Preparation and Eh--pH diagrams of Fe(II)--Fe(III) green rust compounds; hyperfine interaction characteristics and stoichiometry of hydroxy-chloride, -sulphate and -carbonate

Fe(II)--Fe(III) hydroxy-chloride, -sulphate and -carbonate were prepared by oxidation of a ferrous hydroxide precipitate in anion-containing aqueous solutions. The compounds are characterized by monitoring the redox potential E_h and the pH of stochiometric suspension vs time with the appropriate concentration ratios. X-ray diffraction allows us to characterize the crystal structure by distinguishing “green rust one” (GR1) from “green rust two” (GR2). Since green rusts (GRs) are of a pyroaurite-sjögrenite-like structure, i.e., consisting of intercalated foreign anions and water molecules in the interlayers between the brucite-like layers of Fe(OH)₂, their chemical formulae can be determined from the Mössbauer spectra. Three quadrupole doublets are observed: D₁ and D₂ correspond to a ferrous state with isomershift IS of about 1.27 mm s^-1 and quadrupole splittings QS of about 2.85 and 2.60 mm s^-1, respectively, whereas D₃ corresponds to a ferric state with IS and QS of about 0.4 mm s^-1. The hyperfine parameters of these doublets are similar from one green rust to another but their intensity ratios vary considerably. Finally, E_h and pH equilibrium diagrams of the Fe species in the presence of chloride, sulphate and carbonate anions contained within the water solution are drawn and the thermodynamic conditions of existence and degrees of oxidation of green rusts are discussed.     

Reactivity of sites on Al2O3 surface modified by Ni

It has been established that CO oxidation with excess O₂ on Ni/Al₂O₃ forms an inhomogeneous NiO contact surface that smoothes critical effects in the sharp reactivity change.     

The Assessment of Reservation Prices of an Intermediate R&D Result and Patent Reward Under Oligopolistic Competitive Behaviour

One of the shortcomings of R&D evaluation is a lack of emphasis on analytical assessment of the value of an on-going R&D project. This paper addresses the problem concerning the distributive aspect of access to superior knowledge. Decision tree analysis and probability models appear to be appropriate tools for assessing the values of an intermediate result and patent reward of a firm's R&D decision in an environment of perfect information and oligopolistic competition. The assessed values are used as minimum prices acceptable to the firm when the knowledge is disseminated to the public. This paper will attempt to resolve this problem through the determination of the appropriate values of the reservation price of the first-stage invention in terms of the final reward and of a patent reward for which the inventor is willing to apply.     

Direct SCF structure optimization of large molecules on networks of workstations

A program to optimize the structure of large molecules at the Hartree–Fock level of theory running concurrently on a network of workstations is presented. Problems encountered in obtaining nearly optimal speedup and their solutions are discussed. A simple scheduling algorithm is presented that enables up to 99.5% of the code to run in parallel. © 1993 John Wiley & Sons, Inc.     

Spin-trapped hydroxyl free radicals studied at low field by Field-Cycled Dynamic Nuclear Polarization

The technique of Field-Cycled Dynamic Nuclear Polarization (FC-DNP) involves the EPR irradiation of a free radical solution and the subsequent observation of the NMR signal, the experiment being carried out at a range of magnetic field strengths in order to measure the free radical’s EPR spectrum. In this work FC-DNP has been used to study the EPR spectrum of DMPO spin-trapped hydroxyl free radicals at magnetic field strengths between 0.5 mT and 13.0 mT (5–130 Gauss). The low-field EPR spectrum contains six separate EPR lines, in contrast to the well-known X-band spectrum where only four are seen. Knowledge of the spin-adduct’s EPR spectrum will be of use to workers involved in low-field EPR, especially those conducting biological or in-vivo spin-trapping experiments.     

Reflectionless potentials and soliton series of the KDV equation

Potentials of the Schrödinger equation, slowly decreasing at infinity, generate an infinite discrete spectrum converging to zero. The inverse scattering problem in the class of such potentials is solved in a constructive way similarly to the classical soliton theory. An infinite-dimensional system arising from Backlund transformations over soliton solutions plays the role of a determinant representation of the potential. The asymptotics at infinity is derived by use of the Poisson summation formula. An application to the long-time asymptotics of the solution of the Korteweg-de Vries equation is considered.In Memory of Prof. M. C. PolivanovInstitute of Mathematics, Urals Branch, Russian Academy of Sciences, 450000, Chernyshevsky str. 112, Ufa, Russia. Published in Teoreticheskaya i Matematicheskaya Fizika, Vol. 93, No. 2, pp. 286–301, November, 1992.     

Quadrics on Riemannian spaces of constant curvature. Separation of variables and connection with the Gaudin magnet

Integrable systems associated with separation of the variables in real Riemannian spaces of constant curvature are considered. An isomorphism between all such systems and the hyperbolic Gaudin magnet is established. This isomorphism is used in a classification of all coordinate systems that admit separation of the variables, the basis of which is the classification of the correspondingL operators of the Gaudin magnet.Leningrad State University. Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 91, No. 1, pp. 83–111, April, 1992.     

Systematics of flux jumps and the stabilizing effect of flux creep in a La1.86Sr0.14CuO4 single crystal

Flux jumps have been observed in a large (138 mg) single crystal of La_1.86Sr_0.14CuO₄. Both complete and incomplete flux jumps are observed with the energy dissipated by complete flux jumps consistent with temperature rises to nearly T_c. The systematics of these flux jumps with respect to field history, temperature and the time duration of the hysteresis measurements are reported. The field at which flux jumps first occur and their subsequent spacing are not consistent with a simple adiabatic theory of flux jumps for our experimental conditions. Instead, the crystal is observed to be stabilized against flux jumps by flux creep which occurs during the time interval over which field steps are accomplished as well as during imposed time intervals between field steps.