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Malavasi L.,CNR Institute for Energetics and Interphases
Dalton Transactions | Year: 2011

In this Perspective article we give an account of the application of total scattering methods and pair distribution function (PDF) analysis to the investigation of materials for clean energy applications such as materials for solid oxide fuel cells and lithium batteries, in order to show the power of this technique in providing new insights into the structure-property correlation in this class of materials. © 2011 The Royal Society of Chemistry.


Novakovic R.,CNR Institute for Energetics and Interphases
Journal of Non-Crystalline Solids | Year: 2010

The energetics of mixing in Al-Nb and Nb-Ti liquid alloys have been analysed through the study of surface properties (surface tension and surface segregation), dynamic properties (chemical diffusion) and microscopic functions (concentration fluctuations in the long-wavelength limit and chemical short-range order parameter) in the frame of statistical mechanical theory in conjunction with quasi-lattice theory (QLT). The phase diagram of the Al-Nb system exhibits three intermetallic compounds in the solid state, while a relatively simple phase diagram of the Nb-Ti system indicates nearly ideal mixing behaviour in the liquid phase and two stable solid phases. Since the structure of a liquid alloy is in some respects similar to that of a crystal, the complex formation phenomenon in Al-Nb melts has been analysed by a quasi-lattice structural model for chemical complexes. The energetics and structural arrangement in Nb-Ti melts have been studied by the quasi-chemical approximation (QCA) for the regular solution model. © 2010 Elsevier B.V. All rights reserved.


Maestro A.,University of Cambridge | Guzman E.,CNR Institute for Energetics and Interphases | Ortega F.,Complutense University of Madrid | Rubio R.G.,Complutense University of Madrid
Current Opinion in Colloid and Interface Science | Year: 2014

The contact angle of particles attached to fluid interfaces plays a key role in many scientific and technological aspects of particle-laden layers. In spite of the recognized importance, the laws that govern this property are still poorly understood. The main problem associated with the study of this property is that multiple variables are involved in the wetting process of particles by fluid interfaces. Such variables are associated with the chemical nature of both the particles and the fluid phases, and with the particle's size. Understanding of the different aspects controlling the contact angle of particles is a physico-chemical challenge, and is very important because of the many technological aspects in which particle laden interfaces are involved. This review discusses the current status and the aspects to be dealt with in the near future in the study of the contact angle of particles attached to fluid interfaces. © 2014 Elsevier Ltd.


Novakovic R.,CNR Institute for Energetics and Interphases
Journal of Physics Condensed Matter | Year: 2011

The energetics of mixing and structural arrangement in liquid Al-Cr and Cr-Ni alloys has been analysed through the study of surface properties (surface tension and surface segregation), dynamic properties (chemical diffusion) and microscopic functions (concentration fluctuations in the long-wavelength limit and chemical short-range order parameter) in the framework of statistical mechanical theory in conjunction with quasi-lattice theory. The Al-Cr phase diagram exhibits the existence of different intermetallic compounds in the solid state, while that of Cr-Ni is a simple eutectic-type phase diagram at high temperatures and includes the low-temperature peritectoid reaction in the range near a CrNi2 composition. Accordingly, the mixing behaviour in Al-Cr and Cr-Ni alloy melts was studied using the complex formation model in the weak interaction approximation and by postulating Al8Cr5 and CrNi2 chemical complexes, respectively, as energetically favoured. © 2011 IOP Publishing Ltd.


Agresti F.,CNR Institute for Energetics and Interphases
Thermochimica Acta | Year: 2013

In this paper a generalization of the Kissinger equation for solid-gas heterogeneous transformations in the presence of a non-zero partial pressure is proposed, taking into account both thermodynamics and kinetics. A mathematical derivation of the extended equation obtained by incorporating a thermodynamic driving force factor into the rate equation is reported. The proposed method is applicable to the non-isothermal (isochronous) determination of the decomposition apparent activation energy of solids leading to the reversible evolution of gas in near equilibrium conditions. The proposed equation could be particularly useful when the experimental conditions used for the kinetic investigations do not allow to keep the system far from equilibrium during the whole experiment, e.g. in the case a volumetric device is employed to track the extent of reaction. © 2013 Elsevier B.V. All rights reserved.

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