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Record W1981662240 · doi:10.1021/ed080p520

What Is the Overall Stoichiometry of a Complex Reaction?

2003· article· en· W1981662240 on OpenAlexfundno aff
Sidney Toby, Irwin Tobias

Bibliographic record

VenueJournal of Chemical Education · 2003
Typearticle
Languageen
FieldEngineering
TopicMolecular Junctions and Nanostructures
Canadian institutionsnot available
FundersWorcester Polytechnic InstituteAcadia University
KeywordsStoichiometryDetailed balanceKinetic energyBalance (ability)Computer scienceStatistical physicsChemistryPhysical chemistryPhysicsClassical mechanics

Abstract

fetched live from OpenAlex

The overall stoichiometry of a reaction having a multistep mechanismcan be derived using methods based on either of the following twoapproaches: elemental-balance or extent of reaction. The extent ofreaction method (ξ method) has been used for many years. We haverecently shown ( J.Chem.Educ. 2000, 77, 188 ) thatintegration of rate equations (the kinetic method) offers analternative to the ξ method using methods that may be more familiarto many chemists. The two methods are, however, equivalent and give thesame results, as pointed out in the Appendix. The elemental-balancemethod is the simplest of the three methods but, as we shall show, itdoes not always give as much information about the system beinganalyzed as do the other two methods. In this paper bothelemental-balance and kinetic methods will be used to derivestoichiometric relationships and the results will be compared. We showthat each method has its advantages and conclude that both methods areuseful in different contexts.

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)0.003
metaresearch head score (Gemma)0.011
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.011
Threshold uncertainty score0.038

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0030.011
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0030.001
Bibliometrics0.0020.001
Science and technology studies0.0010.003
Scholarly communication0.0050.010
Open science0.0020.001
Research integrity0.0030.002
Insufficient payload (model declined to judge)0.0110.003

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 head0.253
Teacher spread0.245 · 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 designNot applicable
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

Citations4
Published2003
Admission routes1
Has abstractyes

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