Triphenylphosphine Oxide as an Inhibitor of Acid Corrosion of Iron

Yu. P. Vishnevskaya, V. N. Rodionov, D. A. Tkalenko, and M. V. Byk

Ukrainian National Technical University (KPI), pr. Pobedy 37, Kiev-56, 03056 Ukraine

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Received May 17, 2007

PACS numbers: 81.65.Kn

Diagrams of Chemical and Electrochemical Equilibriums of NickelMolybdenum and NickelChromiumMolybdenum  Alloys

A. G. Tyurin and N. V. Markina

Chelyabinsk State University, ul. Br. Kashirinykh 129, Chelyabinsk, 454021 Russia

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Received February 27, 2006

Abstract — The phase diagram of the Ni–Mo–O system and the potential–pH diagram of the Ni–Mo–H₂O system at 25°C are composed. The electrochemical equilibrium diagram of a NiCr₁₅Mo₁₅ alloy (70%Ni + 15%Mo + 15%Cr) at the standard temperature is refined. The beneficial effect of molybdenum on the stability of the alloys' passive state is discussed in terms of thermodynamics.

Dynamics of the Development of the Subject Field Alloy Electroplating

E. G. Vinokurov¹ and V/ V. Bondar’²

¹Mendeleev University of Chemical Engineering, Miusskaya pl. 9, Moscow, 125190 Russia

²All-Russian Institute of Scientific and Technical Information, Russian Academy of Sciences (VINITI RAN), Moscow, Russia

Received November 15, 2007

PACS numbers: 82.45.Qr, 81.15.Pq

Mechanisms of Electroreduction and Electroplating of VI-A Group Metal Coatings from Ionic Melts

V. V. Malyshev

Open International University of Human Development “Ukraine”, ul. Khorevaya 1-g, Kiev-71, 04071 Ukraine

National Ukrainian Technical University “KPI”, Pr. Pobedy 37, korp. 4, Kiev-56, 03056 Ukraine

Received April 15, 2007

Abstract — Information on electroreduction mechanisms of electroplating VI-A group metal coatings from ionic melts is considered and summarized. The state of the art in this field of studies is analyzed and their prospects are discussed.

PACS numbers: 81.15.Pq

Quantum Chemical Modeling of Hydroxide Ion Adsorption on Group IB Metals from Aqueous Solutions

I. V. Nechaev and A. V. Vvedenskii

Voronezh State University, Universitetskaya pl. 1, Voronezh, 394006 Russia

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Received July 9, 2008

Abstract — Interactions between hydroxide ions and (001), (011), and (111) faces of Cu, Ag, and Au in the gas phase and in an infinitely diluted aqueous solution are nonempirically studied with the density functional method (DFT) with the use of B3LYP functional. Adsorption surfaces are modeled by n-atomic clusters (n =10–18). The presence of solvent is taken into account in terms of the combined molecular–continuum model, and the effect of polarizable dielectric is estimated with the use of self-consistent solvent reaction field COSMO model. The composition and structure of hydrated hydroxide ion are found and the hydration energy is estimated in satisfactory agreement with the experimental data. Relative effects of the metal nature, crystal face orientation, and adsorption site on the adsorption characteristics are determined, and the geometrical parame-ters of the chemisorption bond and the degree of the partial charge transfer are estimated. A comparative analysis of the results obtained shows that the adsorption on-top position, which is energetically unfavorable in the gas phase, becomes prevailing in an aqueous solution, which can be explained by the increased stability of the on-top adsorption complex.

PACS numbers: 68.43.-h

Evolution of the Structures and Sorption Properties of Dehydrochlorinated Chloropolymers during Their Thermal Conversions

Yu. G. Kryazhev, V. S. Solodovnichenko, N. V. Antonicheva, T. I. Gulyaeva, V. A. Drozdov, and V. A. Likholobov

Omsk Scientific Center, Siberian Division, Russian Academy of Sciences, Omsk, Russia

Institute of Problems of Hydrocarbon Processing, Siberian Division, Russian Academy of Sciences, ul. Neftezavodskaya 54,  Omsk, 644040 Russia

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Received June 5, 2008

Abstract — A microporous carbon material can be obtained by dehydrochlorination of the polymeric formulation poly(vinyl chloride)–poly(vinylidene chloride) in the presence of KOH followed by thermal treatment at a relatively low temperature (350°C in a nitrogen–oxygen gas mixture (10 : 1 w/w)). This is because the chemical dehydrochlorination gives highly reactive chloro-containing polyconjugate systems. The conversion of chloropolyene systems into carbon structures is confirmed by Raman spectroscopy and TGA with MS analysis of volatile pyrolysis products. The resulting carbon material has a system of pores including ultramicropores 6.50.5Å), micropores (16 1 Å), and mesopores (average pore size 150 7 Å).

On the Problem of Chromium Effect on the Passivability of FeCr Alloys

O. V. Kasparova^a*, Yu. V. Baldokhin^b, G. F. Potapova^a, and M. O. Anosova^c

^a Karpov Institute of Physical Chemistry, Vorontsovo pole 10, Moscow, 105064 Russia

^b Semenov Institute of Chemical Physics, Russian Academy of Sciences, ul. Kosygina 4, 119991 Russia

^c Moscow Institute of Steel and Alloys State Technological University, Leninskii pr. 4, Moscow, 119049 Russia

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Received April 3, 2008

Abstract—The hyperfine magnetic and electronic structure of annealed iron alloys containing 9.0, 11.8, and 12.7% chromium is studied using of Mössbauer spectroscopy. Probability distribution functions of hyperfine magnetic fields P(H_eff), mean-square intensities of the effective magnetic field H_{eff, m-sq}, average isomer (chemical) shifts , and other spectral parameters are calculated with the use of computer modeling. Data from Möss-
bauer spectroscopy are compared to the results of polarization measurements in 1 N H₂SO₄ solution at room temperature in order to find the correlation between the electronic structure and the passivability of the alloys studied.

PACS: 76.80.+y; 82.45.Bb

Thermodynamic Analysis of the Gas Phase Composition over UraniumPlutonium Carbonitride Irradiated with Fast Neutrons

G. S. Bulatov, K. N. Gedgovd, and D. Yu. Lyubimov

Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia

Luch Research Institute (Research and Production Association, Federal Governmental Unitary Company), Russia

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Received October 14, 2008

Abstract — A thermodynamic analysis of the gas phase composition over uranium–plutonium carbonitride U_0.8Pu(C_0.5N_0.5)_0.995 irradiated with fast neutrons was carried out with respect to temperature and burnout. In the temperature range of 900–2500 K, accumulation of fission products in fuel resulted in the formation of amulticomponent gas phase containing the following basic elements and compounds: volatile (Cs, Sr, Ba, Se, Te, I, Pd, CsI, Cs₂I₂, BaI, SrI, BaI₂, SrI₂, LaSe, TeSe, and LaTe), nitrogen-containing components (N₂, N, CN,N₂, C₂N₂, UN, UN₂, PuN₂, CsN, CeN, LaN, YN, MoN, and ZrN), carbon-containing components (C, UC, UC₂, C₄, PuC, PuC₂, PuC₄, ZrC, ZrC₂, YC₂, CeC₂, LaC₂, and NdC₂), and hardly volatile metals (U, Pu, Ru, Rh, Pd, Y, Ce, La, Nd, Tc, Mo, and Zr). The partial pressures of the said gas phase components over carbonitride fuel were calculated with respect to temperature and burnout (up to 18%).

PACS: 05.70.Np

Synthesis and Studies of Mesomorphism of New Octa-(benzo-15-crown-5)-Substituted Phthalocyanines and Transition Metal Phthalocyaninates

N. M. Logacheva, V. E. Baulin^a, O. B. Akopova, and A. Yu. Tsivadze

Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences,
Leninskii pr. 31, Moscow, 119991 Russia

^a Ivanovo State University, ul. Ermaka 39, Ivanovo, 153000 Russia

Received November 24, 2008

Abstract — Previously unknown octa-(benzo-15crown-5)-substituted phthalocyanine (1) and its metallocom-
plexes with Ni(II) (2), Co(II) (3), Cu(II) (4), Zn(II) (5), and Cd(II) (6) are synthesized. The possible formation of mesophases of these compounds is predicted and their mesomorphic properties are studied. It is found that compounds 1, 2, and 4 exhibit high-temperature enantiotropic mesomorphism typical of discotic mesogenes, which is well consistent with the predicted results. Free phthalocyanine (1) reveals dimesomorphism according to the DSC and thermomicroscopic data. According to the studies of miscibility of compound 1 with discotic mesogene, 2,3,6,7,10,11-hexa(cyclohexanebenzoyloxy)triphenylene, which exhibits nematic mesomorphism. The second phase transition is identified as the transition to a nematic phase. According to the texture of this mixture, compound 1 was classified with discotic mesogenes that form columnar nematics (N_Col). The first phase transition of 1 from a crystal to the mesophase was identified as columnar (Col). Phthalocyanines of cobalt (3) and copper(4) revealed latent mesomorphism according to the studies of their mixtures with the chiralnematic liquid crystal of cholesterin diphenylate.

PACS: 81.16.Fg; 81.05.Lg; 81.07.Nb

Nickel(II), Palladium(II), Platinum(II), and Magnesium(II) Fluorene-Substituted Porphyrinates: Synthesis, Structure, and Comparative Analysis of Fluorescence Spectra

Yu. A. Plachev*, A. Yu. Chernyadyev, and A. Yu. Tsivadze

Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, 31 Leninskii pr., str. 4, Moscow, 19991 Russia

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Received December 11, 2008

Abstract — Using free meso-tetra(2-fluorenyl)porphine (H₂TFP) and nickel(II), palladium(II), and platinum(II) chlorides and an MgBr₂ · Et₂O complex, corresponding metal porphyrinates were synthesized with a high yield. The structures of these new compounds were studied by means of ¹H NMR spectroscopy and electron absorption spectroscopy. The fluorescence spectra of the synthesized compounds in toluene solution were comparatively analyzed. Coordination of Mg²⁺ ion with porphyrinic cycle H₂TFP significantly increases the fluorescence intensity of porphyrinic luminophore; however, the coordination of platinum metal ions (Pt²⁺, Pd²⁺) with tetrapyrrole fragment H₂TPP decreases the fluorescence intensity of porphyrinic cycle and, in the case of nickel ions, fluorescence transitions disappear

PACS numbers: 81.16.Fg; 81.05.Lq; 81.07. Nb