMPIRICAL MOLECULAR APPROACH TO THE THERMODYNAMIC MODELING OF AQUEOUS SOLUTIONS OF NON-POLAR GASES AT INFINITE DILUTION
18:30-20:30
Welcome Party
Tuesday, June 30
Plenary Lectures (700)
Stolyarova V.L., Khvan A.V.
Stolyarova V.L., Khvan A.V.
09:00-09:40
QUASI-EQUILIBRIUM OXYGEN RELEASE METHOD FOR STUDYING MATERIALS WITH MIXED IONIC - ELECTRONIC CONDUCTIVITY
09:40-10:20
CHEMICAL THERMODYNAMIC STUDY OF ENERGY MATERIALS
10:20-11:00
CONFORMATIONAL EQUILIBRIA AT THE CRYSTAL-SUPERCRITICAL FLUID INTERFACE
11:00-11:40
THERMODYNAMIC MODELLING: FROM THERMODYNAMIC DATABASE TO INDUSTRIAL PROCESS SIMULATION
11:40-11:55
Аналитическое оборудование из Китая сегодня. Обзор текущих возможностей, а также современные решения в области термоанализа
11:55-12:25
Coffee Break
S1: Fundamental issues and new challenges in chemical thermodynamics (204)
Toikka A.M., Zuev A.Yu.
Toikka A.M., Zuev A.Yu.
12:25-12:55
MULTIREACTION APPROACH TO QUANTUM THERMOCHEMISTRY
12:55-13:10
PROBLEMS OF THERMODYNAMIC ANALYSIS OF EUTECTIC SYSTEMS
13:10-13:25
NEW VOLUMETRIC CHARACTERISTIC FOR SOLUTION THERMODYNAMICS
S2: Thermodynamic properties and processes in solids (304)
Bespyatov M.A., Tsvetkov D.S.
Bespyatov M.A., Tsvetkov D.S.
12:25-12:55
LOW-TEMPERATURE THERMODYNAMIC PROPERTIES OF SINGLE CRYSTALS OF DOUBLE ALKALI METAL MOLYBDATES
12:55-13:10
CALORIMETRIC STUDY OF HYDROGEN REACTION WITH LAVES PHASE C14
13:10-13:25
EXPERIMENTAL INVESTIGATION OF HOMOGENEITY REGIONS AND THERMODYNAMIC PROPERTIES OF G PHASE IN QUATERNARY Ni-{Mn, M}-Si SYSTEMS (M = Fe, Ti, Cr, Nb)
S3: Thermodynamic properties and processes in solutions and fluids (402)
Kiselev M.G., Oparin R.D.
Kiselev M.G., Oparin R.D.
12:25-12:40
ANION EFFECTS ON THE DYNAMICS OF DEEP EUTECTIC SOLVENTS BASED ON TRIS SALTS AND ETHYLENE GLYCOL
12:40-12:55
CRITICAL TEMPERATURES, PRESSURES, THERMAL DIFFUSIVITIES, AND HEAT CAPACITIES OF ALKYL LACTATES
12:55-13:10
EFFECT OF THE SATURATION DEGREE OF A NANOCRYSTALLINE CELLULOSE AEROGEL WITH MEFENAMIC ACID ON THE PROBABILITY OF ITS REACTION WITH SUPERCRITICAL CARBON DIOXIDE WITHIN THE AEROGEL PORES
13:10-13:25
SOLVATION PROPERTIES OF PROTIC IONIC LIQUIDS WITH DIFFERENT NANOHETEROGENEOUS STRUCTURE
S4: Thermodynamics of heterogeneous systems, surfaces, interphase and membrane processes, and nanoscale systems (700)
Cherepanov V.A., Zelenina L.N.
Cherepanov V.A., Zelenina L.N.
12:25-12:55
DIFFERENT STATES OF WATER IN α-, β-, AND γ-CYCLODEXTRIN HYDRATES
12:55-13:10
DYNAMIC SURFACE ELASTICITY OF DISPERSIONS OF OVALBUMIN FIBRILS
13:10-13:25
OSMOLYTE-MODULATED DIFFERENTIAL CAPACITANCE AND DISJOINING PRESSURE IN NANOCONFINED ELECTROLYTES
S6: Thermodynamic aspects of synthesizing, analyzing and predicting the properties of novel materials (430)
Gorbatchuk V.V., Krasilin A.A.
Gorbatchuk V.V., Krasilin A.A.
12:25-12:40
INVESTIGATION OF THE THERMODYNAMIC STABILITY OF ULTRASTABLE GLASSES BY SOLUTION CALORIMETRY AND DSC
12:40-12:55
THERMODYNAMICS OF GUEST INCLUSION BY POLYMORPHS OF NATIVE CYCLODEXTRINS
12:55-13:10
FORMATION THERMODYNAMICS FOR IPRONIAZID MULTICOMPONENT CRYSTALS WITH DIHYDROXYBENZOIC ACIDS
13:10-13:25
THERMODYNAMIC AND ELECTRONIC FACTORS GOVERNING STABILITY OF CYCLOTRIPHOSPHAZENES
13:25-14:30
Lunch Break
S1: Fundamental issues and new challenges in chemical thermodynamics (204)
Budkov Yu.A., Solomonov B.N.
Budkov Yu.A., Solomonov B.N.
14:30-14:45
HEAT CAPACITY AND VISCOSITY OF GLASSES AND MELTS IN THE SYSTEM Al2O3-CaO-MgO-SiO2-TiO2
15:00-15:15
THERMODYNAMIC ANALYSIS OF MODERN APPROACHES TO UNDERSTANDING THE NATURE OF DEEP EUTECTIC SOLVENTS
15:15-15:30
MODELLING THE EFFECTS OF COUNTERION CONDENSATION AND CHAIN STRUCTURE IN AQUEOUS POLYELECTROLYTE SOLUTION WITH ADDED SALT
15:30-15:45
RELATIONSHIPS BETWEEN ENTHALPY AND VOLUME CHANGES ON MELTING OF ORGANIC NON-ELECTROLYTES
15:45-16:00
LIGAND-MEDIATED REGULATION OF SERUM ALBUMIN FIBRIL FORMATION
S2: Thermodynamic properties and processes in solids (304)
Gavrichev K.S., Bissengaliyeva M.R.
Gavrichev K.S., Bissengaliyeva M.R.
14:30-15:00
STRUCTURE-PROPERTY RELATIONSHIP IN SUBSTITUTED BENZENES: MULTIFIDELITY METHODS TO QUANTIFY AND UNDERSTAND INTERACTIONS AMONG SUBSTITUENTS ON THE BENZENE RING
15:00-15:15
SOLID-PHASE SYNTHESIS OF TERBIUM AND DYSPROSIUM DOUBLE TITANATES AND THEIR THERMODYNAMIC PROPERTIES
15:15-15:30
ADDITIVE MANUFACTURING AND THERMODYNAMICS
15:30-15:45
ENCAPSULATION OF THE ANESTHETIC SEVOFLURANE BY TERT-BUTYLCALIX[4]ARENE DERIVATIVE
15:45-16:00
HEAT CAPACITY OF Ca2Ga2-xFexGeO7 (x = 0; 0.05)
S3: Thermodynamic properties and processes in solutions and fluids (402)
Volkov N.A., Postnikov E.B.
Volkov N.A., Postnikov E.B.
14:30-14:45
EXPERIMENTAL INDICATION OF TRANSITION BETWEEN NADES AND MINAC
14:45-15:00
ALL-ATOM MOLECULAR DYNAMICS MODELLING OF SURFACTANTS IN SOLUTIONS
15:00-15:15
STABILITY OF GOLD(III) COMPLEXES WITH VARIOUS N,O-DONOR LIGANDS INCLUDING HYDRAZONES, MACROCYCLES AND BIOMOLECULES
15:15-15:30
FREE ENERGY OF A SOLVENT MOLECULE: CONVENTIONAL IDEAL GAS APPROXIMATION VS. EXPERIMENTAL THERMODYNAMIC DATA
15:30-15:45
THERMAL EFFECTS OF CAESIUM ACETATE SOLVATES DISSOLUTION AND THE RELATIONSHIP OF STRUCTURE AND PROPERTIES
15:45-16:00
WATER ACTIVITY MODELS FOR CHARACTERIZING TRANSITIONS BETWEEN DEEP EUTECTIC SOLVENTS AND REGULAR SOLUTIONS
S4: Thermodynamics of heterogeneous systems, surfaces, interphase and membrane processes, and nanoscale systems (700)
Victorov A.I., Konstantinova N.M.
Victorov A.I., Konstantinova N.M.
14:30-14:45
MODELING OF ADSORPTION LAYERS ON NANOPARTICLES IN AQUEOUS SOLUTIONS OF NONIONIC SURFACTANTS
14:45-15:00
STUDY OF THE CHEMICAL POTENTIAL OF WATER IN SMECTITE CLAYS
15:00-15:15
INTERPOLYMER REACTIONS AND PHASE BEHAVIOR IN THE LIGNOSULFONATE–CHITOSAN SYSTEM WITH THE FORMATION OF POLYELECTROLYTE COMPLEXES
15:15-15:30
POLYMORPHISM OF 4,7-DIPHENYL-2,1,3-BENZOTHIADIAZOLE DERIVATIVE CRYSTALS
15:30-15:45
THERMODYNAMIC PROPERTIES OF TELLURIUM ALLOYS WITH d-ELEMENTS – NICKEL, IRON, MOLYBDENUM, CHROMIUM
15:45-16:00
SURFACE TENSION OF VAPOUR PHASE NUCLEI IN OXYGEN–NITROGEN SOLUTIONS
S6: Thermodynamic aspects of synthesizing, analyzing and predicting the properties of novel materials (430)
Markin A.V., Sereda V.V.
Markin A.V., Sereda V.V.
14:30-14:45
INFLUENCE OF MOLECULAR SYMMETRY ON THE ENERGY OF VAPORIZATION OF ETHYLENE GLYCOL ETHERS AND C1–C10 ALCOHOLS
14:45-15:00
STANDARD REFERENCE MATERIALS OF THE MELTING POINT OF PURE ORGANIC SUBSTANCES IN THE RANGE FROM +40 TO +250 °C
15:00-15:15
ENERGY THEORY OF SCROLLING: A TOOL FOR LAYERED COMPOUND MORPHOLOGY FORECAST
15:15-15:30
SYNTHESIS OF AlBiZnSnGa ALLOYS AND STUDY OF THEIR PROPERTIES
15:30-15:45
STABILITY FIELD OF ENTHALPICALLY STABILIZED COMPOUNDS OF VARIABLE COMPOSITION WITH PYROCHLORE STRUCTURE IN THE Bi2O3–Fe2O3–WO3–(H2O) SYSTEM
15:45-16:00
MODELING OF ELECTRIC DOUBLE LAYER ON A METAL-ELECTROLYTE INTERFACE IN THE FRAMEWORK OF SELF-CONSISTENT FIELD THEORY
16:00-16:30
Coffee Break
S1: Fundamental issues and new challenges in chemical thermodynamics (204)
Yagofarov M.I.
Yagofarov M.I.
16:30-16:45
THERMODYNAMIC FOUNDATIONS OF BIOSYNTHETIC FUEL TECHNOLOGIES: OVERCOMING CHALLENGES IN BIOMASS HYDROGENATION AND HYDRODEOXYGENATION
16:45-17:00
COMPENSATION RELATIONSHIP IN THERMODYNAMICS OF GAS-PHASE MOLECULAR COMPLEXATION
17:00-17:15
TENSOR NETWORK APPROACH FOR MODELING THERMODYNAMIC PROPERTIES OF ADSORPTION SYSTEMS WITH MANY-BODY INTERACTIONS
S2: Thermodynamic properties and processes in solids (304)
Gelfond N.V., Zherikova K.V.
Gelfond N.V., Zherikova K.V.
16:30-16:45
REFINEMENT OF THE AgI-Ag2WO4 PHASE DIAGRAM
16:45-17:00
INFLUENCE OF TEMPERATURE AND OXYGEN PRESSURE ON THE STABILITY OF BARIUM-SUBSTITUTED NEODYMIUM MANGANITES
17:00-17:15
MANUFACTURING OF ZrO2 BASED TETRAGONAL AND CUBIC SOLID SOLUTIONS WITH LANTHANIDE OXIDES: THE EFFECT OF XEROGELS AND PRECURSOR POWDERS PROPERTIES
17:15-17:30
EXPERIMENTAL STUDY OF THE THERMODYNAMICS OF SOLID-STATE REACTIONS
17:30-17:45
THERMODYNAMIC PROPERTIES OF REE STANNATES
17:45-18:00
SYNTHESIS AND THERMODYNAMIC STUDY OF COMPOUNDS BASED ON BISMUTH, LUTETIUM AND INDIUM OXIDES
S3: Thermodynamic properties and processes in solutions and fluids (402)
Tkachev N.K., Safonova E.A.
Tkachev N.K., Safonova E.A.
16:30-16:45
HIGH-ENTROPY Li-Na-K FLUORIDE-CHLORIDE MELTS FOR MOLTEN SALT REACTORS
16:45-17:00
THERMODYNAMIC PROPERTIES OF SUBSURFACE MONOLAYERS AND STRUCTURAL ASSIGNMENTS OF BULKY AGGREGATES BASED ON DICATIONICS
17:00-17:15
PHYSICAL PROPERTIES OF Al-Ni-Co-Cu-Zr AND Al-Ni-Co-Fe-Cr HIGH-ENTROPY ALLOYS IN SOLID AND LIQUID STATES
17:15-17:30
LONG-TERM RELAXATION PROCESSES IN Ga-REM MELTS
17:30-17:45
SALTING-OUT IN AQUEOUS SOLUTIONS OF AMINO ACID IONIC LIQUIDS WITH DIFFERENT ADDITIVES
S4: Thermodynamics of heterogeneous systems, surfaces, interphase and membrane processes, and nanoscale systems (700)
Verevkin S.P.
Verevkin S.P.
16:30-16:45
SUBLIMATION THERMODYNAMICS OF SOME PHENYL-SUBSTITUTED PORPHYRINS
16:45-17:00
EFFECT OF THE MONOLAYER FORMATION ON THE pKa OF CARBOXYLIC ACIDS AT THE AIR/WATER INTERFACE WITHIN QUANTUM CHEMICAL APPROACH
S6: Thermodynamic aspects of synthesizing, analyzing and predicting the properties of novel materials (430)
Movenko D.A., Mazurin M.O.
Movenko D.A., Mazurin M.O.
16:30-16:45
MIXED ADSORPTION LAYERS OF CHITOSAN AND COLLAGEN
16:45-17:00
THE ESTIMATION OF Ni-BASED SUPERALLOYS THERMODYNAMIC CHARACTERISTICS
17:00-17:15
TOWARDS UNDERSTANDING THE IMPACT OF SURFACE MATERIAL PROPERTIES ON CONFINED IL BEHAVIOR
17:15-17:30
MODELING STRUCTURE AND PROPERTIES OF DOPED MANGANITES
18:00-20:00 Poster Session
S1: Fundamental issues and new challenges in chemical thermodynamics
1
STUDY OF THE CHEMICAL POTENTIAL CONCENTRATION DEPENDENCE FOR BINARY MIXTURES IN MOLECULAR DYNAMICS MODELS
2
IMPACT OF ORGANIC CATIONS ON THE THERMAL STABILITY OF ALBUMIN
50
DEFINITION OF METASTABLE REGIONS BELOW THE LIQUIDUS TEMPERATURE TL AND SOLIDUS TEMPERATURE TS ON A EUTECTIC PHASE DIAGRAM
S2: Thermodynamic properties and processes in solids
3
THE 3rd-GENERATION CALPHAD MODEL FOR SOLID AND LIQUID Ge AND THE BINARY Ge-Si SYSTEM
S3: Thermodynamic properties and processes in solutions and fluids
5
EXPERIMENTAL STUDY OF THE DEPENDENCE OF THERMODYNAMIC PROPERTIES OF THE (PROPANOL-1 + N-OCTANE) SYSTEM IN LIQUID, GASEOUS, AND SUPERCRITICAL STATES
6
THERMODYNAMIC MODELING AND CALCULATION OF PHASE EQUILIBRIA IN TERNARY WATER-SALT SYSTEMS CONTAINING K+, NH4+, SO42- AND/OR NO3- IONS
7
STUDY OF THE PICOLINIC ACID INHIBITING EFFECT MECHANISM ON THE ASCORBIC ACID OXIDATION
8
MONTE CARLO STUDY OF THERMODYNAMIC AND STRUCTURAL PROPERTIES OF A LENNARD-JONES FLUID AT DIFFERENT TEMPERATURES
9
EVALUATION OF IONIC LIQUIDS FOR THIOPHENE/HYDROCARBON SEPARATION
10
THERMAL STABILITY OF HYDROGEN SULFATE PROTIC IONIC LIQUIDS
11
THERMODYNAMIC PARAMETERS OF PROTOLYTIC EQUILIBRIA FOR SOME AMINO ACIDS AND DIPEPTIDES IN AQUEOUS SOLUTIONS
12
THERMODYNAMIC CHARACTERISTICS OF AMMONIUM ION SOLVATION IN N-METHYLPYRROLIDONE–WATER SOLUTIONS
13
HEAT CAPACITY OF THREE-COMPONENT SYSTEMS CONTAINING AMMONIUM IODIDE, N-METHYLPYRROLIDONE AND WATER
14
A NEW METHOD FOR RECRYSTALLIZING FLUFENAMIC ACID FROM POLYMORPH I TO POLYMORPH III
15
MOLECULAR DYNAMICS SIMULATION OF ETORICOXIB UNDER CONFINED GEOMETRY CONDITIONS OF NANOCRYSTALLINE CELLULOSE-BASED AEROGEL IN A SUPERCRITICAL CARBON DIOXIDE MEDIUM
16
STUDY OF THE CRYSTALLIZATION PROCESS OF THE ANTIVIRAL DRUG TECOVIRIMAT USING THE MOLECULAR DYNAMICS METHOD
17
STRUCTURE AND THERMODYNAMICS OF WATER-DIOXANE MIXTURES BASED ON MOLECULAR DYNAMICS SIMULATION
18
DIAGRAMS WITH DISTINGUISHABLE DEFORMATION OF RESIDUE CURVES OF ZEOTROPIC THREE-COMPONENT SYSTEMS
19
CALCULATION AND EXPERIMENTAL STUDY OF PHASE EQUILIBRIA IN BINARY AQUEOUS SYSTEMS CONTAINING MONOVALENT CATIONS AND METHANESULFONATE
20
CHANGE IN THE STRUCTURAL CHARACTERISTICS OF AEROGEL MATRICES BASED ON SiO₂ AND NCC UPON IMPREGNATION WITH MEFENAMIC ACID
22
SOLVATION THERMODYNAMICS OF ORGANIC SOLUTES IN LACTATE ESTERS
23
EXPERIMENTAL INVESTIGATION AND THERMODYNAMIC ANALYSIS OF VOLUMETRIC PROPERTIES OF THE THYMOL–L-MENTHOL SYSTEM
24
PHASE EQUILIBRIA AND THERMODYNAMIC PROPERTIES OF SOLID AND LIQUID SOLUTIONS IN THE SYSTEM (NH4)2SO4-K2SO4-H2O
26
THE INFLUENCE OF POLYMER STRUCTURE ON THERMOCHEMICAL PARAMETERS OF FORMATION MICELLES AND GELS
27
DENSITY INVESTIGATION OF AlNiCoFeCr ALLOYS IN SOLID AND LIQUID STATES
28
APPLICATION OF TEMPERATURE DEPENDENCIES OF SATURATED VAPOR PRESSURE FOR THE ANALYSIS OF PHASE DIAGRAM EVOLUTION OF A SOLVENT MIXTURE
29
THERMODYNAMIC MODELLING OF LIQUID CRYSTALLINE PHENYLBENZOATE-SOLVENT SYSTEMS
31
QUANTUM CHEMICAL MODEL OF DYE EXTRACTION USING DEEP EUTECTIC SOLVENTS
51
EXPERIMENTAL STUDY OF THE DEPENDENCE OF THERMODYNAMIC PROPERTIES OF THE WATER + PROPANOL-1 BINARY SYSTEM ON ITS COMPONENT COMPOSITION OVER A WIDE RANGE OF STATE PARAMETERS
52
SIMPLIFIED PROCEDURE FOR ANALYZING VAPOR-LIQUID EQUILIBRIUM DIAGRAMS OF MULTICOMPONENT SYSTEMS
S4: Thermodynamics of heterogeneous systems, surfaces, interphase and membrane processes, and nanoscale systems
32
PHYSICO-CHEMICAL PATTERNS OF PRECONCENTRATION OF Sm(III), La(III), Er(III) BY A COPOLYMER OF POLYVINYL ALCOHOL, FORMALDEHYDE AND UREA
33
INFLUENCE OF TEMPERATURE AND MACROMOLECULES ON PHASE TRANSITIONS IN TWO-DIMENSIONAL LIPID FILMS
34
CONSTRUCTION OF EXCESS GIBBS ENERGY DIAGRAMS FOR FOUR-COMPONENT SYSTEMS USING THE MARCHING CUBES ALGORITHM
35
THERMODYNAMIC STUDY OF VOLATILE Ru(II) AND Co(I) CYCLOPENTADIENYL DERIVATIVES
36
CAPILLARY-INDUCED SELF-COACERVATION IN ZWITTERIONIC POLYMER SOLUTIONS: A MEAN-FIELD THEORY
37
PHASE EQUILIBRIA OF THE SYSTEM NH4+, K+ || SO42−, NO3− ‒ H2O
38
DYNAMIC WETTING OF NITROCELLULOSE–BUTYL ACETATE–DIBUTYL PHTHALATE SOLUTIONS ON GLASS
39
STUDY OF THE THERMODYNAMICS OF SORPTION OF VOLATILE ORGANIC COMPOUNDS IN “IONIC LIQUID-MACROCYCLE” SYSTEMS BY INVERSE GAS CHROMATOGRAPHY
40
THERMODYNAMIC AND KINETIC PARAMETERS OF URANIUM RECOVERY FROM SULFURIC ACID SOLUTIONS USING ORGANOPHOSPHORUS EXTRACTION MIXTURES
42
THERMODYNAMIC EQUILIBRIUM GROWTH OF CO-N2 CRYSTALS IN CONDITIONS OF THE INTERSTELLAR MEDIUM
43
MOLECULAR SIMULATION AND THERMOMECHANICAL PREDICTION OF BRINE-VAPOR TENSION AT RESERVOIR CONDITIONS
44
THERMODYNAMIC MODELING OF HIGH-TEMPERATURE OXIDATION OF AlxCoCryNiNbz HIGH-ENTROPY ALLOYS
45
AGGREGATION BEHAVIOR OF AQUEOUS SOLUTIONS OF ALKYLIMIDAZOLIUM AMINO ACID IONIC LIQUIDS: EFFECTS OF "NATURAL" ADDITIVES
46
APPLICATION OF ADSORPTION THEORIES TO DESCRIBE CEFOPERAZONE PRECONCENTRATION USING AMINATED SILICA
S5: New approaches, methods and goals in thermodynamic modeling. Thermodynamic databases
47
METHOD FOR DETERMINING INFORMATIVE PARAMETERS IN NEURAL NETWORK MODELING OF CHEMICAL KINETICS
49
EVALUATION OF THERMODYNAMIC PROPERTIES OF PALLADIUM AND NEODYMIUM INTERMETALLIC COMPOUNDS
Wednesday, July 1
Plenary Lectures (700)
Gavrichev K.S., Tsvetkov D.S.
Gavrichev K.S., Tsvetkov D.S.
09:00-09:40
MULTICOMPONENT EQUIATOMIC SOLID SOLUTIONS
09:40-10:20
FEATURES OF GIBBS EQUATION (ΔG = ΔH – TΔS) APPLICATION TO THERMODYNAMICS OF SOLVATION, VAPORIZATION, AND COMPLEX FORMATION IN SOLUTION AND GAS PHASES
10:20-11:00
THERMODYNAMIC INVESTIGATION OF NEW ORGANIC AND POLYMERIC MATERIALS
11:00-12:00
Lunch Break
12:00-20:30
Cultural Program
Thursday, July 2
Plenary Lectures (700)
Verevkin S.P., Budkov Yu.A.
Verevkin S.P., Budkov Yu.A.
09:00-09:40
QUANTIFICATION OF DISPERSION INTERACTIONS BY USING THERMOCHEMICAL METHODS
09:40-10:20
THERMODYNAMICS OF COMPOSITIONALLY COMPLEX (“HIGH-ENTROPY”) OXIDES
10:20-11:00
BEYOND POINT-LIKE CHARGE MODEL: A SELF-CONSISTENT THEORY FOR ELECTROLYTE CONDUCTIVITY
11:00-11:40
HEXAALUMINATES WITH MAGNETOPLUMBITE STRUCTURE FOR ADVANCED THERMAL BARRIER COATINGS: THERMODYNAMIC AND THERMOPHYSICAL PROPERTIES
11:40-11:55
Анализаторы удельной поверхности и пористости IMC ProSurf и термоанализаторы Lumetrix: возможности и приложения
11:55-12:25
Coffee Break
S2: Thermodynamic properties and processes in solids (304)
Gorbatchuk V.V., Zuev A.Yu.
Gorbatchuk V.V., Zuev A.Yu.
12:25-12:55
THERMODYNAMICS OF DRUG POLYMORPHISM: PROBLEMS AND SOLUTIONS
12:55-13:10
THE POSSIBILITY OF THE EXISTENCE OF MESOPHASES FOR SECOND-GENERATION ANTICOAGULANT RODENTICIDES
13:10-13:25
ON THE MECHANISM OF MATERIAL CONSOLIDATION DURING SPARK PLASMA SINTERING
13:25-13:40
P,T-DIAGRAMS FOR DOUBLE MANGANITES RBaMn2O6, R = Sm, Nd, Pr, La
S4: Thermodynamics of heterogeneous systems, surfaces, interphase and membrane processes, and nanoscale systems (700)
Zherikova K.V., Cherepanov V.A.
Zherikova K.V., Cherepanov V.A.
12:25-12:55
STRUCTURE-PROPERTY RELATIONSHIPS AS A PRIMARY TOOL FOR ASSESSING THE CVD PRECURSOR PROPERTIES
12:55-13:10
THERMODYNAMIC STUDY OF MIXED LIGAND COBALT Β-DIKETONATE COMPLEXES AND THEIR IMPLICATIONS FOR Co-OXIDE THIN FILM DEPOSITION
13:10-13:25
THERMODYNAMICS OF SUBLIMATION OF INDOLINE BASED SPIROPYRANS WITH DIFFERENT POSITIONS OF THE METHOXY GROUP
13:25-13:40
DESCRIPTION OF EQUILIBRIUM LIQUID INTERFACES IN NONIONIC FLUIDS BY MULTILAYER QUASICHEMICAL APPROACH
S5: New approaches, methods and goals in thermodynamic modeling. Thermodynamic databases (430)
Vostrikov S.V., Sereda V.V.
Vostrikov S.V., Sereda V.V.
12:25-12:40
NEW APPROACH TO THE THERMODYNAMIC ANALYSIS OF POLYMORPHIC SYSTEMS
12:40-12:55
MODELING OF PHASE EQUILIBRIA IN THE SrO-La2O3-Fe SYSTEM
12:55-13:10
THE ‘CENTERPIECE’ APPROACH: A HIGH-THROUGHPUT THERMODYNAMIC TOOL FOR LOHC AND BIOSYNTHETIC FUEL TECHNOLOGIES
13:10-13:25
THERMODYNAMIC PREDICTION OF THE COMPOSITION OF POLYCHLORINATED BIPHENYL NITRATION PRODUCTS AS A FUNCTION OF THE NITRATING MIXTURE EXCESS
13:25-13:40
THERMODYNAMIC MODELING OF MULTICOMPONENT LITHIUM INDUSTRIAL BRINES
S8: Special session on the development of measurement methods and experimental setups in thermal analysis and calorimetry (204)
Korchagina E.N., Tsvetkov D.S.
Korchagina E.N., Tsvetkov D.S.
12:25-12:55
DEVELOPMENT OF METROLOGICAL ASSURANCE IN THE FIELD OF THERMAL ANALYSIS AND CALORIMETRY
12:55-13:10
ADVANTAGES OF FAST SCANNING CALORIMETRY IN STUDYING THE THERMODYNAMICS OF PHASE TRANSITIONS IN PHARMACEUTICALS
13:10-13:25
RESEARCH AND DEVELOPMENT OF PHASE TRANSITION TEMPERATURE REFERENCE MATERIAL FOR MEASURING INSTRUMENTS IMPLEMENTING THERMAL ANALYSIS METHODS METROLOGICAL SUPPORT
13:25-13:40
EDUCATIONAL HEAT FLUX DIFFERENTIAL SCANNING CALORIMETER "KOLIBRI-1.1"
13:40-14:45
Lunch Break
S3: Thermodynamic properties and processes in solutions and fluids (304)
Sedov I.A., Mitchenko S.A.
Sedov I.A., Mitchenko S.A.
14:45-15:00
RELATIONSHIPS BETWEEN THE STRUCTURE, NANOSTRUCTURE, AND PROPERTIES OF IONIC LIQUIDS
15:00-15:15
CALORIMETRIC STUDY OF THE OXOTRANSFER PROCESS INVOLVING TRIPHENYLPHOSPHINE AND A MOLYBDENUM-CONTAINING ANALOGUE OF THE ENZYME ACTIVE SITE
15:15-15:30
A COLORIMETRIC METHOD FOR CHARACTERIZING FAST EXTRACTION PROCESSES IN NADES
15:30-15:45
NUCLEOPHILICITY INDICES AS DESCRIPTORS FOR BOTH THERMODYNAMIC FEASIBILITY AND REACTIVITY OF C-ELECTROPHILES OXIDATIVE ADDITION TO Pt(II) SPECIES
15:45-16:00
THERMODYNAMIC FEASIBILITY OF REDUCING ORGANOPLATINUM(IV) SPECIES BY IODIDE IONS AS A KEY STEP FOR CROSS-ELECTROPHILE COUPLING
S4: Thermodynamics of heterogeneous systems, surfaces, interphase and membrane processes, and nanoscale systems (700)
Titova S.G., Kuraeva Yu.G.
Titova S.G., Kuraeva Yu.G.
14:45-15:00
THERMODYNAMIC MODELING OF NICKEL-BASED SELF-FLUXING MATERIALS
15:00-15:15
THERMODYNAMICS OF PHASE TRANSITIONS OF METAL β-DIKETONATES AS A BASIS FOR CONTROLLING THEIR MASS TRANSFER IN MOCVD PROCESSES
15:15-15:30
THERMODYNAMICS OF THE ADSORPTION OF VOLATILE ORGANIC COMPOUNDS BY CYCLODEXTRIN-CONTAINING PHASES ACCORDING TO INVERSE GAS CHROMATOGRAPHY DATA
15:30-15:45
FEATURES OF VAPORIZATION AND THERMODYNAMIC PROPERTIES OF SOME LOW-VOLATILE AMINO ACIDS
15:45-16:00
MOLECULAR MODELING OF INTERFACIAL TENSION AND CONTACT ANGLES AT RESERVOIR CONDITIONS
S5: New approaches, methods and goals in thermodynamic modeling. Thermodynamic databases (430)
Khvan A.V., Sereda V.V.
Khvan A.V., Sereda V.V.
14:45-15:00
MODELING OF THE OXIDE MELT STRUCTURE: GLASS TRANSITION VS CRYSTALLIZATION
15:00-15:15
SOFTWARE DESIGN FOR THERMODYNAMIC MODELING AND PROPERTY CALCULATION
15:15-15:30
DEVELOPMENT OF A THERMODYNAMIC DATABASE FOR CORROSION MODELING IN MOLTEN SALT REACTORS
15:30-15:45
CHEMICAL DATABASES AS A PROMISING TOOL FOR OBTAINING THE VAPORIZATION CHARACTERISTICS OF ORGANIC COMPOUNDS
S6: Thermodynamic aspects of synthesizing, analyzing and predicting the properties of novel materials (204)
Pestov S.M., Sidorov V.E.
Pestov S.M., Sidorov V.E.
14:45-15:00
LIQUID CRYSTALS. PROPERTY ESTIMATION
15:00-15:15
DYNAMIC SURFACE PROPERTIES OF SILK FIBROIN FIBRILS
15:15-15:30
CRYSTALLIZATION BEHAVIOR OF Fe-Ni-B-Nb AND Fe-Ni-B-Si-Nb AMORPHOUS ALLOYS WITH DIFFERENT COMPONENT RATIOS
15:30-15:45
PHYSICAL PROPERTIES OF Fe-Ni-B-Si-Nb ALLOYS IN CRYSTALLINE, LIQUID AND AMORPHOUS STATES
15:45-16:00
THERMODYNAMIC OPTIMIZATION OF THE UN-PuN-Fe SYSTEM
16:00-16:30
Coffee Break
S2: Thermodynamic properties and processes in solids (304)
Kovalenko L.Yu., Mazurin M.O.
Kovalenko L.Yu., Mazurin M.O.
16:30-16:45
THERMOLYSIS OF COMPOSITES BASED ON POLYANTIMONIC ACID CONTAINING Nb5+ IONS
16:45-17:00
LOW-TEMPERATURE HEAT CAPACITY AND THERMODYNAMIC FUNCTIONS OF A Gd2(MoO4)3 SINGLE CRYSTAL
17:00-17:15
PHASE EQUILIBRIA AND CHEMICAL PROCESSES IN SYSTEMS ZnO-SiO2-NiO AND ZnO-SiO2-MnO
17:15-17:30
PHASE RELATIONSHIPS IN THE QUASI-TERNARY SYSTEM OF ORTHOPHOSPHATES OF La, Gd, AND Y at T = 230 °C and P ≈ 10 atm
S4: Thermodynamics of heterogeneous systems, surfaces, interphase and membrane processes, and nanoscale systems (700)
Tsvetkov D.S., Terziyan T.V.
Tsvetkov D.S., Terziyan T.V.
16:30-16:45
STUDY OF ELECTROLYTE PARTITIONING BETWEEN PHASES OF DIFFERING POLARITY: EXPERIMENTAL AND COMPUTATIONAL APPROACHES
16:45-17:00
THERMODYNAMIC CHARACTERISTICS OF THE INTERACTION OF FLUORAPATITE WITH LACTIC ACID
17:00-17:15
CALORIMETRIC SCREENING OF INTERFACIAL INTERACTIONS IN GLASS POLYMER COMPOSITES
S6: Thermodynamic aspects of synthesizing, analyzing and predicting the properties of novel materials (204)
Zuev A.Yu., Cherepanov V.A.
Zuev A.Yu., Cherepanov V.A.
16:45-17:00
DETERMINATION OF VAPOR PRESSURE AND ENTHALPY OF VAPORIZATION OF NEOPENTYL GLYCOL ESTERS OF FATTY CARBOXYLIC ACIDS
17:00-17:15
GLYCOL ETHERS AS PROMISING BATTERY ELECTROLYTES
17:30-19:30 Poster Session
S2: Thermodynamic properties and processes in solids
1
HEAT CAPACITY MEASUREMENTS OF RbAg4I5 AND Rb2AgI3
2
THERMAL STABILITY OF PrMnO3 AND PrMn2O5 PEROVSKITES IN REDUCING ATMOSPHERE
3
STUDY OF THE KINETICS OF PHASE TRANSFORMATION OF γ-Al2O3 NANOPARTICLES INTO CORUNDUM
4
A NEW APPROACH TO OBTAINING A METASTABLE POLYMORPH OF IMATINIB MESYLATE
5
LOW-TEMPERATURE THERMODYNAMIC PROPERTIES OF SINGLE-CRYSTAL Na6Mo11O36
6
SINGLE-CRYSTAL NaCsMo3O10: GROWTH, PHASE STABILITY, THERMODYNAMIC PROPERTIES
8
INVESTIGATION OF THE HEAT CAPACITY OF Y3-xEuxSc2Ga3O12 (0 < x < 3) SOLID SOLUTIONS
9
EFFECT OF INDIUM SUBSTITUTION ON THE STRUCTURE OF SrFeO3-δ AND ITS TRANSPORT PROPERTIES
10
THERMODYNAMIC PROPERTIES OF TERNARY CESIUM LEAD HALIDES
11
THERMODYNAMIC AND ELECTROPHYSICAL CHARACTERISTICS OF THE Nd₂O₃–MgO–NiO–Mn₂O₃ SYSTEM
12
CALORIMETRIC AND ELECTROPHYSICAL STUDIES OF LANTHANUM–POTASSIUM CUPRATE–VANADATE–MANGANITE
13
ACTIVITY COEFFICIENTS OF NEODYMIUM IN Fe-Nd ALLOY
14
SILVER CONVERSION DURING PYROMETALLURGICAL PROCESSING OF MINERAL MATERIALS
15
PHASE EQUILIBRIA, STRUCTURE, AND PROPERTIES OF COMPLEX OXIDES IN THE Eu1–xSrxCo1–yFeyO3–δ SYSTEM AT 1373 K IN AIR
16
A CALORIMETRIC STUDY OF SELECTED ACTIVE PHARMACEUTICAL INGREDIENTS
17
A CALORIMETRIC STUDY OF PYRIDINE-FUNCTIONALIZED VINYLBENZYL CHLORIDE AND DIVINYLBENZENE COPOLYMER
18
HEAT CAPACITY AND THERMODYNAMIC FUNCTIONS OF SINGLE CRYSTAL LiRbMo3O10 FROM 0 K TO THE MELTING POINT
19
DSC INVESTIGATION OF THE HEAT CAPACITY OF K2SO4 – ZnSO4 SULPHATE GLASSES
20
THERMODYNAMIC ANALYSIS OF THE CATALYTIC ACTIVITY OF ALUMINUM OXIDE (Al₂O₃) AND PYRITE (FeS₂)
21
THERMOPHYSICAL AND ELECTROPHYSICAL PROPERTIES OF ELECTRODE COKE
22
THE EFFECT OF pH ON THE FORMATION OF NANOCRYSTALLINE PHASES IN THE Bi2O3-P2O5 SYSTEM
23
SYNTHESIS, FORMATION ENTHALPIES AND LATTICE ENTHALPIES OF BISMUTH NIOBATES DOPED WITH YTTERBIUM
24
THERMODYNAMIC PROPERTIES OF COMPOSITIONALLY COMPLEX (HIGH-ENTROPY) OXIDES WITH PEROVSKITE AND ROCK-SALT STRUCTURES
25
CRYSTAL STRUCTURE AND THERMODYNAMIC STABILITY OF PHASES IN THE (La,Pr,Nd)2(Ni,Cu)O4
26
THERMOCHEMICAL PROPERTIES OF SOME METHANESULFONATES OF TRANSITION METALS
27
HEAT CAPACITIES AND FORMATION FUNCTIONS OF SOME 1,5-DIAZABICYCLO[3.1.0]HEXANES
28
EFFECT OF WATER AND HIGH PRESSURE ON VALYL-ALANINE AND ALANINE-VALYL DIPEPTIDES CYCLIZATION IN SOLID STATE
29
STRUCTURAL PHASE TRANSITIONS AND THERMODYNAMIC STABILITY OF THE RUDDLESDEN-POPPER NICKELATE La3PrNi3O10-δ
30
THERMODYNAMIC PROPERTIES OF THE CeO2-B2O3 SYSTEM
S3: Thermodynamic properties and processes in solutions and fluids
31
DETERMINATION OF THE COMPLEXATION CONSTANTS OF COPPER AND ZINC WITH EDTA AT 298.15 AND 288.15 K
S6: Thermodynamic aspects of synthesizing, analyzing and predicting the properties of novel materials
32
THERMODYNAMIC FUNCTIONS OF SOME ALKALINE EARTH METAL BOROSILICATES
33
THERMODYNAMIC INVESTIGATION OF THE Ag7BIVSe5I COMPOUNDS AND Ag8-xBIVSe6-xIx (BIV-Ge, Sn) SOLID SOLUTIONS BY THE EMF METHOD WITH SOLID ELECTROLYTE
34
THERMODYNAMIC STUDY OF LAYERED MANGANESE-BISMUTH AND GERMANIUM-ANTIMONY TELLURIDES
35
ANALYSIS OF THE DISTRIBUTION OF URANIUM RADIONUCLIDES IN THE CONDITIONS OF HEATING REACTOR GRAPHITE IN THE AIR ATMOSPHERE
36
THERMODYNAMIC PROPERTIES AND THERMAL EXPANSION OF “HEAVY” RARE-EARTH DITITANATES AT HIGH TEMPERATURES
37
HEAT CAPACITY AND THERMODYNAMIC PROPERTIES OF COMPLEX OXIDES WITH β-PYROCHLORE STRUCTURE
38
EFFECT OF POLYPHOSPHORIC ACID AND ZINC PHOSPHATE ON THE THERMO-OXIDATIVE STABILITY OF GRAPHITE FOIL
39
STUDY OF THE TEMPERATURE DEPENDENCES OF HEAT CAPACITY OF SOLID SOLUTIONS BASED ON HEXAGONAL STRONTIUM FERRITES SUBSTITUTED WITH GALLIUM
40
INVESTIGATION OF LUMINESCENT PROPERTIES OF NANOPARTICLES (La, Gd, Y)PO4:Eu3+
41
CHARACTERIZATION OF DOMESTIC MATERIALS FOR 3D PRINTING BY THERMAL AND SPECTRAL ANALYSIS METHODS
42
FEATURES OF PRODUCING GELS BASED ON CYCLIC DIPEPTIDES
43
SYNTHESIS AND CHARACTERIZATION OF ZnO/g-C3N4 COMPOSITES FOR PHOTOCATALYTIC APPLICATIONS
44
HYDROGELS BASED ON THE Fmoc-FF DIPEPTIDE WITH ACTIVE PHARMACEUTICAL INGREDIENTS
45
THERMODYNAMIC STUDY OF THE BiS1-xSexI AND Bi19S27(1-x)Se27xI SOLID SOLUTIONS
46
Cu8SiS6–Ag8SiSe6 SYSTEM: PHASE EQUILIBRIA AND HIGH ENTROPY ALLOYS
47
THERMODYNAMIC MODELING OF PHASE EQUILIBRIA IN Mg-Ca-Li-BASED SYSTEMS
48
PHASE DIAGRAM OF THE Fe–Si–Al–Ni SYSTEM
49
PHASE STABILITY OF A2B2O7-TYPE ULTRAHIGH-ENTROPY COMPOUNDS
50
CATALYTIC PROPERTIES OF Ni-Mo COATINGS IN ALKALINE ELECTROLYSIS OF WATER
51
OXIDATION BEHAVIOUR OF MoSi2 POWDER AT 800–1100 °C
52
EFFECT OF CATION COMPOSITION ON THE STABILITY AND PROPERTIES OF FLUORITE-TYPE HIGH-ENTROPY FLUORIDES
S8: Special session on the development of measurement methods and experimental setups in thermal analysis and calorimetry
53
MEASUREMENT UNCERTAINTY IN ISOTHERMAL TITRATION CALORIMETRY
Friday, July 3
Plenary Lectures (700)
Khvan A.V., Tsvetkov D.S.
Khvan A.V., Tsvetkov D.S.
09:00-09:40
PECULIARITIES OF PHASE EQUILIBRIA IN OXIDE SYSTEMS BASED ON RARE EARTH, ALKALINE EARTH AND 3d (Fe, Co) METALS
09:40-10:20
THERMODYNAMIC TUNING AND DATABASE ON NEW ENERGY MATERIALS
10:20-11:00
IMPORTANCE OF DEFECT CHEMISTRY FOR UNDERSTANDING THE THERMODYNAMIC PROPERTIES OF OXIDES WITH AND WITHOUT OXYGEN EXCHANGE
11:00-11:30
Coffee Break
S5: New approaches, methods and goals in thermodynamic modeling. Thermodynamic databases (304)
Potapov A.M., Samarov A.A.
Potapov A.M., Samarov A.A.
11:30-11:45
THE FORMATION ENTHALPIES OF INTERMETALLIC COMPOUNDS IN SYSTEMS (Ni,Pd,Pt)–(Al,In,Sn) BY pySIPFENN SOFTWARE TOOL
11:45-12:00
CHEMICAL SEPARATION OF AMERICIUM AND CURIUM IN MOLTEN SALTS. THERMODYNAMIC MODELING
12:15-12:30
VERIFICATION OF THE ENTHALPIES OF FORMATION OF ORGANIC COMPOUNDS: A REFINEMENT STRATEGY BASED ON QUANTUM CHEMICAL CALCULATIONS
S7: Round table discussion «Chemical thermodynamics in higher education» (700)
Zuev A.Yu.
Zuev A.Yu.
11:30-12:00
Round table discussion «Chemical thermodynamics in higher education»
S8: Special session on the development of measurement methods and experimental setups in thermal analysis and calorimetry (204)
Tsvetkov D.S.
Tsvetkov D.S.
11:30-11:45
FAST SCANNING CALORIMETRY AS A TOOL FOR THERMODYNAMIC MEASUREMENTS – ADVANTAGES AND LIMITATIONS
11:45-12:00
THERMOELECTRIC MODULES FOR CRYOSCOPIC ANALYSIS: EMPLOYING PELTIER ELEMENTS AS BOTH HEAT FLUX SENSORS AND THERMAL ACTUATORS
12:30-13:30
Young Scientist Award ceremony, Closing ceremony