MétaCan
Menu
Back to cohort
Record W4396768796 · doi:10.26434/chemrxiv-2024-966z4

Highly soluble viologen-PEG conjugates for aqueous organic redox flow batteries

2024· preprint· en· W4396768796 on OpenAlexafffund
Alizée Débiais, Calvine Lai, Thomas Boulanger, Guillaume Reynard, Louis Hamlet, Simon Généreux, Mick Vaillancourt, Radu Iftimie, H. Lebel, Dominic Rochefort

Bibliographic record

VenueChemRxiv · 2024
Typepreprint
Languageen
FieldEngineering
TopicAdvanced battery technologies research
Canadian institutionsUniversité de Montréal
FundersNatural Sciences and Engineering Research Council of CanadaCentre in Green Chemistry and Catalysis
KeywordsViologenRedoxPEG ratioConjugateAqueous solutionChemistryCombinatorial chemistryOrganic chemistryBusiness

Abstract

fetched live from OpenAlex

Aqueous organic redox flow batteries (AORFBs) are a promising solution for the large-scale storage of renewable energy. These systems store electricity via electrochemically active organic molecules in an aqueous solvent, which offers superior safety and renewability compared to organic solvents. Furthermore, AORFBs provide a cost-effective alternative to aqueous vanadium-based redox flow batteries. However, designing molecules with adequate electrochemical properties that are also soluble in water and stable during long-term cycling remains a challenge. In this study, we investigate the impact of PEGylation as a potential solution to address these issues. A simple and efficient synthetic approach was used to prepare PEG-containing viologens, with different chain lengths, counterions and symmetries. Their physical and electrochemical properties, including solubility, viscosity, redox potential and heterogeneous electron transfer rate constant, were studied. The results demonstrate that PEG chains enhance solubility in water, and that the chloride counterion increases solubility by 25% compared to the tosylate counterion. None of the studied modifications had a significant impact on the electrochemical properties, demonstrating the usefulness of N-substitution in tuning the solubility without compromising the use of the viologens as negolytes. Although asymmetric derivatives yielded higher solubilities (up to 2.7 M), the most stable organic negolyte under cycling conditions at high concentration (1 M) was a symmetric viologen containing two PEG units (12 days with 0.29% of capacity loss per day). Therefore, the PEGylation of organic molecules represents a valuable approach to improving the aqueous solubility of electrolytes for use in aqueous organic redox flow batteries.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.145
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.002
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.018
GPT teacher head0.262
Teacher spread0.244 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations2
Published2024
Admission routes2
Has abstractyes

Explore more

Same venueChemRxivSame topicAdvanced battery technologies researchFrench-language works237,207