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Record W2042351068 · doi:10.1063/1.481535

Forces between like-charged walls in electrolyte solution: Molecular solvent effects at the McMillan–Mayer level

2000· article· en· W2042351068 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.

Bibliographic record

VenueThe Journal of Chemical Physics · 2000
Typearticle
Languageen
FieldChemistry
TopicElectrostatics and Colloid Interactions
Canadian institutionsUniversity of British Columbia
Fundersnot available
KeywordsCounterionElectrolyteSolventAnisotropyChemistrySolvent effectsChemical physicsIonDielectricThermodynamicsPotential of mean forceDivalentIonic bondingComputational chemistryPhysicsPhysical chemistryMolecular dynamicsQuantum mechanicsOrganic chemistry

Abstract

fetched live from OpenAlex

The force between two like-charged walls immersed in electrolyte solution is obtained for models that include solvent effects at the McMillan–Mayer (MM) level. In these models the solvent is not represented by discrete particles but exerts its influence through solvent-averaged ion–ion potentials of mean force which serve as effective potentials. This simplification allows the numerical solution of accurate anisotropic integral equation theories, and the anisotropic hypernetted-chain (AHNC) approximation is used in the present calculations. It is shown that the MM results may differ significantly from those of the primitive model (PM) which treats the solvent as a dielectric continuum. Most interestingly, we find that at the MM level the force between like-charged walls at small separations and with realistic surface charges can be attractive for monovalent counterions. This attraction is due to solvent effects on the effective counterion–counterion interaction and not to the correlated charge fluctuations that give rise to the attractions found for divalent counterions in the PM case. The possible relevance of our observations in the interpretation of experimental force measurements is briefly discussed.

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 categoriesnone
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 score0.007
Threshold uncertainty score0.413

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 studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
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 head0.011
GPT teacher head0.245
Teacher spread0.234 · 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