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Record W2170891052 · doi:10.1139/v02-040

Size dependence of the solubility of nonpolar compounds in different solvents

2002· article· en· W2170891052 on OpenAlexvenueno aff
Giuseppe Graziano

Bibliographic record

VenueCanadian Journal of Chemistry · 2002
Typearticle
Languageen
FieldChemical Engineering
TopicThermodynamic properties of mixtures
Canadian institutionsnot available
Fundersnot available
KeywordsChemistrySolvationSolventSolubilityEnthalpyThermodynamicsHexaneSolvent effectsCyclohexaneGibbs free energyHildebrand solubility parameterBenzeneComputational chemistryPhysical chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

At 25°C, plots of the standard Gibbs energy change associated with the solvation of noble gases and aliphatic hydrocarbons vs. the size of the solutes prove to be approximately linear with a negative slope for common organic solvents but not for water. In the latter case, the plot has a characteristic V-shape. The slope is negative for noble gases, methane, and ethane, but is positive for larger alkanes. This means that the solubility of nonpolar solutes increases with solute size in every solvent except water. The solvation thermodynamics of noble gases and aliphatic hydrocarbons in five solvents (water, ethanol, benzene, c-hexane, and n-hexane) are analyzed in detail by a general theory, which is rederived to avoid risky misunderstandings. The calculations are performed in the same manner for all solvents, using simple formulas where the physical reliability is well established and the results are consistent. The work of cavity creation increases with solute size in every solvent, but to a far greater extent in water. Additionally, the work to turn on the solute–solvent attractive interactions increases in magnitude with solute size in every solvent, but to a lesser extent in water. By combining these two factors a satisfactory explanation for experimental data obtained emerges. The microscopic origins of the difference between water and common organic solvents are discussed.Key words: solvation, excluded-volume effect, solute–solvent interactions, enthalpy–entropy compensation, molecular size.

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: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.003
Threshold uncertainty score0.010

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.000
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0030.000

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 head0.009
GPT teacher head0.180
Teacher spread0.170 · 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 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

Citations40
Published2002
Admission routes1
Has abstractyes

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Same venueCanadian Journal of ChemistrySame topicThermodynamic properties of mixturesFrench-language works237,207