scholarly journals Microkinetic Modeling of CO2 and H2O Electrolysis on Ni in a Solid Oxide Electrolysis Cell: A Critical Evaluation

2021 ◽  
Author(s):  
Vinod Janardhanan
Keyword(s):  
Kinetic Model ◽  
Model Development ◽  
Critical Evaluation ◽  
Mean Field ◽  
Field Approximation ◽  
Solid Oxide ◽  
Mean Field Approximation ◽  
Electrolysis Cell ◽  
Catalytic Chemistry ◽  
Electrochemical Model

Abstract Solid oxide cells (SOC) are ideal candidates for the electrochemical conversion of H2O and CO2 into H2 and CO using renewable sources. This work develops different electrochemical models for the reduction of H2O and CO2 based on elementary step kinetics and discriminates them based on their ability to predict experimentally measured cell performances. The thermo-catalytic chemistry is represented using a micro kinetic model, which is coupled to the electrochemical model through the surface coverage terms. A one dimensional representation of SOC resolving the cell across the thickness of the electrodes is used for simulations. The source terms for the species transport equations are calculated using the micro kinetic model by applying mean field approximation. The discussion in the paper covers aspects related to parameter fitting, model development, solution methodology, model discrimination and identification of rate limiting step.

The Determination of the Magnetoelectric Coupling Coefficient in Ferroelectric–Ferromagnetic Composite Based on PZT–Ferrite

2013 ◽  
Vol 58 (4) ◽  
pp. 1401-1403 ◽  
Author(s):  
J.A. Bartkowska ◽  
R. Zachariasz ◽  
D. Bochenek ◽  
J. Ilczuk
Keyword(s):  
Dielectric Permittivity ◽  
Coupling Coefficient ◽  
Mean Field ◽  
Field Approximation ◽  
Theoretical Description ◽  
Magnetoelectric Coupling ◽  
Mean Field Approximation ◽  
Dielectric Measurements ◽  
Temperature Dependences ◽  
Multiferroic Composite

Abstract In the present work, the magnetoelectric coupling coefficient, from the temperature dependences of the dielectric permittivity for the multiferroic composite was determined. The research material was ferroelectric-ferromagnetic composite on the based PZT and ferrite. We investigated the temperature dependences of the dielectric permittivity (") for the different frequency of measurement’s field. From the dielectric measurements we determined the temperature of phase transition from ferroelectric to paraelectric phase. For the theoretical description of the temperature dependence of the dielectric constant, the Hamiltonian of Alcantara, Gehring and Janssen was used. To investigate the dielectric properties of the multiferroic composite this Hamiltonian was expressed under the mean-field approximation. Based on dielectric measurements and theoretical considerations, the values of the magnetoelectric coupling coefficient were specified.

scholarly journals Hexagonal-Shaped Spin Crossover Nanoparticles Studied by Ising-Like Model Solved by Local Mean Field Approximation

2021 ◽  
Vol 7 (5) ◽  
pp. 69
Author(s):  
Catherine Cazelles ◽  
Jorge Linares ◽  
Mamadou Ndiaye ◽  
Pierre-Richard Dahoo ◽  
Kamel Boukheddaden
Keyword(s):  
Spin Crossover ◽  
Hexagonal Lattice ◽  
Mean Field ◽  
Field Approximation ◽  
Mean Field Approximation ◽  
Ligand Field ◽  
Order And Disorder ◽  
The Matrix ◽  
Local Mean ◽  
Parameter Values

The properties of spin crossover (SCO) nanoparticles were studied for five 2D hexagonal lattice structures of increasing sizes embedded in a matrix, thus affecting the thermal properties of the SCO region. These effects were modeled using the Ising-like model in the framework of local mean field approximation (LMFA). The systematic combined effect of the different types of couplings, consisting of (i) bulk short- and long-range interactions and (ii) edge and corner interactions at the surface mediated by the matrix environment, were investigated by using parameter values typical of SCO complexes. Gradual two and three hysteretic transition curves from the LS to HS states were obtained. The results were interpreted in terms of the competition between the structure-dependent order and disorder temperatures (TO.D.) of internal coupling origin and the ligand field-dependent equilibrium temperatures (Teq) of external origin.

Geometrical and Transport Properties of Disordered Fibre Networks: Analytical Results

1997 ◽  
Vol 11 (20) ◽  
pp. 867-875 ◽  
Author(s):  
A. A. Rodríaguez ◽  
E. Medina
Keyword(s):  
Probability Distribution ◽  
Transport Properties ◽  
Geometrical Structure ◽  
Mean Field ◽  
Field Approximation ◽  
Mean Field Approximation ◽  
Fracture Networks ◽  
Simplified Models ◽  
Fibre Density ◽  
Line Network

We study novel geometrical and transport properties of a 2D model of disordered fibre networks. To assess the geometrical structure we determine, analytically, the probability distribution for the number of fibre intersections and resulting segment sizes in the network as a function of fibre density and length. We also determine, numerically, the probability distribution of pore perimeters and areas. We find a non-monotonous behavior of the perimeter distribution whose main features can be explained by solving for two simplified models of the line network. Finally we formulate a mean field approximation to conduction, above the percolation threshold, using the derived results. Relevance of the results to fracture networks will be discussed.

The gas-liquid surface of the penetrable sphere model. II

1978 ◽  
Vol 358 (1694) ◽  
pp. 267-280 ◽  
Keyword(s):  
Surface Tension ◽  
Correlation Function ◽  
Liquid Surface ◽  
Mean Field ◽  
Field Approximation ◽  
Mean Field Approximation ◽  
Intermolecular Potential ◽  
Direct Correlation Function ◽  
Sphere Model ◽  
One Dimensional

The direct correlation function between two points in the gas-liquid surface of the penetrable sphere model is obtained in a mean-field approximation. This function is used to show explicitly that three apparently different ways of calculating the surface tension all lead to the same result. They are (1) from the virial of the intermolecular potential, (2) from the direct correlation function, and (3) from the energy density. The equality of (1) and (2) is shown analytically at all temperatures 0 < T < T c where T c is the critical temperature; the equality of (2) and (3) is shown analytically for T ≈ T c , and by numerical integration at lower temperatures. The equality of (2) and (3) is shown analytically at all temperatures for a one-dimensional potential.

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