Modelling of phase equilibria in metal–hydrogen systems

Lototsky, M.V.; Yartys, V.A.; Marinin, V. S.; Lototsky, N. M.

doi:10.1016/s0925-8388(03)00095-1

Cited by 66 publications

(48 citation statements)

References 7 publications

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“…The agreement between the predicted P-C isotherms and the measurements is similar in quality to former results from Lototsky et al [61,62]. In general terms, the Lacher-Lototsky model has provided a similar tendency in comparison with the experimental P-C-T curves.…”

Section: Lacher-lototsky Modelsupporting

confidence: 87%

Modelling and analysis of a metal hydride cooling system

Herrero¹

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The work which is presented by J. Payá Herrero, titled "Modelling and analysis of a metal hydride cooling system" has been carried out at the Institute for Energy Engineering under my supervision and assessment.As the modelling and experimental objectives have been reached, I authorise the submission of this PhD work for its evaluation by the corresponding examination board. This PhD thesis consists in the modelling and validation of a metal hydride cooling system. The experimental prototype is located in the institute IKE.In the first place, the hydrogen absorbing materials have been characterized in terms of the static P-C-T properties and of the intrinsic reaction kinetics. In the second place, after this first characterization phase, a completely dynamic model has been developed based on the heat and mass transfer processes which take place in the reactors. The results have been validated with an exhaustive experimental campaign of dynamic cooling tests and the adjustment of the model is very good.Finally, the cooling performance of the system has been improved by means of the model which has enabled the optimization of the operating conditions and of the sorption materials. El presente estudio consiste en el modelado y validación de un sistema de producción de frío basado en la absorción/desorción de hidrógeno en metales.La instalación experimental que se ha modelado se halla en el instituto IKE.En primer lugar, los materiales utilizados se han caracterizado tanto desde el punto de vista de las curvas P-C-T de equilibrio como de la cinética de absorción/desorción de cada aleación. En segundo lugar, se ha desarrollado un modelo completamente dinámico basado en las reacciones de transferencia de calor y masa que ocurren en los reactores. Los resultados se han validado con una amplia gama de medidas de IKE en régimen transitorio, obteniendo un ajuste muy bueno para diferentes ensayos.Finalmente, mediante la utilización del modelo, se han optimizado las condiciones de operación y las propiedades de los materiales, alcanzando así mejores prestaciones en refrigeración.

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Section: Lacher-lototsky Modelsupporting

confidence: 87%

Modelling and analysis of a metal hydride cooling system

Herrero¹

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“…However, this model demonstrates a poor fit between the experimental and simulation results. The model of Lototsky et al 16 is based on the work described by Lacher. 14 The authors took into account the asymmetry of the plateau region.…”

Section: Introductionmentioning

confidence: 99%

Modeling of hydrogen storage in hydride-forming materials: Statistical thermodynamics

Ledovskikh

Danilov²,

Rey³

et al. 2006

Phys. Rev. B

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A new lattice gas model has been developed, describing the hydrogen storage in hydride-forming materials. This model is based on the mean-field theory and Bragg-Williams approximation. To describe first-order phase transitions and two-phase coexistence regions, a binary alloy approach has been adopted. A complete set of equations describing pressure-composition isotherms and equilibrium electrode potential curves of hydride forming materials in both solid-solution and two-phase coexistence regions has been set up. The proposed model defines both the equilibrium pressure and equilibrium potential as explicit functions of the normalized hydrogen concentration, using eight physically well-defined parameters. Gibbs free energies, entropies, and phase diagrams of both model ͑LaNi y Cu 1.0 ͒ and commercial, MischMetal-based, AB 5 -type materials at different compositions and temperatures have been simulated. Good agreement between experimental and theoretical results for the pressure-composition isotherms obtained in the gas phase and the equilibrium potential curves measured in electrochemical environment has been found in all cases.

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“…Most of these models employ methods of statistical mechanics. This approach allows obtaining macroscopic characteristics from a microscopic description of the system [5][6][7][8][9][10][11][12]. Also, there are a few papers investigating hydrogen storage systems by considering absorption/desorption kinetics [13,14].…”

Section: Introductionmentioning

confidence: 99%

Thermodynamical Modeling of P-C Isotherms for Metal Hydride Materials

Tserolas¹,

Katagiri²,

Onodera³

et al. 2010

Trans. Mat. Res. Soc. Japan

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It is generally accepted that under ordinary conditions adopted for the study of metal-hydrogen (M-H) compounds: a) hydrogen can be described reasonably well as an ideal gas, b) the distribution of hydrogen atoms over the different sites of the lattice can be expressed by the Fermi-Dirac statistics, c) the average hydrogen-hydrogen interaction energy which is a function of the number of H-atoms in the lattice includes all the contributions coming from the electrons and the lattice. By considering all the above approximations we have derived a relation between the pressure of gaseous hydrogen and the number of hydrogen atoms in the bulk. The PCIs were obtained by calculating the standard chemical potential for an ideal gas from statistical mechanics and optimizing the other free parameters from the experimental PCIs data at one temperature. We were able to closely predict the PCIs at other temperatures when they were compared with the experimentally obtained PCIs for various RNi 5 -type hydrogen storage materials.

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Modelling of phase equilibria in metal–hydrogen systems

Cited by 66 publications

References 7 publications

Modelling and analysis of a metal hydride cooling system

Modelling and analysis of a metal hydride cooling system

Modeling of hydrogen storage in hydride-forming materials: Statistical thermodynamics

Thermodynamical Modeling of P-C Isotherms for Metal Hydride Materials

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