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2016 year, number 2

1.
Structural Features of New Cathode Ba0.5Sr0.5Co0.8 - xFe0.2MoxO3 - d Materials for Medium-Temperature Solid Oxide Fuel Elements

E. V. ARTIMONOVA1, O. A. SAVINSKAYA1, A. P. NEMUDRY1,2
1Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Ul. Kutateladze 18, Novosibirsk 630128 (Russia)
2Novosibirsk State University, Ul. Pirogova 2, Novosibirsk 630090 (Russia)
Keywords: нестехиометрические перовскиты, катодные материалы, твердооксидные топливные элементы, nonstoichiometric perovskites, cathode materials, solid oxide fuel elements

Abstract >>
Oxides of the composition Ba0.5Sr0.5Co0.8 - x Mo x Fe0.2O3 - d (BSCFM) (0 < x < 0.15), obtained by partial substitution of cobalt in BSCF structure by multicharged molybdenum cations, were studied. It was shown that doping by Mo+6 cations ( x > 0.06) leads to the formation of the heterophase system cubic perovskite-double perovskite. With the help of diffraction in situ and ex situ methods, the processes involved in the interaction of cathode BSCFM5 material with the electrolyte CGO material were studied.



2.
Structural Response to the Saturation of Hexagonal Cobaltate YBaCo4O7 + x Crystals with Oxygen

V. YU. KOMAROV1,2, N. V. PODBEREZSKAYA1, M. YU. KAMENEVA1, L. P. KOZEEVA1, A. N. LAVROV1
1Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Pr. Akademika Lavrentyeva 3, Novosibirsk 630090 (Russia)
2Novosibirsk State University, Ul. Pirogova 2, Novosibirsk 630090 (Russia)
Keywords: кислородный обмен, кобальтаты, четырехъядерные кобальт-кислородные фрагменты, слоистые структуры, oxygen exchange, cobaltates, tetranuclear cobalt-oxygen fragments, layered structures

Abstract >>
Relying on the analysis of experimental data on the structural changes in hexagonal cobaltate YBaCo4O7 under saturation with oxygen up to the composition of YBaCo4O8 and YBaCo4O8.4, significant atomic groups in Co sublattice were marked out for generalized description of the existing distortions. The sequence of structural transformations accompanying oxygen insertion is clearly presented; the maximal saturation degree that is possible within the framework of this model is estimated.



3.
Preparation, Structure and Characteristics of Solid Solutions La1 - xBixMn1 - yMyO3 (M = Fe, Ni, Cu)

O. S. KAYMIEVA1, V. V. DANILOVA1, M. V. MOROZOVA1, E. S. BUYANOVA1, S. A. PETROVA2
1Ural Federal University named after the first President of Russia B. N. Yeltsin, Ul. Kyubysheva 48, Yekaterinburg 620026 (Russia)
2Institute of Metallurgy, Ural Branch of the Russian Academy of Sciences, Ul. Amundsena 101, Yekaterinburg 620016 (Russia)
Keywords: перовскитоподобные материалы, манганит лантана, синтез, высокотемпературные свойства, perovskite-like materials, lanthanum manganite, synthesis, high-temperature properties

Abstract >>
Perovskite-like compounds with the general formula La1 - x Bi x Mn1 - y M y O3 +  (M = Fe, Ni, Cu; x = 0.1-0.3; у = 0.0-0.2,  х =  у = 0.1) were obtained by solid-phase synthesis and characterized by means of XPA, TG and dilatometry. For solid solutions with rhombohedral structure, the existence of two regions in the linear dependence of unit cell volume on temperature was explained by thermal expansion of samples.



4.
Cermet Oxygen Membranes with Controllable Nanoarchitecture for Novel Coal Power Engineering

V. V. ZYRYANOV, A. A. MATVIENKO, N. V. BULINA, A. S. ULIKHIN, M. P. POPOV
Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Ul. Kutateladze 18, Novosibirsk 630128 (Russia)
Keywords: нанокомпозиты, керметы, кислородные мембраны, деградация, чистая угольная энергетика, распределенная мультигенерация, nanocomposites, cermets, oxygen membranes, degradation, clean coal power engineering, distributed multigeneration

Abstract >>
Results of the synthesis of multilevel nanometre-sized cermets with interpenetrative structure based on -Bi2O3/Ag, for selective medium-temperature oxygen membranes needed for novel clean coal-based power engineering are presented. In particular, the size of crystallites of the components was decreased to 10-20 nm; the composition of the ceramics was improved by adding Pr; silver is doped heterogeneously by fluorite, with the conservation of compatibility and with increased fraction of silver in cermet with interpenetrative structure; nanocermets are modified with Pd. In spite of the significant improvement of the composite characteristics in comparison with known cermet 60Bi0.75Er0.25O1.5/40Ag, the problem of making a real material for membranes has not been solved. Membrane degradation in all positions at T ~ 600 °C comes to the forefront. Along with optimization of the composition and method to obtain membrane material, it is proposed to decrease the working temperature to T ~ 500 °C.



5.
Analysis of the Effect of Various Defects on Diffraction from Aluminium Hydroxides and Structural Features of Aluminium Oxides Obtained from Different Pseudoboehmites

K. I. SHEFER1,2, E. M. MOROZ1, S. V. TSYBULYA1,2
1Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Pr. Akademika Lavrentyeva 5, Novosibirsk 630090 (Russia)
2Novosibirsk State University, Ul. Pirogova 2, Novosibirsk 630090 (Russia)
Keywords: гидроксиды и оксиды алюминия, рентгенографические методы исследования, структура, наноматериалы, aluminium hydroxides and oxides, X-ray analysis methods, structure, nanomaterials

Abstract >>
Aluminium oxide systems were studied using a set of X-ray diffraction methods: Rietveld method, modelling of diffraction patterns of one-dimensionally disordered materials, modelling of fine dispersed substances, method of the radial distribution of electron density. Modelling of diffraction patterns of aluminium hydroxide and the curves of the radial distribution of electron density of oxides and hydroxides was carried out. Using the data of previous modelling, the real structure of aluminium hydroxides with different physicochemical properties and oxides obtained from them was studied. The results may be used in the analysis of any real object containing aluminium oxide systems, first of all nanometre-sized ones.



6.
Features of the Crystallization of Nanometre-Sized α-Aluminium Oxide from Aluminium Hydroxide Gels with Seeding Introduced

G. R. KARAGEDOV, A. L. MYZ, O. V. KICHAY
Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Ul. Kutateladze 18, Novosibirsk 630128 (Russia)
Keywords: оксид алюминия, нанопорошок, синтез, aluminium oxide, nanopowder, synthesis

Abstract >>
Nanopowders of α-Al2O3 were synthesized through crystallization of aluminium hydroxide gel with nanoparticles introduced into it as seedings. Depending on the gel crystallization conditions, the powder consists either of weakly aggregated spherical particles or of polygons with irregular shapes. It was established that particle shape is determined by the composition of the gas phase during crystallization, in particular by water vapour pressure. The temperature at which the gel is completely crystallized into the α-phase depends on the content of micro-impurities in the solution from which the gel is formed. Under optimal synthesis conditions, α-Al2O3 nanopowders with particle size about 100 nm are reproducibly obtained. The powders exhibit good moldability and sintering ability to form almost pore-free ceramics at 1300 oC.



7.
Determination of the Local Structure of Nanomaterials. A Comparison between EXAFS and PDF Methods

E. M. MOROZ
Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Pr. Akademika Lavrentyeva 5, Novosibirsk 630090 (Russia)
Keywords: локальная структура, радиальное распределение атомов, EXAFS, PDF-методы, local structure, radial distribution of atoms, EXAFS, PDF methods

Abstract >>
Comparative analysis of two methods EXAFS and PDF to study the phase composition and local structure (interatomic distances and coordination numbers) of materials including nanomaterials was carried out. The shortcomings and advantages of the methods are considered.



8.
Investigation of the Structural Features of Boron Nitride after Mechanical Activation in Attritor and Planetary Mill Followed by Agglomeration at High Pressure and Temperature

V. T. SENYUT1, S. A. KOVALEVA1, T. V. GAMZELEVA2, T. F. GRIGORIEVA3
1Joint Institute of Mechanical Engineering, National Academy of Sciences of Belarus, Ul. Akademicheskaya 12, Minsk 220072 (Belarus)
2Powder Metallurgy Institute, National Academy of Sciences of Belarus, Ul. Platonova 41, Minsk 220005 (Belarus)
3Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Ul. Kutateladze 18, Novosibirsk 630128 (Russia)
Keywords: гексагональный нитрид бора, механоактивация, аттритор, планетарная шаровая мельница, удельная поверхность, химическая очистка, hexagonal boron nitride, mechanical activation, attritor, planetary ball mill, specific surface, chemical purification

Abstract >>
Effect of mechanical activation (MA) of hexagonal boron nitride ( h BN) powder with different intensities in attritor and in a planetary ball mill (PBM) on the structure and phase composition of materials based on this compound was studied. Mechanical activation of h BN powder was carried out in order to decrease the parameters of synthesis of cubic boron nitride ( c BN) due to the formation of nanostructure in h BN. The stoichiometry of h BN is observed to decrease during MA due to partial decomposition. Mechanical treatment of h BN powders in PBM proceeds more intensively and leads to the formation of particles with crystallite size 5-10 times smaller than the size of crystallites formed during treatment in attritor. The specific surface increases by a factor of 3-6. After agglomeration of powders after MA at a pressure above 7 GPa, the phase composition of the resulting material is independent of the intensity of MA and is characterized by the presence of the cubic phase of BN alone.



9.
Studies of Supported Ultrafine Pt Particles by Means of Chemisorption and Thermal Desorption

O. A. YAKOVINA, A. S. LISITSYN
Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Pr. Akademika Lavrentyeva 5, Novosibirsk 630090 (Russia)
Keywords: Pt/γ-AlO, Pt/SiO, наночастицы, нанокластеры, хемосорбция, ТПД, nanoparticles, nanoclusters, chemisorption, TPD

Abstract >>
Results of chemisorption measurements and experiments on hydrogen thermodesorption carried out with Pt/γ-Al2O3 samples with Pt nanoclusters (size <1 nm) are presented. The reasons of the reversible changes of adsorption properties were studied. The results are compared with the data for platinum nanoparticles (with the size mainly 2-3 nm) deposited on the “inert” oxide (SiO2). The high sensitivity of chemisorption methods and temperature-programmable desorption to the changes in the state of supported metal clusters during thermal treatment of the samples in reducing and neutral media was demonstrated. It was shown that hydrogen adsorption on ultrafine systems is activated, and the adsorption capacity of samples determined from oxygen-hydrogen titration may decrease during multiple titration procedures. A strong effect of Н2О on hydrogen thermodesorption from Pt/γ-Al2O3 samples reduced at high temperature was observed. The obtained results are interpreted taking into account the structural changes of nanoclusters in the low-temperature region and the formation of oxygen vacancies at the metal - support interface under the action of H2 at high temperature.



10.
Nanodispersing Modification of 110G13L Steel

V. A. POLUBOYAROV1, N. Z. LYAKHOV1, Z. A. KOROTAEVA1, A. A. ZHDANOK1, V. A. KUZNETSOV2
1Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Ul. Kutateladze 18, Novosibirsk 630128 (Russia)
2Sibelektroterm Ltd. Company, Ul. Petukhova 51, Novosibirsk 630088 (Russia)
Keywords: величина зерна, временное сопротивление разрыву, дисперсное модифицирование, карбиды вольфрама, титана и бора, медь, модификатор, относительное удлинение, СВС, сталь 110Г13Л, ферротитан, grain size, point of maximal load, dispersing modification, tungsten titanium and boron carbides, copper, modifying agent, relative elongation, SHS, 110G13L steel, ferrotitanium

Abstract >>
Intra-mold modification of 110G13L steel was carried out using various dispersed modifying agents containing boron, tungsten, titanium carbides, ferrotitanium, and carbon as the active phase. To improve wettability, modifying agents were treated preliminarily with copper powder in AGO-3 planetary centrifugal mill. It was discovered that the microstructure of the formed steel samples is composed of austenite and carbides released inside the grains and along their boundaries. A significant increase in the point of maximal load by 14.5, 18.0 and 9.0 % was demonstrated by the steel samples treated with the modifying agents containing boron carbide (concentration of the active phase: 0.056 %), a mixture of tungsten and titanium carbides (0.033 %) and titanium carbide (0.083 %), respectively. In addition, the use of a mixture of tungsten and titanium carbides allowed us to increase relative elongation by 40 %. The use of the modifying agents containing boron carbide and a mixture of tungsten and titanium carbides promotes uniform distribution of carbides and a substantial decrease in grain size; the grain size (according to the State Standard GOST 5639) corresponds to two points (the actual grain diameter is 0.387-0.694 and 0.338-0.581 mm, respectively). The grain size in the reference sample is more than three points (the actual grain diameter is 2.325-3.168 mm). The grain size in other modified steel samples corresponds to three points and more.



11.
Mechanochemical Modification of the Reactivity of Natural Zeolites

O. N. DABIZHA1, T. V. DERBENEVA1, A. N. KHATKOVA1, R. A. FILENKO2, T. P. PATEYUK1
1Transbaikalian State University, Ul. Aleksandro-Zavodskaya 30, Chita 672039 (Russia)
2Institute of Natural Resources, Ecology and Cryology, Siberian Branch of the Russian Academy of Sciences, Ul. Nedorezova 16a, Chita 672014 (Russia)
Keywords: реакционная способность, природные цеолиты, механоактивация, кинетические параметры, термодинамические потенциалы, степень разупорядочения, гидратация, карбонизация, reactivity, natural zeolites, mechanical activation, kinetic parameters, thermodynamic potentials, disordering degree, hydration, carbonization

Abstract >>
Structural-chemical changes in high-silica zeolite-containing rocks from the Kholinskoye and Shivyrtuy deposits (Russia) under the action of mechanical activation in a laboratory vibrogrinder were studied by means of differential scanning calorimetry, thermogravimetry, densimetry, air permeability measurement, atomic emission spectroscopy with inductively coupled plasma, infrared spectroscopy, X-ray phase analysis. The kinetic parameters of dehydration of initial and mechanically activated natural zeolites were calculated (apparent activation energy, pre-exponential factor), as well as their thermodynamic potentials (enthalpy of formation, entropy and Gibbs energy), and disordering degree. The degree of carbonization of the samples under study was estimated with the help of the analysis of infrared spectra and thermogravigrams. It was demonstrated that the change of the reactivity of natural zeolites as a result of mechanochemical treatment is determined by the phase composition off initial samples.



12.
Synthesis and Compaction of Nickel Boride Ni3B by Means of Electric Spark Agglomeration

A. V. UKHINA1, D. V. DUDINA1,2, M. A. KORCHAGIN1,3, YU. G. MATEYSHINA1, N. V. BULINA1, A. G. ANISIMOV2, V. I. MALI2, I. S. BATRAEV2
1Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Ul. Kutateladze 18, Novosibirsk 630128 (Russia)
2Lavrentyev Institute of Hydrodynamics, Siberian Branch of the Russian Academy of Sciences, Pr. Lavrentyeva 15, Novosibirsk 630090 (Russia)
3Tomsk State University, Pr. Lenina 36, Tomsk 634050 (Russia)
Keywords: бориды никеля, тепловой взрыв, электроискровое спекание, удельное электрическое сопротивление, микротвердость, nickel borides, thermal explosion, electric spark agglomeration, specific electric conductance, microhardness

Abstract >>
Nickel boride Ni3B is a promising material for making self-regulated heating elements. In the present work, the synthesis of nickel boride Ni3B and its compaction were carried out for the first time by means of electric spark agglomeration. Two approaches were considered for obtaining sintered materials based on Ni3B: 1) reactive electric spark agglomeration of the mixture of 3Ni + B subjected to preliminary mechanical treatment; 2) obtaining Ni3B by means of thermal explosion in mechanically treated powder mixture, followed by compaction of the resulting product with the help of electric spark agglomeration. It was established that the material based on Ni3B, obtained by reactive agglomeration, is characterized by lower content of admixture phase Ni2B and higher relative density and microhardness in comparison with the material obtained by sintering the product of thermal explosion at the same temperature. Specific electric conductance of agglomerated materials based on Ni3B is about 10-3 Ohm x cm.



13.
Solid-Phase Synthesis of Massive Catalysts of Hydrodesulphurization Based on Molybdenite and Small Amounts of Polar Liquids

T. A. FEDUSHCHAK1, M. A. UYMIN2, A. S. AKIMOV1, M. A. MOROZOV1, T. V. PETRENKO1, V. A. VOSMERIKOV1, S. P. ZHURAVKOV3
1Institute of Petroleum Chemistry, Siberian Branch of the Russian Academy of Sciences, Pr. Akademicheskiy 4, Tomsk 634021 (Russia)
2Mikheev Institute of Metal Physics, Ural Branch of the Russian Academy of Sciences, Ul. S. Kovalevskoy 18, Yekaterinburg 620990 (Russia)
3Tomsk Polytechnic University, Pr. Lenina 30, Tomsk 634050 (Russia)
Keywords: механоактивация, дисульфид молибдена, нанокатализаторы, гидродесульфирование, mechanical activation, molybdenum disulphide, nanocatalysts, hydrodesulphurization

Abstract >>
The samples of MoS2 with added small amounts of polar liquids were synthesized for the first time by means of soli-phase mechanical activation of commercial molybdenite. Physicochemical characteristics of the catalysts are discussed that have been measured by means of sedimentation analysis, XSA, XPES, TEM, thermal analysis. The high activity of the catalyst with small added amount of methanol was discovered in the model reaction of dibenzothiophene hydrogenolysis. It is demonstrated that the level of detect content does not determine the hydrodesulphurising ability of monocatalysts in the model reaction. Interconnection between the physicochemical characteristics of the catalysts and their activity in the model reaction was studied. Conclusions concerning the reaction routes were made on the basis of analysis of the composition of hydrodesulphurising agents by means of gas chromatography-mass spectrometry.



14.
Obtaining High-Purity Bismuth Citrate using Solid Oxohydroxonitrate

E. S. NAYDENKO1,2, A. A. ARTAMONOVA1,2, A. S. DAMINOV3, YU. M. YUKHIN1
1Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Ul. Kutateladze 18, Novosibirsk 630128 (Russia)
2Novosibirsk State Technical University, Pr. K. Marksa 20, Novosibirsk 630092 (Russia)
3Zavod Redkikh Metallov JSC, Ul. Telmana 18, Baryshevo Settlement, Novosibirsk District, Novosibirsk Region, 630554 (Russia)
Keywords: оксогидроксонитрат висмута, цитрат висмута, получение, bismuth oxohydroxonitrate, bismuth citrate, synthesis

Abstract >>
The interaction of solid bismuth oxohydroxonitrates having the composition [Bi6O4(OH)4](NO3)6 x 4H2O (I), [Bi6O5(OH3)](NO3)5 x 3H2O (II) and [Bi6O4(OH)4](NO3)6 x H2O (III) with the aqueous solutions of citric acid was studied by means of X-ray phase analysis, electron microscopy and atomic emission spectroscopy. The conditions for the formation of bismuth citrate having the composition BiC6H5O7 were determined.



15.
Mechanochemical Synthesis of Anhydrous Sodium Thiosulphate

D. N. DZHARLYKASIMOVA1, M. M. BURKITBAEV1, P. A. GALIEVA1, B. M. URALBEKOV1, F. KH. URAKAEV2
1Al-Faraby Kazakh National University, Pr. Al-Faraby 71, Almaty 050040 (Kazakhstan)
2Institute of Geology and Mineralogy, Siberian Branch of the Russian Academy of Sciences, Pr. Akademika Koptyuga 3, Novosibirsk 630090 (Russia)
Keywords: сера, сульфит натрия, механохимический синтез, тиосульфат натрия, sulphur, sodium sulphite, mechanochemcial synthesis, sodium thiosulphate

Abstract >>
Mechanochemical synthesis of anhydrous sodium thiosulphate Na2S2O3 was carried out for the first time by means of mechanical activation of the stoichiometric powder mixture of sodium sulphate (Na2SO3) and sulphur (S) in the ball planetary mill “Aktivator-2SL”. By means of iodometric titration, X-ray phase analysis and thermal analysis, it was established that under relatively mild conditions of mechanical activation for about 1 h the degree of transformation in the solid-phase reaction Na2SO3 + S = Na2S2O3 reaches 95 %.



16.
Structure Formation in the Steel-Copper System

P. I. KVEGLIS1, F. M. NOSKOV1, A. A. KALITOVA2, A. K. ABKARYAN1
1Siberian Federal University, Pr. Svobodny 79/10, Krasnoyarsk 660041 (Russia)
2East Kazakhstan State University, Ul. 30-y Gvardeyskoy Divizii 34, Ust-Kamenogorsk 070002 (Kazakhstan)
Keywords: пластическая деформация, сталь (Fe), медь, неравновесные твердые растворы, атомно-упорядоченные фазы, волны пластической деформации, plastic deformation, steel (Fe), copper, non-equilibrium solid solutions, atomically ordered phases, plastic deformation waves

Abstract >>
For steel and copper as example, the processes of structure formation are considered, taking place under the conditions of intense plastic deformation which is initiated by different kinds of dynamic loading in the zone of contact between the metals of different kinds. It is shown that intense plastic deformation promotes an increase in mutual solubility metals in each other and the formation of atomically ordered phases. In the case of ultrahigh pressure, the formation of atomically ordered phases was not detected. This is connected with the fact that the free atomic volume in the liquid phase, formed in the cumulative jet, exceeds the free volume during solid-phase interaction. A set of the models of structure formation under the gradient conditions can be united within the framework of the scheme “shear-turn”.



17.
Effect of the Conditions of Thermal Decomposition of Cobalt Azide in the Pores of Carbon Matrix on the Phase Composition of the Products

A. N. VOROPAY1,2, N. M. FEDOROVA2, YU. A. ZAKHAROV1,2, V. M. PUGACHEV2, V. G. DODONOV2, YU. V. SUROVIKIN3, A. V. IVANOV2
1Institute of Coal Chemistry and Material Science, Siberian Branch of the Russian Academy of Sciences, Sovetskiy Pr.18, Kemerovo 650000 (Russia)
2Kemerovo State University, Ul. Krasnaya 6, Kemerovo 650043 (Russia)
3Institute of Hydrocarbons Processing, Siberian Branch of the Russian Academy of Sciences, Ul. Neftezаvodskаya 54, Omsk 644040 (Russia)
Keywords: кобальт, оксиды кобальта, азид кобальта, пористый углерод, наноструктурированные композиты, cobalt, cobalt oxides, cobalt azide, porous carbon, nanostructured composites

Abstract >>
Effect of the nature of decomposition of the particles of cobalt azide deposited in the pores of carbon matrix on the phase composition and particle size characteristics of the products is considered. Porous carbon material of Sibunit type, of TU-145 grade (pore diameter 10-15 nm) was used as the matrix. The studies were carried out by means of X-ray diffraction, X-ray fluorescence analysis, complexometry, and thermogravimetry. It was established that mainly the Co3O4 phase is formed as a result of the slow decomposition of cobalt azide nanoparticles, while the product of explosive decomposition contains the metal phase and CoO.



18.
Dependence of the Critical Energy Density of the Initiation of Explosive Decomposition of PETN-Cо on the Duration of Laser Pulse

A. V. KALENSKY1, A. A. ZVEKOV2, I. YU. ZYKOV1, A. P. NIKITIN2
1Kemerovo State University, Ul. Krasnaya 6, Kemerovo 650043 (Russia)
2Institute of Coal Chemistry and Material Science, Siberian Branch of the Russian Academy of Sciences, Sovetskiy Pr.18, Kemerovo 650000 (Russia)
Keywords: парадокс малых частиц, моделирование, тепловой взрыв, энергетический материал, оптическое инициирование, длительность импульса, small particle paradox, modeling, thermal explosion, energy material, optical initiation, pulse duration

Abstract >>
Dependencies of the critical energy density of the initiation of explosive decomposition of PETN-Co nanocomposite on nanoparticle radius and the duration of the pulse of the first harmonics of neodymium laser were calculated using the microfocal model of thermal explosion. For each pulse duration, the minimal values of the critical energy density for the initiation and the corresponding radii of nanoparticles were determined. The calculation was carried out in two versions: 1) with the coefficient of absorption efficiency equal to 1, which is independent of nanoparticle radius; 2) taking into account the dependence of absorption efficiency coefficient on the radius of cobalt nanoparticle in a transparent matrix with the refractive index equal to 1.54 (PETN), calculated within the framework of Mie theory. For pulse duration shorter than 100 ns, calculation results differ substantially: neglect of the regularities of absorption by cobalt nanoparticles leads to a decrease in the minimal energy density by a factor of more than 17 for pulse duration 0.1 ns, while taking into account the dependence of the coefficient of absorption efficiency on particle radius, the energy threshold in this range decreases only by a factor of 3. The account of the dependence of laser pulse absorption efficiency coefficient on nanoparticle radius allows solving the paradox of small particles.



19.
Modelling of the Interaction of Silicon Oxide with Diphenol Derivatives. The Inertia Radius of the System

S. G. MAMYLOV
Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Ul. Kutateladze18, Novosibirsk 630128 (Russia)
Keywords: радиус инерции, сегмент Куна, фрактальная размерность, дифенольные производные оксида кремния, inertia radius, Coon segment, fractal dimension, diphenolic derivatives of silicon oxide

Abstract >>
Products of the interaction of diphenolic compounds (diph) hydroquinone, resorcinol, pyrocatechin with silicon oxide with the formation of chains of the general formula diph-(Si(OH)2-diph) n were studied by means of computer modeling. For each compound, inertia radius and other spatial characteristics were calculated; the fractal dimensionality was determined within the row of compounds. It was concluded on the basis of the results that for the compounds of hydroquinone and resorcinol series the shape of the polymer chain is a rod, while for the pyrocatechin series its shape is a stochastic clew.



20.
Supramolecular Structure of Arabinogalactan and Its Complexes with Betulin Diacetate

M. A. MIKHAILENKO1, A. S. KOZLOV2, M. R. SHARAFUTDINOV1,3, I. V. ELTSOV4, T. P. SHAKHTSHNEIDER4,1, S. A. KUZNETSOVA5,6, A. K. PETROV2
1Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Ul. Kutateladze 18, Novosibirsk 630128 (Russia)
2Institute of Chemical Kinetics and Combustion, Siberian Branch of the Russian Academy of Sciences, Ul. Institutskaya 3, Novosibirsk 630090 (Russia)
3Institute of Nuclear Physics, Siberian Branch of the Russian Academy of Sciences, Pr. Akademika Lavrentyeva 11, Novosibirsk 630090 (Russia)
4Novosibirsk State University, Ul. Pirogova 2, Novosibirsk 630090 (Russia)
5Institute of Chemistry and Chemical Technology, Siberian Branch of the Russian Academy of Sciences, Akademgorodok 50, build. 24, Krasnoyarsk 660036 (Russia)
6Siberian Federal University, Pr. Svobodny 79, Krasnoyarsk 660041 (Russia)
Keywords: арабиногалактан, комплекс арабиногалактана с диацетатом бетулина, надмолекулярная структура, arabinogalactan, complex of arabinogalactan with betulin diacetate, supramolecular structure

Abstract >>
Supramolecular structure of arabinogalactan and its complexes with betulin diacetate was studied. Using the methods of small-angle X-ray scattering and laser ablation, the presence of arabinogalactan associates in solution was demonstrated. The formation of these associates may proceed due to the interaction either with water molecules or with betulin diacetate molecules.



21.
Solid-Phase Mechanochemical Reactions of Gumic Acids

N. V. YUDINA1, A. V. SAVELYEVA1, E. V. MALTSEVA1, O. I. LOMOVSKY2
1Institute of Petroleum Chemistry, Siberian Branch of the Russian Academy of Sciences, Pr. Akademicheskiy 4, Tomsk 634055 (Russia)
2Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Ul. Kutateladze 18, Novosibirsk 630128 (Russia)
Keywords: бурый уголь, окисленный уголь, гуминовые кислоты, механоактивация, тяжелые металлы, brown coal, oxidized coal, humic acids, mechanical activation, heavy metals

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Effect of mechanical activation of brown and oxidized coal in the presence of alkaline reagent and abrasive material in different concentrations was demonstrated. Solid-phase mechanochemical reactions of humic acids with the salts of heavy metals were carried out. The features of structural transformations of humic acids during mechanical activation were revealed.



22.
Mechanical Activation of Enzymatic Hydrolysis of Highly Lignified Plant Raw Material

E. M. PODGORBUNSKYKH1, A. L. BYCHKOV1,2, O. I. LOMOVSKY1
1Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch of the Russian Academy of Sciences, Ul. Kutateladze 18, Novosibirsk 630128 (Russia)
2Novosibirsk State University, Ul. Pirogova 2, Novosibirsk 630090 (Russia)
Keywords: механическая активация, высоколигнифицированное растительное сырье, стебли тростника, ферментативный гидролиз, биотопливо, mechanical activation, highly lignified plant raw mateiral, reed stems, enzymatic hydrolysis, biofuel

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Effect of the conditions of mechanochemical activation on the efficiency of enzymatic hydrolysis of carbohydrates incorporated into highly lignified plant raw material - reed stem biomass was studied. Complicated supramolecular structure and high lignin content in the structure have a negative effect on enzymatic hydrolysis. The model conditions of fragile grinding and plastic deformation of the material under different temperature of mechanical activation are considered. The samples obtained by mechanical activation of lignocellulose material are characterized by increased reactivity in enzymatic hydrolysis due to an increase in the surface area and disordering of the crystalline regions in cellulose. Optimal conditions for mechanical activation of plant raw material for obtaining highly reactive products were established.