Highly resolved numerical simulation of combustion in supersonic hydrogen–air coflowing jets

The present study is focused on the analysis of non-premixed combustion in high-velocity (supersonic) flows. The computations make use of a large eddy simulation (LES) model, which has been recently introduced to address combustion in high Reynolds number turbulent flows featuring moderate Damköhler values. We expect that the corresponding closure is able to account for the specificities encountered in high Mach number turbulent reactive flows featuring chemical reaction time scales with the same order of magnitude as flow time scales. The model takes finite-rate chemistry and micro-mixing effects into account within the framework of the partially stirred reactor (PaSR) concept, it is hereafter denoted by U-PaSR (unsteady partially stirred reactor). (i) In a first step of the present investigation, the capabilities of the U-PaSR closure hence proposed are evaluated through a detailed comparison performed between numerical results and the data obtained from an experimental study devoted to non-premixed combustion in supersonic co-flowing jets of hydrogen and vitiated air. The simulated test case corresponds to a well-documented experimental database that includes Raman scattering and laser-induced pre-dissociative fluorescence measurements. The comparisons performed between computational results and experimental data establish that the physical processes are well-described by the performed simulation. (ii) In a second step of this study, the flame structure and associated stabilization zone are analysed in the light of numerical simulation results. The post-processing to the computational results indeed confirms the importance of self-ignition processes, as well as the relevance of diagnostic tools recently introduced by Boivin et al. [1,2]. Considering the stabilization zone, it also emphasizes the essential importance of the pressure dynamics associated with the discharge of compressible coflowing jets into the atmosphere – an importance that was not so clearly evidenced from previous numerical simulations conducted on the same experimental benchmark.     

Development of a universal modeling tool for rechargeable lithium batteries

An interesting universal modeling tool for rechargeable lithium batteries is presented in this paper. The generic model is based on an equivalent circuit technique commonly used in electrochemical impedance characterization. Therefore, the parameters used in the model can be easily parameterized from the electrochemical impedance derivations, which provide a convenient integration with experimental cell characterizations. Such integration offers the universality in this modeling approach.     

Inductive modeling of lithium-ion cells

Sandia National Laboratories has conducted a sequence of studies on the performance of lithium ion and other types of electrochemical cells using inductive models. The objectives of some of these investigations are: (1) to develop procedures to rapidly determine performance degradation rates while these cells undergo life tests; (2) to model cell voltage and capacity in order to simulate cell output under variable load and temperature conditions; (3) to model rechargeable battery degradation under conditions of cyclic charge/discharge, and many others. Among the uses for the models are: (1) to enable efficient predictions of battery life; (2) to characterize system behavior.

Inductive models seek to characterize system behavior using experimentally or analytically obtained data in an efficient and robust framework that does not require phenomenological development. There are certain advantages to this. Among these advantages is the ability to avoid making measurements of hard to determine physical parameters or having to understand cell processes sufficiently to write mathematical functions describing their behavior. We have used artificial neural networks (ANNs) for inductive modeling, along with ancillary mathematical tools to improve their accuracy.

This paper summarizes efforts to use inductive tools for cell and battery modeling. Examples of numerical results are presented.     

Steam reforming and oxidative steam reforming for hydrogen production from bioethanol over Mg2AlNiXHZOY nano-oxyhydride catalysts

Mg₂AlNi_XH_ZO_Y nano-oxyhydrides formation is evidenced during pre-treatment in H₂ at 450 °C of Mg₂AlNi_XO_Y nano-compounds leading to highly performant catalysts in ethanol conversion and H₂ formation, particularly at low temperature, through catalytic steam reforming (SRE) and oxidative steam reforming (OSRE). Total conversion of ethanol is obtained in SRE and OSRE with high stability. A higher production of H₂ (60 L h^?1 g_cat^?1) can be achieved at a reaction temperature of 300 °C in OSRE conditions compared to SRE (10 L h^?1 g_cat^?1) mainly because of a beneficial use of a high concentration of ethanol (14 mol%) in presence of O₂. Moreover, carbon formation is decreased and a much lower input of energy of 50 °C is used to get a temperature of 300 °C when O₂ is added. Different physico-chemical characterizations and in particular in H₂ (TPR, H₂-XRD, INS) and after tests allow to conclude that the presence of Ni²⁺ cations in strong interaction with other cations, anionic vacancies and hydride species on and inside the solid play an important role in the catalytic performance (conversion and selectivity) and stability.     

Evaluation of commercial lithium-ion cells based on composite positive electrode for plug-in hybrid electric vehicle applications. Part I: Initial characterizations

Evaluating commercial Li-ion batteries presents some unique benefits. One of them is to use cells made from established fabrication process and form factor, such as those offered by the 18650 cylindrical configuration, to provide a common platform to investigate and understand performance deficiency and aging mechanism of target chemistry. Such an approach shall afford us to derive relevant information without influence from processing or form factor variability that may skew our understanding on cell-level issues. A series of 1.9 Ah 18650 lithium ion cells developed by a commercial source using a composite positive electrode comprising {LiMn_1/3Ni_1/3Co_1/3O₂ + LiMn₂O₄} is being used as a platform for the investigation of certain key issues, particularly path-dependent aging and degradation in future plug-in hybrid electric vehicle (PHEV) applications, under the US Department of Energy's Applied Battery Research (ABR) program. Here we report in Part I the initial characterizations of the cell performance and Part II some aspects of cell degradation in 2C cycle aging. The initial characterizations, including cell-to-cell variability, are essential for life cycle performance characterization in the second part of the report when cell-aging phenomena are discussed. Due to the composite nature of the positive electrode, the features (or signature) derived from the incremental capacity (IC) of the cell appear rather complex. In this work, the method to index the observed IC peaks is discussed. Being able to index the IC signature in details is critical for analyzing and identifying degradation mechanism later in the cycle aging study.