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Record W4296266730 · doi:10.1002/cjce.24650

The effect of bitumen molecular fractions on diffusivity and rheology of bitumen under <scp>high‐temperature</scp> conditions: Molecular dynamics ( <scp>MD</scp> ) simulation study

2022· article· en· W4296266730 on OpenAlexafffundvenueabout
Mohammad Ali Ahmadi, Matthew A. Clarke, Zhangxin Chen

Bibliographic record

VenueThe Canadian Journal of Chemical Engineering · 2022
Typearticle
Languageen
FieldChemistry
TopicPetroleum Processing and Analysis
Canadian institutionsUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of CanadaKillam TrustsEnergi Simulation
KeywordsAsphalteneRheologyAsphaltDiffusionThermal diffusivityMolecular dynamicsMaterials scienceFraction (chemistry)ThermodynamicsWork (physics)ChemistryChemical engineeringChromatographyOrganic chemistryComposite materialComputational chemistry

Abstract

fetched live from OpenAlex

Abstract Heavy oil and bitumen play an incredible role in Canada's energy resources. The main processes that have already been applied to produce heavy oil and bitumen are in‐situ thermal methods. The primary mechanism of production in these reservoirs is a reduction in heavy oil and bitumen viscosities via heat transfer. Having deep knowledge about the rheological behaviour of heavy oil and bitumen is crucial to designing a more accurate and efficient in‐situ thermal recovery method. In this work, molecular dynamics (MD) simulation was used to model the rheological behaviour of bitumen under different temperatures. According to MD outputs, the highest diffusion coefficient between bitumen fractions belongs to saturate fractions. On the other hand, the lowest diffusion coefficient belongs to asphaltene fractions. The size of asphaltene, its polarity, and the polarity of a resin fraction affect the diffusion coefficient of asphaltene in a bitumen sample and its rheological behaviour. The MD simulation aims to provide molecular insights and essential information about the rheological trend of bitumen under different thermodynamic conditions. The results of the current work provide essential information about the effect of bitumen fractions on its rheological behaviour.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.009
Threshold uncertainty score0.017

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0010.001
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.000

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.

Opus teacher head0.003
GPT teacher head0.208
Teacher spread0.205 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreEmpirical

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".

Quick stats

Citations11
Published2022
Admission routes4
Has abstractyes

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