Mathematical Modeling of Polyether Production from 1,3‐Propanediol: Accounting for Linear Oligomers
Bibliographic record
Abstract
A mathematical model is developed to simulate the production of bio‐based polytrimethylene ether glycol (PO3G) using 1,3‐propanediol. The effect of super‐acid catalyst is accounted for in the model, as is mass transfer of small species (water, monomer, and propanal) and linear oligomers (dimer to heptamer). This model correctly predicts dynamic trends in concentrations of linear oligomers, but the predicted maxima in these concentrations appear slightly earlier than in the experimental data. Predictions of the degree of polymerization (DP) are improved compared with those from a previous model, where evaporation of linear oligomers was not considered. Additional model improvements, including accounting for the effects of cyclic oligomers, are suggested.
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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".