Strategies and new developments in the field of molten carbonates and high-temperature fuel cells in the carbon cycle

Cassir, M.; McPhail, Stephen J.; Moreno, Anna Maria Coves

doi:10.1016/j.ijhydene.2011.11.006

Cited by 66 publications

(38 citation statements)

References 34 publications

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“…In economic terms, however, the brightest outlook for carbonate technologies concerns electrochemistry, with applications in molten carbonate fuel cells (MCFC) 12,13,50,51 and in high capacity rechargeable batteries. 14 Molten carbonate fuel cells, moreover, can be coupled to CO 2 capture and sequestration stages, 15,16 enhancing the efficiency and the environmental appeal of these devices.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulations of Metal/Molten Alkali Carbonate Interfaces

et al. 2017

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Interfaces between molten carbonates M 2 CO 3 (M=Li, Na and K) and planar metal walls have been investigated by molecular dynamics based on a rigid-ions force field (Janssen and Tissen, Mol. Simul. 5, 83-98, (1990)). Simulations cover the temperature range 1200 K ≤ T ≤ 1500 K at a moderate (∼ 15 kbar) overpressure to compensate for a slight overestimate of the system volume by the force field model. Most of the simulations represent neutral electrodes, but shorter computations have been carried out for systems with a low surface charge distribution on the metal side of the interface. The results provide an intriguing view of the interplay among ion packing, oscillating screening, anisotropic correlations and ion dynamics at the interface. The mass and charge density profiles display prominent peaks at contact, and tend to their constant bulk values through several oscillations, whose amplitude decays exponentially moving away from the interface.Oscillations in the charge density profile, in particular, limit the value of the interfacial dipole, and increase the capacitance of the interface. Ion-ion correlations are enhanced in proximity of the metal surface, but retain the exponentially-decaying oscillatory form of their bulk counterpart.Diffusion is slower in the molecularly thin layer of ions next to the interface than in the bulk.The analysis of interfaces is completed by the computation of structural properties of bulk phases, and by the estimate of transport coefficients such as self-diffusion, electrical conductivity, and especially thermal conductivity, which is seldom computed by simulation. All together, the results of our simulations for homogeneous and inhomogeneous molten carbonates provide crucial insight on systems and properties relevant for advanced devices such as fuel cells, that, in turn, might play a prominent role in future power generation strategies.

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Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulations of Metal/Molten Alkali Carbonate Interfaces

et al. 2017

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“…The flue gases emitted from a DCFC consist mostly of concentrated CO 2 , which can be stored in geological formations without very expensive separation. Finally, a wide variety of carbonaceous fuels can be used to feed DCFCs, including fossil coal, plastic waste, biomass, and many others [5,6]. Various types of DCFCs have been investigated recently.…”

Section: Introductionmentioning

confidence: 99%

Effect of structural properties of carbon-based fuels on efficiency of direct carbon fuel cells

Dudek

Sitarz

Tomczyk

2014

J Solid State Electrochem

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This research is focused on the effect of supplying solid oxide fuel cells with different graphite and carbon black powders on the cells' efficiency. Before being tested in the fuel cell, the structures of carbon-based fuels were characterized by X-ray diffraction analysis, Raman spectroscopy, scanning electron microscopy, and thermal analysis method (DTA/TG). Total electrical conductivity measurements were also carried out for carbon samples. The relation between the structure and morphology of solid particles and their performance in direct carbon solid oxide fuel cells (DC-SOFC) was presented and discussed. It was found that structurally disordered carbon-based materials are the most promising fuels for oxidation in DC-SOFCs.

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“…Improved long-term stability of MCFC electrodes, either obtained from new combinations of materials or from tuned electrolyte composition, is quite important (Cassir et al, 2012;Kulkarni and Giddey, 2012). In fact, while several alloys, coatings or even entire ceramic electrodes might demonstrate significant endurance, the adjustment of the acidicbasic characteristics of the molten carbonates (with additives) has a huge influence on the stability of electrode materials.…”

Section: Figure 3 | Coexisting Fuel Cell Systems As a Function Of Powmentioning

confidence: 99%

Grand Challenges in Fuel Cells: Materials Issues at all Length Scales

Marques

2013

Front. Energy Res.

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Strategies and new developments in the field of molten carbonates and high-temperature fuel cells in the carbon cycle

Cited by 66 publications

References 34 publications

Molecular Dynamics Simulations of Metal/Molten Alkali Carbonate Interfaces

Molecular Dynamics Simulations of Metal/Molten Alkali Carbonate Interfaces

Effect of structural properties of carbon-based fuels on efficiency of direct carbon fuel cells

Grand Challenges in Fuel Cells: Materials Issues at all Length Scales

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