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Record W2065971695 · doi:10.1021/op060074g

Measurement and Prediction of Solubility of Paracetamol in Water−Isopropanol Solution. Part 2. Prediction

2006· article· en· W2065971695 on OpenAlexafffund
Hossein Hojjati, Sohrab Rohani

Bibliographic record

VenueOrganic Process Research & Development · 2006
Typearticle
Languageen
FieldEngineering
TopicPhase Equilibria and Thermodynamics
Canadian institutionsWestern University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsUNIQUACUNIFACSolubilityThermodynamicsChemistryHeat capacitySolventGroup contribution methodActivity coefficientRegular solutionAqueous solutionNon-random two-liquid modelOrganic chemistryPhase equilibriumPhysical chemistryPhase (matter)

Abstract

fetched live from OpenAlex

The solubility of paracetamol in water−isopropanol mixtures at 30 °C using the regular - solution theory, the UNIFAC model, and the UNIQUAC model is predicted and compared with the corresponding experimental values reported in part A of this study. The results of the ideal solubility show that Δ c p should be integrated with respect to differential molar heat capacity changes with temperature, if sub-cooled liquid heat capacity is approximated by liquid heat capacity. The modified regular-solution theory underestimates the solubility, whereas the UNIFAC model overestimates it. The UNIQUAC model results in the best predictions. However, various vapor−liquid equilibrium data sets to calculate the UNIQUAC solvent−solvent adjustable parameters result in different accuracies.

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)0.001
metaresearch head score (Gemma)0.002
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 score0.004
Threshold uncertainty score0.008

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0010.001

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 head0.031
GPT teacher head0.254
Teacher spread0.223 · 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

Citations70
Published2006
Admission routes2
Has abstractyes

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