Oxide thermodynamic model

A thermodynamic model for the partial oxidation of H S was used to study product compositions attainable in the superadiabatic partial oxidation regime. Supera-diabatic partial oxidation teclmiques permit attaimnent of operating temperatures sigiuficantly in excess of the adiabatic temperature of the incoming reactants (Sli-mane et al., 2004a). 

Kerrick D. M. and Darken L. S. (1975). Statistical thermodynamic models for ideal oxide and silicate solid solutions, with applications to plagioclase. Geochim. Cosmochim. Acta, 39 1431-1442. 

Seo, Y.-T. Kang, S.-P. Lee, H. (2001). Experimental determination and thermodynamic modeling of methane and nitrogen hydrates in the presence of THF, propylene oxide, 1,4-dioxane and acetone. Fluid Phase Equilibria, 189, 99-110. 

Jambor, J.L. Dutrizac, J.E. (1998) Occurrence and constitution of natural and synthetic fer-rihydrite, a widespread iron oxyhydroxide. Chem. Rev. 98 2549-2585 James, R.O. ElealyT.W. (1972) Adsorption of hydrolyzable metal ions at the oxide-water interface. Ill A thermodynamic model of adsorption. J. Colloid Interface Sci. 40 65-81 James, R.O. Parks, G.A. (1982) Characterization of aqueous colloids by their electrical double layer and intrinsic surface chemical properties. Surface Colloid Sci. 12 119-126... 

Fig. 3. Thermodynamic model of oxide layer as a reaction activation barrier, with free energy release AUoxi

The thermodynamic approach considers micropores as elements of the structure of the system possessing excess (free) energy, hence, micropore formation processes are described in general terms of nonequilibrium thermodynamics, if no kinetic limitations appear. The applicability of the thermodynamic approach to description of micropore formation is very large, because this one is, in most cases, the result of fast chemical reactions and related heat/mass transfer processes. The thermodynamic description does not contradict to the fractal one because of reasons which are analyzed below in Sec. II. C but the nonequilibrium thermodynamic models are, in most cases, more strict and complete than the fractal ones, and the application of the fractal approach furnishes no additional information. If no polymerization takes place (that is right for most of processes of preparation of active carbons at high temperatures by pyrolysis or oxidation of primary organic materials), traditional methods of nonequilibrium thermodynamics (especially nonequilibrium statistical thermodynamics) are applicable. 

Consider a non-reactive system consisting of a binary liquid alloy A-B and an oxide substrate such as AI1O3 at constant temperature. A simple statistical thermodynamic model has been developed (Li et al. 1989) to predict the contact angle and the work of adhesion isotherms, 0(XB) and Wa(XB), from the known values of contact angles... 

A thermodynamic model of dissolution is presented in this chapter, which relates the solubility product constant to the thermodynamic potentials and measurable parameters, such as temperature and pressure of the solution. The resulting relations allow us to develop conditions in which CBPCs are likely to form by reactions of various oxides (or minerals) with phosphate solutions. Thus, the model predicts formation of CBPCs. 

The adsorption of binary mixtures of anionic surfactants of a homologous series (sodium octyl sulfate and sodium dodecyl sulfate) on alpha aluminum oxide was measured. A thermodynamic model was developed to describe ideal mixed admicelle (adsorbed surfactant bilayer) formation, for concentrations between the critical admicelle concentration and the critical micelle concentration. Specific... 

James, R. 0., and Healy, T. W., Adsorption of hydrolyzable metal ions at the oxide-water interface. III. A thermodynamic model of adsorption. J. Coll. Interface Sci. 40, 65-81 (1972)... 

This chapter provides further evidence for the importance of the electron affinity of the oxidizing half reaction in the intercalation of graphite by fluo-rospecies. Moreover, the simple thermodynamic model that accounts for the oxidative intercalation of graphite by fluoroanions is confirmed by reversal of the intercalation in reactions of known enthalpy change. Threshold values of electron affinity (E) for the onset of intercalation and for first-stage intercalation by MFg have also been assessed. 

Berman R. G. (1983) A thermodynamic model for multi-component melts, with application to the system calcium oxide-magnesium oxide-alumina-silica. PhD Thesis, University of British Columbia. 

In 1963 Dr. Danbk joined the Institute of Inorganic Chemistry of the Slovak Academy of Sciences in Bratislava, of which he was the director in the period 1991-1995. His main field of interest was the physical chemistry of molten salts systems in particular the study of the relations between the composition, properties, and structure of inorganic melts. He developed a method to measure the electrical conductivity of molten fluorides. He proposed the thermodynamic model of silicate melts and applied it to a number of two- and three-component silicate systems. He also developed the dissociation model of molten salts mixtures and applied it to different types of inorganic systems. More recently his work was in the field of chemical synthesis of double oxides from fused salts and the investigation of the physicochemical properties of molten systems of interest as electrolytes for the electrochemical deposition of metals from natural minerals, molybdenum, the synthesis of transition metal borides, and for aluminium production. 

Petrii, O.A., Surface electrochemistry of oxides Thermodynamic and model approaches, Electrochim. Acta, 41, 2307, 1996. 

Uppsala and Northwestern University, thermodynamic calculations were performed using Bi(ph)3, Sr(hfa)itet, Ca(hfa)2tet, and Cu(acac)2 as metal-organic precursors [126]. The experimentally observed phase stability of BSCCO for in situ CVD was in agreement with the calculated thermodynamic oxide stability diagrams [126]. These results indicate that thermodynamic modeling can be used as a guide for the optimization of CVD routes to complex metal oxide films. 

James RO, Healy TW (1972) The adsorption of hydrolyzable metal ions at the oxide-water interface. III. A thermodynamic model of adsorption. J Colloid Interface Sci 40 65-81 Jardine PM, Fendorf SE, Mayes MA, Larsen IL, Brooks SC, Bailey WB (1999) Fate and transport of hexavalent chromium in undisturbed heterogeneous soil. Environ Sci Technol 33 2939-2944 Jayanetti S, Mayanovic RA, Anderson AJ, Bassett WA, Chou I-M (2001) Analysis of radiation-induced small Cu particle cluster formation in aqueous CuCl2. J Chem Phys 115 954-962. 

When it comes to physical meaning, parameters in the thermodynamic model sometimes have meanings that are difficult to relate to the real world, as we have seen, particularly in the case of standard states. The example most relevant here is oxygen fugacity, another measure of the state of oxidation of systems, which we will consider in a later section. Oxygen fugacity is often used as a parameter in systems which contain no O2, just as water contains no free electrons. Still, there are other. systems where fugacity approximates partial pressures, and this is a link to reality that... 

Juxtaposition of the thermodynamic model of the oxide surface with the simplified electric double-layer model... 

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