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Record W2051394903 · doi:10.1063/1.481486

Elastic properties of surfactant monolayers at liquid–liquid interfaces: A molecular dynamics study

2000· article· en· W2051394903 on OpenAlexafffund
Mohamed Laradji, Ole G. Mouritsen

Bibliographic record

VenueThe Journal of Chemical Physics · 2000
Typearticle
Languageen
FieldChemistry
TopicSurfactants and Colloidal Systems
Canadian institutionsUniversity of Prince Edward Island
FundersNatural Sciences and Engineering Research Council of CanadaTeknologi og Produktion, Det Frie Forskningsråd
KeywordsPulmonary surfactantSurface tensionFlexural rigidityMonolayerMolecular dynamicsMaterials scienceRigidity (electromagnetism)BendingElastic modulusCapillary waveChemical physicsCapillary actionThermodynamicsChemistryComposite materialNanotechnologyComputational chemistryPhysics

Abstract

fetched live from OpenAlex

Using a simple molecular model based on the Lennard–Jones potential, we systematically study the elastic properties of liquid–liquid interfaces containing surfactant molecules by means of extensive and large-scale molecular dynamics simulations. The main elastic constants of the interface, corresponding to the interfacial tension and the mean bending modulus are determined from the analyses of the long-wavelength behavior of the structure factor of the capillary waves. We found that the interfacial tension decreases with increasing surfactant interfacial coverage and/or surfactant chain length. However, we found that the corresponding change in the bending rigidity is nonmonotonic. Specifically, we found that the bending rigidity decreases with increasing surfactant interfacial coverage for small surfactant interface coverages, but then it increases as the surfactant interface coverage is further increased. Using a Gaussian theory on an interfacial Ginzburg–Landau model of surfactants, we find that the initial decrease of the bending rigidity is attributed to coupling between fluctuations of the surfactant orientation field to those in the interfacial height.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.003
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.000
Science and technology studies0.0000.001
Scholarly communication0.0000.001
Open science0.0000.000
Research integrity0.0010.001
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 head0.012
GPT teacher head0.215
Teacher spread0.203 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
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

Citations40
Published2000
Admission routes2
Has abstractyes

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