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Record W4293817086 · doi:10.1063/5.0116558

Macromolecular complex viscosity from space-filling equilibrium structure

2022· article· en· W4293817086 on OpenAlexafffund
R. Chakraborty, Diya Singhal, M. A. Kanso, A. Jeffrey Giacomin

Bibliographic record

VenuePhysics of Fluids · 2022
Typearticle
Languageen
FieldChemical Engineering
TopicRheology and Fluid Dynamics Studies
Canadian institutionsQueen's University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsMacromoleculeRheologyViscosityPolymerDimensionless quantityMoment of inertiaIntrinsic viscosityThermodynamicsPhysicsChemical physicsClassical mechanicsChemistry

Abstract

fetched live from OpenAlex

Macromolecular theory for the rheology of polymer liquids usually proceeds from a scale much larger than chemical bonding. For instance, a bead in a general rigid bead-rod theory can represent a length of the polymer. This is why we sculpt the shape of the macromolecule with a rigid bead-rod model. From the macromolecular hydrodynamics that follow, we then discover that the rheology of polymeric liquids depends on the macromolecular moments of inertia. In this paper, we use this discovery to arrive at a way of proceeding directly from the chemical bonding diagram to dimensionless complex viscosity curves. From the equilibrium conformation of the macromolecule, its atomic masses and positions, we first arrive at the macromolecular principal moments of inertia. From these, we then get the shapes of the complex viscosity curves from first principles thusly. We call this the macromolecular moment method. The zero-shear viscosity and relaxation time must still be fit to measurement. Using space-filling equilibrium structures, we explore the roles of (i) end group type, (ii) degree of polymerization, and (iii) pendant group type. We compare our results with complex viscosity measurements of molten atactic polystyrene.

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)0.002
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: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.003
Threshold uncertainty score0.009

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.002
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.000
Science and technology studies0.0000.001
Scholarly communication0.0010.002
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0030.000

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 head0.013
GPT teacher head0.228
Teacher spread0.214 · 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

Citations16
Published2022
Admission routes2
Has abstractyes

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