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Record W4233583350 · doi:10.26434/chemrxiv.13296587

The Role of Ions on the Surface-Bound Water Structure at the Silica/Water Interface: Identifying the Spectral Signature of Stability

2020· preprint· en· W4233583350 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueChemRxiv · 2020
Typepreprint
Languageen
FieldPhysics and Astronomy
TopicSpectroscopy and Quantum Chemical Studies
Canadian institutionsUniversity of Alberta
FundersUniversity of AlbertaNatural Sciences and Engineering Research Council of CanadaNorthwestern UniversityTechnische Universität MünchenAlfred P. Sloan Foundation
KeywordsIonic strengthMetastabilityZeta potentialIonIonic bondingSurface chargeAnalytical Chemistry (journal)ChemistrySum-frequency generationAdsorptionPoint of zero chargeChemical physicsNanometreMaterials scienceOpticsNanotechnologyAqueous solutionPhysicsNonlinear opticsPhysical chemistryNanoparticle

Abstract

fetched live from OpenAlex

We explore the influence of salt addition on the structure of water interacting closely with a charged silica surface. Isolating these surface effects is challenging, even with surface-specific techniques like sum frequency generation (SFG), because of the presence of aligned water nanometers to microns away from the charged silica. Here we combine zeta potential and SFG intensity measurements with the maximum entropy method and reported heterodyne second harmonic and sum frequency generation results to deconvolute from the total signal intensity the SFG spectral contributions of the waters adjacent to the surface. Deconvolution reveals that at very low ionic strength the surface water structure is similar to that of a neutral silica surface near the point of zero charge with waters oriented in opposite directions. This result suggests the known metastability of silica near the PZC and the stability of silica in low ionic strength solutions may originate from the same source, these oppositely oriented surface-bound waters. Orientation changes are induced upon adding salt, which lead to a decrease in the total amount of aligned water at the surface.

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.

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 categoriesInsufficient payload (model declined to judge)
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 score0.067
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0010.001
Scholarly communication0.0000.000
Open science0.0010.002
Research integrity0.0000.002
Insufficient payload (model declined to judge)0.0010.000

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 head0.020
GPT teacher head0.263
Teacher spread0.243 · 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