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Record W1976026671 · doi:10.1021/jp013291m

Adsorption to Ice of <i>n</i>-Alcohols (Ethanol to 1-Hexanol), Acetic Acid, and Hexanal

2002· article· en· W1976026671 on OpenAlexaff
O. Sokolov, Jonathan P. D. Abbatt

Bibliographic record

VenueThe Journal of Physical Chemistry A · 2002
Typearticle
Languageen
FieldEarth and Planetary Sciences
TopicAtmospheric chemistry and aerosols
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsAdsorptionChemistryHexanalAcetic acidEquilibrium constantLangmuir adsorption modelAnalytical Chemistry (journal)ThermodynamicsPhysical chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The gas-to-ice uptakes of a variety of small organic molecules (C2 to C6 n-alcohols, acetic acid and hexanal) have been measured in a coated-wall flow tube coupled to an electron-impact mass spectrometer. The ice films are prepared by freezing liquid water and the temperature range covered is between 213 and 245 K. With the exceptions of 1-hexanol and high partial pressures of 1-pentanol, the surface coverages at 228 K are adequately described by a standard Langmuir adsorption isotherm model consistent with a saturated surface coverage of 2 to 3 × 10 14 molecules/cm 2, where the area is the geometric surface area of the film. For similar partial pressures, 1-hexanol exhibits very much larger uptakes than the other species, an indication that multilayer adsorption is occurring. The equilibrium constant for the partitioning between the gas-phase organic and its adsorbed form has been measured from the linear dependence of the surface coverage on pressure at low partial pressures. The temperature dependence of these equilibrium constants is used to derive the following heats of adsorption to ice at temperatures close to 228 K (in kcal/mole): −17.5 ± 2.8 for acetic acid, −17.1 ±1.6 for 1-pentanol, −16.2 ± 0.9 for 1-butanol, −14.8 ± 0.4 for ethanol, and −15.5 ± 1.4 for hexanal. The gas-to-surface equilibrium constants at 228 K correlate closely with the free energy change for gas-to-liquid condensation, indicating that polar organics adsorbing to ice participate in H-bonding interactions analogous to those in the pure liquid. The 228 K equilibrium constants do not correlate well with the aqueous Henry's Law constants, an indication that dissolution into a liquidlike layer of water on the surface has a minor impact on the uptakes.

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 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 score0.003
Threshold uncertainty score0.890

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 integrity0.0000.000
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 head0.014
GPT teacher head0.216
Teacher spread0.201 · 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.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations122
Published2002
Admission routes1
Has abstractyes

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