Modification of the NRTL and Wilson models for the representation of phase equilibrium behavior of aqueous amino acid – electrolyte solutions
Bibliographic record
Abstract
The extended NRTL and Wilson local composition models for amino acid solutions have been modified for the representation of the phase equilibrium behavior of aqueous amino acid – electrolyte solutions by considering cells with random composition for the reference Gibbs energies or enthalpies of local composition cells with a central amino acid molecule and also with a central ion. These new local composition models, which have a molecular thermodynamic framework, have been used to model the vapor–liquid and solid–liquid equilibrium behavior of amino acids and small peptides in aqueous solutions as functions of temperature, ionic strength, and amino acid compositions. The utility of the models is demonstrated with a successful representation of the activity coefficients and the solubility of several amino acids in different aqueous solutions.Key words: amino acid, NRTL, Wilson, activity coefficient, solubility, aqueous solution.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
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".