The Role of External Alkoxysilane Donors on Stereoselectivity and Molecular Weight in MgCl<sub>2</sub>-Supported Ziegler–Natta Propylene Polymerization: A Density Functional Theory Study
Bibliographic record
Abstract
The influence of the structure of external alkoxysilane donors on stereoslectivity and molecular weight distributions in MgCl 2 -supported Ziegler–Natta catalysis has been examined. We shall demonstrate how the size and the nature of the hydrocarbon attached to the central silicon atom play a role in regulating stereoselectivity and molecular weight. We will also consider the effect of the size of the alkoxy group in modulating stereoselectivity and molecular weight. We have developed a strategy in designing efficient catalysts based on steric and electronic considerations. We will examine the interactions involving the growing chain (represented by i -Bu), the olefin monomer (propylene) and the substituents (R 1 and R 2 in R 1 R 2 Si(OMe) 2 or R 1 R 2 Si(OEt) 2 ) on the alkoxysilane.
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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) | 0.001 | 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 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".