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Record W4292100007 · doi:10.26434/chemrxiv-2022-5v7rt

The characteristic curvature (Cc) definition and its use in assessing Cc for single ionic surfactants

2022· preprint· en· W4292100007 on OpenAlexafffund
Zhuotao Leng, Edgar Acosta

Bibliographic record

VenueChemRxiv · 2022
Typepreprint
Languageen
FieldChemistry
TopicSurfactants and Colloidal Systems
Canadian institutionsUniversity of Toronto
FundersNatural Sciences and Engineering Research Council of CanadaUniversity of Toronto
KeywordsCurvaturePulmonary surfactantThermodynamicsChemistryInterpretation (philosophy)Ionic bondingSalinityMathematicsOrganic chemistryPhysicsIonGeologyGeometryComputer science

Abstract

fetched live from OpenAlex

The Hydrophilic-Lipophilic-Difference (HLD) is a set of empirical equations that correlate the formulation conditions at phase inversion (HLD=0). Based on partition studies for nonionic surfactants, the HLD can be interpreted as a normalized chemical potential difference between the surfactant dissolved in water and oil. The Net-Average Curvature (NAC) model extrapolates this interpretation into a curvature form that has been used to fit and predict the phase behavior of surfactant-oil-water (SOW) systems. The curvature interpretation of HLD led to the renaming of the HLD surfactant parameter, sigma (σ), as the characteristic curvature (Cc). This work addresses two concerns around this interpretation; first, for ionic surfactants, an HLD≠0 value for one surfactant might not mean the same for another (breaking the chemical potential interpretation), and second, the Cc interpretation has not been demonstrated. To this end, the net curvature (Hn) of six anionic and two cationic surfactants was evaluated (individually) from solubilization data at the characteristic condition of 25°C, no added cosolvent, in the presence of an oil mixture with equivalent alkane carbon number (EACN) of zero, and as a function of salinity. These studies showed that, indeed, the original HLD equation for ionic surfactant could not be interpreted as chemical potential or curvature because a salinity prefactor "bi" was missing. The revised equation, HLDbi = bi∙ln(S)-kbi∙EACN+Ccbi -aTbi∙(T-25°C), could now be interpreted as a curvature expression, and it was demonstrated that Cc could be obtained from curvature at characteristic conditions, only that the proper expression is Cc = Ccbi/bi.

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)0.001
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 score0.527
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0010.000
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 head0.081
GPT teacher head0.279
Teacher spread0.198 · 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
Published2022
Admission routes2
Has abstractyes

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