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Record W4252194556 · doi:10.26434/chemrxiv.7848179

Chemical Reaction Stoichiometry: A Key Link between Thermodynamics and Kinetics, and an Excel Implementation

2019· preprint· en· W4252194556 on OpenAlexaff
Leslie Glasser, William L. Smith

Bibliographic record

VenueChemRxiv · 2019
Typepreprint
Languageen
FieldChemistry
TopicElectrochemical Analysis and Applications
Canadian institutionsUniversity of Guelph
Fundersnot available
KeywordsChemical equationStoichiometryChemistryChemical reactionConservation of massMatrix (chemical analysis)KineticsChemical thermodynamicsKey (lock)Computer scienceMathematicsThermodynamicsPhysicsPhysical chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

<div>The Law of Conservation of Mass (LCM) is one of the most important principles in chemistry. It applies to both closed and steady-state open flow systems undergoing chemical change. Various special methods are generally taught for its implementation, including inspection, oxidation-reduction, and ion-electron approaches, which typically fall under the topic of "balancing a chemical equation". However, apart from the simplest case described by a single such equation, only matrix methods are applicable.</div><div><br></div><div>This paper describes Chemical Reaction Stoichiometry (CRS), and its implementation of the LCM for chemically reacting systems by its expression in terms of a nonunique set of independent chemical equations of the appropriate number. Such equations have the superficial appearance of, but are distinct from, an actual chemical reaction mechanism. The underlying matrix method is based on ideas from basic linear algebra; in addition to being generally applicable to systems of any complexity, it obviates the need for the aforementioned special methods in single-reaction systems.</div><div><br></div><div>We provide an easy-to-use spreadsheet implementation of CRS that includes many worked examples.</div>

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 distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.021
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

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

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 head0.017
GPT teacher head0.298
Teacher spread0.281 · 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 teacher head, not a consensus.

Study designBench or experimental
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

Citations2
Published2019
Admission routes1
Has abstractyes

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