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Thermophysics and Aeromechanics

2009

Number: 2

30031.
Numerical modelling of the work of a pulsed aerosol system for fire fighting at the ignitions of liquid hydrocarbon fuels

A.D. Rychkov
Institute of Computational Technologies SB RAS Novosibirsk State University, rych@ict.nsc.ru
Keywords: numerical modelling, gas burning, two-phase turbulent flows, fire fighting
Pages: 291-301

Abstract >>
The work of a pulsed aerosol system for fire fighting is modelled, which is designed for fire fighting at oil storages and at the spills of oil products, whose vapors were modelled by gaseous methane. The system represents a device for separate installation, which consists of a charge of solid propellant (the gas generator) and a container with fine-dispersed powder of the flame-damper substance. The methane combustion was described by a one-stage gross-reaction, the influence of the concentration of vapors of the flame-damper substance on the combustion process was taken into account by reducing the pre-exponent factor in the Arrhenius law and was described by an empirical dependence.
The computational experiment showed that the application of the pulsed aerosol system for fire fighting ensures an efficient transport of fine-dispersed aerosol particles of the flame-damping substance and its forming vapors to the combustion zone; the concentration of particles ensures the damping of the heat source.



Number: 2

30032.
Exergy analysis of ramjet

A.F. Latypov
Khristianovich Institute of Theoretical and Applied Mechanics SB RAS, latypov@itam.nsc.ru
Keywords: exergy, diagram, ramjet, heat supply condition, pulsed-periodic energy supply
Pages: 303-313

Abstract >>
An exergy analysis of possible regimes of energy supply to the air flow in the ramjet duct is carried out. A condition for the supply of a given heat amount to supersonic flow and a condition of the passage across the sound velocity are obtained for a duct with variable cross-sectional area. An analysis of the flow in a model ramjet duct at a pulsed-periodic energy supply is carried out. For a clear demonstration of possible schemes of heat supply in such a duct, a diagram in the temperature-exergy coordinates is proposed. A duct configuration in which the heat supply to supersonic flow is realized with regard for the limitation of the gas static temperature is proposed.



Number: 2

30033.
Exergic analysis of new boiler technologies within power-generating units of thermal power plant

G.V. Nozdrenko1, P.A. Shchinnikov2, F.A. Serant3, V.G. Tomilov4, N.G. Zykova5, P.YU. Kovalenko6, E.E. Russkikh7
1 Novosibirsk State Technical University
2 Novosibirsk State Technical University
3 Novosibirsk State Technical University
4 Novosibirsk State Technical University
5 Novosibirsk State Technical University
6 Novosibirsk State Technical University
7 Novosibirsk State Technical University, russkih@cotes.ru
Keywords: power-generating unit, exergy, optimization
Pages: 315-323

Abstract >>
Fundamental principles of complex exergy analysis of new boiler technologies within power-generating units of thermoelectric power stations are set out. Results of analysis are stated.



Chemistry for Sustainable Development

2007

Number: 4

30034.
Innovative Education Programs in the Fields of Chemistry and Sustainable Development at D. Mendeleev Russian University of Chemical Technology

N. P. Tarasova, E. E. Purtov
Pages: 503-507

Abstract >>
Ideas of sustainable development spreading through the educational system form the framework of innovative programs. The problems of sustainable development are recognized as a constituent of professional training in many areas. It is shown with the example of D. Mendeleev Russian University of Chemical Technology that the innovative potential of sustainable development becomes the driving force of modern education. The principles underlying education for sustainable development include understanding of interdisciplinary relations and responsibility for social consequences of application of knowledge.



Number: 1

30035.
Organosilicon Derivatives of 1,1-Dimethylhydrazine

R. G. Mirskov, V. I. Rakhlin, S. N. Adamovich, O. S. Makarova, M. G. Voronkov
Pages: 1-9

Abstract >>
A review of the literature data is presented, as well as the results of the own authors' investigations in the area of development of synthesis procedures, studies of the reactivity, and search for the ways of the practical application of mono- and bis-triorganylsilyl derivatives of 1,1-dimethylhydrazine with the general formula R4 - nSi(NH-NMe2)n where n = 1-4, and (R3Si)2N-NMe2.



Number: 1

30036.
Synthesis and Application of the Products of the Interaction of Sulphuric Anhydride with Perfluoroolefins

G. G. Furin
Pages: 11-23

Abstract >>
A set of the problems and directions of the accelerated development of the methods of synthesis of fluorine-containing β-sultones by means of the interaction of sulphur trioxide with perfluorinated olefins is considered in connection with the outlooks for their wide use to obtain fluorinated materials for a broad range of practical applications. For instance, they are used as semi-products to obtain polyfluorinated sulpho- and carboxylic acids which are involved in the manufacture of fluorinated membranes for electrochemical processes. The effect of substituents at the unsaturated bond on the formation of a four-membered cycle and the effect of Lewis acids on obtaining unsaturated fluorosulphates. The areas of application are described.



Number: 1

30037.
Effect of the Industry-Related Air Pollution on the Accumulation of Heavy Metals in the Pine Needles in the Basin of the Selenga River

L. V. Afanasieva, V. K. Kashin, T. A. Mikhailova, N. S. Berezhnaya
Pages: 25-31

Abstract >>
The concentrations of heavy metals (mercury, cadmium, lead, copper and zinc) in needles of Pinus sylvestris growing at the polluted and background territories of the basin of the Selenga River are investigated. The dependence between the metal content of needles and the soil is shown. Using the concentration coefficients for different pollution zones, the rows of metal accumulation in pine needles are arranged; they depict the level of the emission load on forests. In the zone of strong pollution, the highest correlations between the concentrations of lead and cadmium in needles and the morphometric parameters of trees are detected.



2009

Number: 5

30038.
DFT-BASED QUANTUM THEORETIC QSPR STUDIES OF THE GLASS TRANSITION TEMPERATURES OF POLYACRYLATES

X.L. Yu, W.H. Yu, X.Y. Wang
Keywords: polyacrylates, density function theory, glass transition temperature, QSPR
Pages: 859-864

Abstract >>
A quantitative structure-property relationship (QSPR) model obtained by using multiple linear stepwise regression analysis, with correlation coefficient R of 0.979 for the training set and 0.951 for the validation set, was developed to predict the glass transition temperature (Tg) values of polyacrylates. Three quantum chemical descriptors (the molecular average polarizability α, the entropy S, and the lowest unoccupied molecular orbital ELUMO) obtained directly from polyacrylates monomer structure by density function theory (DFT) calculation, were used to produce the model. The result confirmed the role that quantum chemical descriptors play in studying QSPR of glass transition temperature for polymers.



Number: 5

30039.
STRUCTURAL STUDIES OF L-seryl-L-HISTIDINE DIPEPTIDE BY MEANS OF MOLECULAR MODELING, DFT AND 1H NMR SPECTROSCOPY

Y. Liu, J.-B. Hou, X.-X. Liu, F.-M. Miao, Y.-F. Zhao
Keywords: Ser-His, dipeptide, molecular modeling, DFT, lowest energy structure
Pages: 873-877

Abstract >>
L-Seryl-L-histidine dipeptide is of scientific interest mainly because of its various biological activities. In this paper, the lowest energy structure of the dipeptide was determined by molecular modeling, and further validated by quantum chemistry calculations and 1H NMR spectroscopy.



Number: 5

30040.
SYNTHESES AND CRYSTAL STRUCTURES OF NINE-COORDINATE K2[EuIII(dtpa)(H2O)]·5H2O AND Na2[TbIII(Httha)]·6H2O COMPLEXES

B. Liu, Y.F. Wang, J. Wang, J. Gao, R. Xu, Y.M. Kong, L.Q. Zhang, X.D. Zhang
Keywords: Eu3+, Tb3+, Diethylenetriamine-N,N,N',N",N"-pentaacetic acid (H5dtpa), triethylenetetramine-N,N,N',N',N",N"-hexaacetic acid (H6ttha), complex
Pages: 917-923

Abstract >>
The title complexes, K2[EuIII(dtpa)(H2O)]·5H2O (H5dtpa = diethylenetriamine-N,N,N′,N″,N″-pentaacetic acid), Na2[TbIII(Httha)]·6H2O (H6ttha = triethylenetetramine-N,N,N′,N′,N″,N″-hexaacetic acid), were prepared, and their compositions and structures were determined by elemental analyses and single-crystal X-ray diffraction techniques. The crystal of K2[EuIII(dtpa)(H2O)]·5H2O belongs to triclinic crystal system and P space group. The crystal data are as follows: a = 8.3540(17) Å, b = 10.147(2) Å, c = 15.059(3) Å, α = 84.63(3)°, β = 82.02(3)°, γ = 83.96(3)°, V = 1253.1(4) Å3, Z = 2, R = 0.0325 and wR = 0.1013 for 4407 observed reflections with I ≥ 2σ(I). The [EuIII(dtpa)(H2O)]2- has a nine-coordinate pseudo-monocapped square antiprismatic structure, in which the nine coordinate atoms, three N and six O are from one dtpa ligand and one water molecule. The crystal of the Na2[TbIII(Httha)]·6H2O belongs to monoclinic system and P21/c space group. The crystal data are as follows: a = 10.3976(10) Å, b = 12.7908(13) Å, c = 23.199(2) Å, β = 90.914(2)°, V = = 3084.9(5) Å3, Z = 4, R = 0.0309 and wR = 0.0704 for 5429 observed reflections with I ≥ ≥ 2σ(I). In the [TbIII(Httha)]2-, the Tb3+ ion is nine-coordinated yielding a pseudo-monocapped square antiprismatic conformation, in which the ttha ligand coordinates to the central Tb3+ ion with four N atoms and five O atoms. There is a free non-coordinate carboxyl group (-CH2COOH) that can be modified by some biological molecules having target function.




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