Estimating evaporation rates and contaminant air concentrations due to small spills of non-ideal aqueous organic solvent mixtures in a controlled environment
Bibliographic record
Abstract
Although small spills of non-ideal organic solvent mixtures are ubiquitous undesirable events in occupational settings, the potential risk of exposure associated with such scenarios remains insufficiently investigated. This study aimed to examine the impact of non-ideality on evaporation rates and contaminant air concentrations resulting from small spills of organic solvent mixtures. Evaporation rate constants alphas (α) were experimentally measured for five pure solvents using a gravimetric approach during solvent evaporation tests designed to simulate small spills of solvents. Two equations were used for estimating contaminants’ evaporation rates from aqueous mixtures assuming either ideal or non-ideal behavior based on the pure-chemical alpha values. A spill model also known as the well-mixed room model with exponentially decreasing emission rate was used to predict air concentrations during various spill scenarios based on the two sets of estimated evaporation rates. Model predictive performance was evaluated by comparing the estimates against real-time concentrations measured for the same scenarios. Evaluations for 12 binary non-ideal aqueous mixtures found that the estimated evaporation rates accounting for the correction by the activity coefficients of the solvents (median = 0.0318 min<sup>−1</sup>) were higher than the evaporation rates estimated without the correction factor (median = 0.00632 min<sup>−1</sup>). Model estimates using the corrected evaporation rates reasonably agreed with the measured values, with a median predicted peak concentrations-to-measured peak concentrations ratio of 0.92 (0.81 to 1.32) and a median difference between the predicted and the measured peak times of −5 min. By contrast, when the non-corrected evaporation rates were used, the median predicted peak concentrations-to-measured peak concentrations ratio was 0.31 (0.08 to 0.75) and the median difference between the predicted and the measured peak times was +33 min. Results from this study demonstrate the importance of considering the non-ideality effect for accurately estimating evaporation rates and contaminant air concentrations generated by solvent mixtures. Moreover, this study is a step further in improving knowledge of modeling exposures related to small spills of organic solvent mixtures.
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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) | 0.012 | 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".