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Record W2034091978 · doi:10.1063/1.1634555

Slow manifold for a bimolecular association mechanism

2004· article· en· W2034091978 on OpenAlexafffund
Simon Fraser

Bibliographic record

VenueThe Journal of Chemical Physics · 2004
Typearticle
Languageen
FieldComputer Science
TopicNonlinear Dynamics and Pattern Formation
Canadian institutionsUniversity of Toronto
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsSlow manifoldOdeOrdinary differential equationInvariant manifoldSingular perturbationManifold (fluid mechanics)Relaxation (psychology)Series (stratigraphy)KineticsCenter manifoldChemistryChemical kineticsMathematicsDifferential equationMathematical analysisPhysicsClassical mechanicsQuantum mechanics

Abstract

fetched live from OpenAlex

Finding the slow manifold for two-variable ordinary differential equation (ODE) models of chemical reactions with a single equilibrium is generally simple. In such planar ODEs the slow manifold is the unique trajectory corresponding to the slow relaxation of the system as it moves towards the equilibrium point. One method of finding the slow manifold is to use direct iteration of a functional equation; another method is to obtain a series solution of the trajectory differential equation of the system. In some cases these two methods agree order-by-order in the singular perturbation parameter controlling the fast relaxation of the intermediate (complex). However, de la Llave has found a model ODE where the series method always diverges. Bimolecular association is an example of a chemical reaction where the series method for finding the slow manifold diverges but the iterative method converges. In this mechanism a complex is formed which can then undergo unimolecular decay, i.e., [reaction: see text]. The kinetics of this reaction are investigated and its properties compared with two other two-step mechanisms where series expansion and iteration methods are equivalent: the Michaelis-Menten mechanism for enzyme kinetics, and the Lindemann-Christiansen mechanism of unimolecular decay in gas kinetics.

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)0.001
metaresearch head score (Gemma)0.003
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.010
Threshold uncertainty score0.034

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.003
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.000
Science and technology studies0.0010.001
Scholarly communication0.0010.004
Open science0.0010.002
Research integrity0.0020.002
Insufficient payload (model declined to judge)0.0100.002

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 head0.009
GPT teacher head0.220
Teacher spread0.211 · 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 designTheoretical or conceptual
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
Published2004
Admission routes2
Has abstractyes

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