AN ASSESSMENT OF INTERACTION PARAMETERS IN BINARY METALLIC SYSTEMS

An approach of describing the thermodynamics of binary alloys is developed which is based on an exact expression of infinite MacLaurin series of molar excess Gibbs free energy. This new approach is successfully used to represent the thermodynamics of binary alloys at higher concentrations. The present results reveal that it is an improper way to evaluate first and second-order interaction parameters simultaneously from the experimental data in the range of higher concentrations due to an inadequate accuracy Of high temperature experiments.

Comparison of the Molecular Interaction Volume Model with the Wagner Formulae in the Zn-Pb-In and Zn-Sn-Cd-Pb Dilute Solutions

The coordination numbers in the molecular interaction volume model (MIVM) can be calculated from the commonphysical quantities of pure liquid metals. A notable feature of the model lie in its capability to predict the ther-modynamic properties of solutes in the Zn-Pb-In and Zn-Sn-Cd-Pb dilute solutions using only the binary infinitedilute activity coefficients, and the predicted values are in good agreement with the experimental data of the dilutesolutions.

Design of the Metal Precursors Molecular Structures in Impregnating Solutions for Preparation of Efficient Ni Mo/Al_2O_3 Hydrodesulfurization Catalysts

The molecular structures of metal precursors in the impregnating solution were designed so as to prepare efficient Ni Mo/Al_2O_3 hydrodesulfurization(HDS) catalysts. At first, five typical impregnating solutions were designed; the existing metal precursors, such as [Mo4(citrate)2O11]^(4-)-like, [P2Mo18O62]^(6-)-like and [P2Mo5O23]^(6-)-like species in the solutions were confirmed by laser Raman spectroscopy(LRS). The UV-Vis spectra results indicated that the solutions containing both phosphoric acid and citric acid could change the existing form of nickel species. Five corresponding Ni Mo/Al_2O_3 catalysts were prepared by the incipient wetness impregnation method. The LRS analysis results of dried catalysts showed that the above metal precursors could be partly retained on alumina support after impregnation and drying, although the interface reaction between different metal precursors and alumina support unavoidably took place. Then the catalysts were sulfided and characterized by N2 physisorption, TEM and XPS analyses. The results showed that different metal precursors in impregnating solution could mainly result in the difference in both the morphology of(Ni)Mo S2 slabs and the promoting effect of Ni species. The catalyst prepared mainly with [P2Mo5O23]^(6-)-like species used as precursors exhibited worse dispersion of(Ni)Mo S2 slabs and lower ratio of Ni–Mo–S active phases than the one with [Mo4(citrate)2O11]^(4-)-like species. Promisingly, the catalyst prepared with co-existing [Mo4(citrate)2O11]^(4-)-like, [P2Mo18O62]^(6-)-like and [P2Mo5O23]^(6-)-like species showed better hydrodesulfurization activity for 4,6-DMDBT thanks to its more well-dispersed Ni–Mo–S active phases.

Electrocatalytic Activity of Ni/C Electrodes Prepared by Metal Vapor Synthesis For Hydrogen Evolution in Alkaline Solution

The metal vapor synthesis (MVS) methed was used to prepare activatedcarbon supported nickel electrode. The electrocatalytic activity of the electrode forhydrogen evolution reaction(HGR) in alkaline solution was studied. Cathodicpolarization curves showed the electrocatalytic activity of Ni/C electrode prepared byMVS method was higher than that of the one prepared by conventional method.

Calculation of Interaction Parameters from Immiscible Phase Diagram of Alkali Metal or Alkali Earth Metal-Halide System by Means of Subregular Solution Model

In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpressed as follows:Gm^E=xAxB[(λ11+λ12T)+(λ21+λ22T)xB]The calculation of the model parameters, λ11, λ12, λ21and λ22, was carried out numerically from the phase diagrams for 11 alkali metal-alkali halide or alkali earth metal-halide systems. In addition, artificial neural network trained by known data has been used to predict the values of these model parameters. The predicted results are in good agreement with the .calculated ones. The applicability of the subregular solution model to the alkali metal-alkali halide or alkali earth metal-halide systems were tested by comparing the available experimental composition along the boundary of miscibility gap with the calculated ones which were obtained by using genetic algorithm. The good agreement between the calculated and experimental results across the entire liquidus is valid evidence in support of the model.

Nonmetal-Metal Transition in Solutions of Metals in Molten Salts

Solutions of metals in molten salts present a rich phenomenology: localisatlon of electrons in disordered ionic media, activated electron transport increasing with metal concentration towards a nonmetal-metal (NM-M) transition, and liquid-liquid phase separation. A brief review of progress in the study of these systems is given in this article, with main focus on the NM-M transition. After recalling the known NM-M behaviour of the component elements in the case of expanded fluid alkali metals and mercury and of solid halogens under pressure, the article focuses on liquid metal-molten salt solutions and traces the different NM-M behaviours of the alkalis in their halides and of metals added to polyvalent metal halides.

Elasto-plastic analysis of crack in metallic foams

To determine the solutions of the well-known problem of a finite width strip with single edge crack,some results on elasto-plastic fracture analysis for metallic foams are reported.Meanwhile,in order to discuss and put an insight into the nonlinear fracture analysis,the Dugdale model for plastic deformation of this configuration for metallic foams is recommended and solved.Combining the asymptotic solution with the Dugdale model and elastic solution,the stress field in the plastic zone and the size of the plastic zone are expressed as analytical forms.Based on Williams expansion method,the estimate of the scale factor is also completed and analyzed.In view of these analytical solutions,the results show the scale factor is a useful parameter for the fracture theory of metallic foams.

First-principles study of substitutional solute and carbon interactions in tungsten

Interstitial carbon and substitutional transition metal(TM)solutes are common impurities in tungsten and tungsten alloys.Yet,despite its important role in affecting mechanical and irradiation performances of tungsten,the interplay between these impurities remains largely unknown.In this work,we performed systematic first-principles simulations to study the interaction between carbon and TM solutes.By calculating related binding energies,we found that interplay between carbon and TM solutes is dominated by elastic interactions,with carbon generally showing attractions to TM solutes.Further,including vacancies in our calculation,we found that all solute-vacancy-carbon complexes are energetically stable with respect to associated point defects.Additional analysis shows that vacancy-carbon binding is generally weakened by TM solutes,while carbon also in turn reduces the binding energy between vacancy and TM solutes.Based on these binding energy results,we,respectively,evaluated the effect of solute and carbon on each other’s diffusion behaviors.We found that Cr and V slightly decrease the carbon diffusivity while other commonly seen TM solutes show little impacts on carbon diffusion,and we also expect carbon to slow down vacancy-mediated TM solute diffusion in tungsten.