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Record W4304614705 · doi:10.1007/s00769-022-01515-w

The units of rate constants in chemical kinetics

2022· article· en· W4304614705 on OpenAlex
Jeremy G. Frey, Timothy J. Wallington, Richard M. Hartshorn, Martin Qüack, Pascal Heus, Steven Emmerson

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueAccreditation and Quality Assurance · 2022
Typearticle
Languageen
FieldPhysics and Astronomy
TopicSpectroscopy and Quantum Chemical Studies
Canadian institutionsOpen Text (Canada)
Fundersnot available
KeywordsReaction rate constantArrhenius equationLogarithmThermodynamicsConstant (computer programming)Base (topology)Rate equationKineticsChemistryMathematicsPhysical chemistryComputer sciencePhysicsActivation energyMathematical analysis

Abstract

fetched live from OpenAlex

Abstract This short article discusses the units of rate constants as used in chemical kinetics and, in particular, the aspect of non-integral powers of base units, which some might find unusual for units in the SI system. In many ways the fact that the units of the rate constants as usually defined convey information about the order of the reaction or reactions involved is very useful, but in other ways having the same (or at least very similar) quantity that has different units under different conditions is not so desirable. Furthermore, just as with chemical equilibrium constants, taking functions of the rate constant (such as the logarithm when representing the Arrhenius equation in the form ln $$k\,{\text {vs.}}\,1/T$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>k</mml:mi> <mml:mspace/> <mml:mtext>vs.</mml:mtext> <mml:mspace/> <mml:mn>1</mml:mn> <mml:mo>/</mml:mo> <mml:mi>T</mml:mi> </mml:mrow> </mml:math> ) needs special attention. Here we examine a possible alternative definition of rate constants in terms of an explicit ratio to the concentration standard state and although we acknowledge that this approach unlikely to be adopted by the community, it serves as a basis to discuss the meaning of rate constants.

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.

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 categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.384
Threshold uncertainty score0.177

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 integrity0.0000.000
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 head0.032
GPT teacher head0.306
Teacher spread0.274 · 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