Validation of a lattice Boltzmann model for gas-solid reactions with experiments

A lattice Boltzmann method is used to model gas-solid reactions where the composition of both the gas and solid phase changes with time, while the boundary between phases remains fixed. The flow of the bulk gas phase is treated using a multiple relaxation time MRT D3Q19 model; the dilute reactant is treated as a passive scalar using a single relaxation time BGK D3Q7 model with distinct inter- and intraparticle diffusivities. A first-order reaction is incorporated by modifying the method of Sullivan et al. [13] to include the conversion of a solid reactant. The detailed computational model is able to capture the multiscale physics encountered in reactor systems. Specifically, the model reproduced steady state analytical solutions for the reaction of a porous catalyst sphere (pore scale) and empirical solutions for mass transfer to the surface of a sphere at Re=10 (particle scale). Excellent quantitative agreement between the model and experiments for the transient reduction of a single, porous sphere of Fe 2O 3 to Fe 3O 4 in CO at 1023K and 10 5Pa is demonstrated. Model solutions for the reduction of a packed bed of Fe 2O 3 (reactor scale) at identical conditions approached those of experiments after 25 s, but required prohibitively long processor times. The presented lattice Boltzmann model resolved successfully mass transport at the pore, particle and reactor scales and highlights the relevance of LB methods for modelling convection, diffusion and reaction physics. © 2012 Elsevier Inc.

Fertile-free fuels in pressurized water reactors: Design challenges and solutions

This paper investigates the basic feasibility of using reactor-grade Pu in fertile-free fuel (FFF) matrix in pressurized water reactors (PWRs). Several important issues were investigated in this work: the Pu loading required to achieve a specific interrefueling interval, the impact of inert matrix composition on reactivity constrained length of cycle, and the potential of utilizing burnable poisons (BPs) to alleviate degradation of the reactivity control mechanism and temperature coefficients. Although the subject was addressed in the past, no systematic approach for assessment of BP utilization in FFF cores was published. In this work, we examine all commercially available BP materials in all geometrical arrangements currently used by the nuclear industry with regards to their potential to alleviate the problems associated with the use of FFF in PWRs. The recently proposed MgO-ZrO2 solid-state solution fuel matrix, which appears to be very promising in terms of thermal properties and radiation damage resistance, was used as a reference matrix material in this work. The neutronic impact of the relative amounts of MgO and ZrO2 in the matrix were also studied. The analysis was performed with a neutron transport and fuel assembly burnup code BOXER. A modified linear reactivity model was applied to the two-dimensional single fuel assembly results to approximate the full core characteristics. Based on the results of the performed analyses, the Pu-loaded FFF core demonstrated potential feasibility to be used in existing PWRs. Major FFF core design problems may be significantly mitigated through the correct choice of BP design. It was found that a combination of BP materials and geometries may be required to meet all FFF design goals. The use of enriched (in most effective isotope) BPs, such as 167Er and 157Gd, may further improve the BP effectiveness and reduce the fuel cycle length penalty associated with their use.

Hierarchically structured nanocarbon electrodes for flexible solid lithium batteries

The ever increasing demand for storage of electrical energy in portable electronic devices and electric vehicles is driving technological improvements in rechargeable batteries. Lithium (Li) batteries have many advantages over other rechargeable battery technologies, including high specific energy and energy density, operation over a wide range of temperatures (-40 to 70. °C) and a low self-discharge rate, which translates into a long shelf-life (~10 years) [1]. However, upon release of the first generation of rechargeable Li batteries, explosions related to the shorting of the circuit through Li dendrites bridging the anode and cathode were observed. As a result, Li metal batteries today are generally relegated to non-rechargeable primary battery applications, because the dendritic growth of Li is associated with the charging and discharging process. However, there still remain significant advantages in realizing rechargeable secondary batteries based on Li metal anodes because they possess superior electrical conductivity, higher specific energy and lower heat generation due to lower internal resistance. One of the most practical solutions is to use a solid polymer electrolyte to act as a physical barrier against dendrite growth. This may enable the use of Li metal once again in rechargeable secondary batteries [2]. Here we report a flexible and solid Li battery using a polymer electrolyte with a hierarchical and highly porous nanocarbon electrode comprising aligned multiwalled carbon nanotubes (CNTs) and carbon nanohorns (CNHs). Electrodes with high specific surface area are realized through the combination of CNHs with CNTs and provide a significant performance enhancement to the solid Li battery performance. © 2013 Elsevier Ltd.