IR Spectroscopy as a Method for Online Electrolyte State Assessment in RFBs

Abstract The transition from fossil to renewable energy sources requires adequate storage technologies due to the intermittency of the supplied energy. With respect to this, organic redox‐flow batteries (ORFBs) represent a promising concept for the storage of electricity on a large scale at economically justifiable costs. However, these storage technologies can only be operated reliably if parameters representing the actual condition of the storage medium (i.e., the electrolyte) can be accurately assessed. These so‐called electrolyte state variables are represented by two key figures of merit: state of charge (SOC), a measure of the amount of charge that the electrolyte currently holds; and state of health (SOH), representing the amount of charge that the electrolyte is able to store given its current condition. The herein presented IR‐based approach is able to simultaneously provide reliable, fast, accurate, and precise estimates for both SOC and SOH parameters at any point in time and independent of the current battery status. The method is able to provide a time resolution in the range of minutes, is independent of the electrolyte temperature and can be applied to nearly all organic‐based redox‐active materials and solvents, while potentially being applicable to inorganic RFBs, such as vanadium‐based systems, as well.Redox‐flow batteries (RFBs) provide a unique and scalable storage solution for green energy. However, they can only be operated safely when parameters representing the battery state are precisely known at any point in time. The presented IR‐spectroscopic method is able to generate accurate and precise estimates for the crucial State‐of‐Charge and State‐of‐Health variables of RFB electrolytes. imag

State of charge and state of health assessment of viologens in aqueous-organic redox-flow electrolytes using in situ IR spectroscopy and multivariate curve resolution

Aqueous-organic redox flow batteries (RFBs) have gained considerable interest in recent years, given their potential for an economically viable energy storage at large scale. This, however, strongly depends on both the robustness of the underlying electrolyte chemistry against molecular decomposition reactions as well as the device's operation. With regard to this, the presented study focuses on the use of in situ IR spectroscopy in combination with a multivariate curve resolution approach to gain insight into both the molecular structures of the active materials present within the electrolyte as well as crucial electrolyte state parameters, represented by the electrolyte's state of charge (SOC) and state of health (SOH). To demonstrate the general applicability of the approach, methyl viologen (MV) and bis(3-trimethylammonium)propyl viologen (BTMAPV) are chosen, as viologens are frequently used as negolytes in aqueous-organic RFBs. The study's findings highlight the impact of in situ spectroscopy and spectral deconvolution tools on the precision of the obtainable SOC and SOH values. Furthermore, the study indicates the occurrence of multiple viologen dimers, which possibly influence the electrolyte lifetime and charging characteristics

Three-body structure of low-lying 18Ne states

We investigate to what extent 18Ne can be descibed as a three-body system made of an inert 16O-core and two protons. We compare to experimental data and occasionally to shell model results. We obtain three-body wave functions with the hyperspherical adiabatic expansion method. We study the spectrum of 18Ne, the structure of the different states and the predominant transition strengths. Two 0+, two 2+, and one 4+ bound states are found where they are all known experimentally. Also one 3+ close to threshold is found and several negative parity states, 1-, 3-, 0-, 2-, most of them bound with respect to the 16O excited 3- state. The structures are extracted as partial wave components, as spatial sizes of matter and charge, and as probability distributions. Electromagnetic decay rates are calculated for these states. The dominating decay mode for the bound states is E2 and occasionally also M1.Comment: 17 pages, 5 figures (version to appear in EPJA

Identification of genetic variants associated with Huntington's disease progression: a genome-wide association study

Background Huntington's disease is caused by a CAG repeat expansion in the huntingtin gene, HTT. Age at onset has been used as a quantitative phenotype in genetic analysis looking for Huntington's disease modifiers, but is hard to define and not always available. Therefore, we aimed to generate a novel measure of disease progression and to identify genetic markers associated with this progression measure. Methods We generated a progression score on the basis of principal component analysis of prospectively acquired longitudinal changes in motor, cognitive, and imaging measures in the 218 indivduals in the TRACK-HD cohort of Huntington's disease gene mutation carriers (data collected 2008–11). We generated a parallel progression score using data from 1773 previously genotyped participants from the European Huntington's Disease Network REGISTRY study of Huntington's disease mutation carriers (data collected 2003–13). We did a genome-wide association analyses in terms of progression for 216 TRACK-HD participants and 1773 REGISTRY participants, then a meta-analysis of these results was undertaken. Findings Longitudinal motor, cognitive, and imaging scores were correlated with each other in TRACK-HD participants, justifying use of a single, cross-domain measure of disease progression in both studies. The TRACK-HD and REGISTRY progression measures were correlated with each other (r=0·674), and with age at onset (TRACK-HD, r=0·315; REGISTRY, r=0·234). The meta-analysis of progression in TRACK-HD and REGISTRY gave a genome-wide significant signal (p=1·12 × 10−10) on chromosome 5 spanning three genes: MSH3, DHFR, and MTRNR2L2. The genes in this locus were associated with progression in TRACK-HD (MSH3 p=2·94 × 10−8 DHFR p=8·37 × 10−7 MTRNR2L2 p=2·15 × 10−9) and to a lesser extent in REGISTRY (MSH3 p=9·36 × 10−4 DHFR p=8·45 × 10−4 MTRNR2L2 p=1·20 × 10−3). The lead single nucleotide polymorphism (SNP) in TRACK-HD (rs557874766) was genome-wide significant in the meta-analysis (p=1·58 × 10−8), and encodes an aminoacid change (Pro67Ala) in MSH3. In TRACK-HD, each copy of the minor allele at this SNP was associated with a 0·4 units per year (95% CI 0·16–0·66) reduction in the rate of change of the Unified Huntington's Disease Rating Scale (UHDRS) Total Motor Score, and a reduction of 0·12 units per year (95% CI 0·06–0·18) in the rate of change of UHDRS Total Functional Capacity score. These associations remained significant after adjusting for age of onset. Interpretation The multidomain progression measure in TRACK-HD was associated with a functional variant that was genome-wide significant in our meta-analysis. The association in only 216 participants implies that the progression measure is a sensitive reflection of disease burden, that the effect size at this locus is large, or both. Knockout of Msh3 reduces somatic expansion in Huntington's disease mouse models, suggesting this mechanism as an area for future therapeutic investigation