Binary phase diagram, thermodynamic

The general thermodynamic treatment of binary systems which involve the incorporation of an electroactive species into a solid alloy electrode under the assumption of complete equilibrium was presented by Weppner and Huggins [19-21], Under these conditions the Gibbs Phase Rule specifies that the electrochemical potential varies with composition in the single-phase regions of a binary phase diagram, and is composition-independent in two-phase regions if the temperature and total pressure are kept constant. 

Binary phase diagrams from thermodynamics Gibbs phase rule... 

As a conclusion to these notes on the assessment and compilation of intermetallic data, we mention a few examples of papers in which criteria to be followed in order to extract from literature data the best version of a phase diagram have been discussed. These are Morral and Gupta (1991) (a figure of merit for predicted phase diagram), Okamoto and Massalski (1991, 1993) (thermodynamically improbable phase diagrams and guidelines for binary phase diagram assessment). See also various comments in several chapters in Cahn (2001). 

By combining the thermodynamic data with those on the structure of the equilibrium binary phase diagram, R. Pretorius et al 261,262 were able to improve the accuracy of predicting the sequence of compound-layer formation in the transition metal-aluminium systems. For this, they used the values of the standard enthalpies (heats) of formation of the compounds. 

Equation 5.7 [10], where do, d[, 62 and d3 are fitting parameters, and d>B is the volume fraction of Component B, can produce all of the binary phase diagram types shown in Figure 5.1, when used either to lit experimental data in the context of the Flory-Huggins theory of thermodynamics or to express interaction energies calculated by atomistic simulations in a convenient manner as a function of the temperature and the component volume fractions. 

The thermodynamic assessment of the binary phase diagram is in good agreement with experimental data [31, 32]. 

Schematic derivation of the size-dependent FeP04-LiFeP04 binary phase diagram using the XRD data for Lio.6FeP04 is illustrated in Fig. 14.5, which highlights the fact that the solid solubility limits a, jS, in LiaFeP04, and Lii FeP04 systematically increases along with the reduction in particle size. Most probably, these systematic variations originate from the elastic thermodynamic effects on the...

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