Impact of N, O Heteroatoms in Asphaltene on Adsorption of Vanadyl/Nickel Etioporphyrin
Bibliographic record
Abstract
The interaction between functionalized graphene and metal porphyrins was studied for a better understanding of the influence of the N and O heteroatoms in asphaltene on demetallization efficiency during the solvent deasphalting process. The theoretical simulation indicated a strong inhibitory effect of the aminated/carboxylated side group for chemical adsorption of metal porphyrins. The differences of adsorption behavior for graphene, aminated graphene, and Canadian oil sands bitumen vacuum tower bottom asphaltene (VTB-asp) were also analyzed. It was found that the introduction of aminated side groups to the graphene not only compromised the electron delocalization capacity of the polyaromatic nuclei hydrocarbon skeleton of graphene but also caused a steric hindrance effect on the internal diffusion of metal porphyrins, leading to decreased adsorption active sites and internal diffusion rate, respectively. It was also found that metal porphyrins can be barely adsorbed on carboxylated graphene at 25 °C.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| 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) | 0.001 | 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 source (direct Gemma or distilled Codex), 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".