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Record W4385461964 · doi:10.1103/physreve.108.024201

Transport theory up to second-order scattering for reaction-diffusion-phonon systems with applications to active transport in catalysis, explosions, and biological membranes

2023· article· en· W4385461964 on OpenAlexaff
S. N. Patitsas

Bibliographic record

VenuePhysical review. E · 2023
Typearticle
Languageen
FieldPhysics and Astronomy
TopicSpectroscopy and Quantum Chemical Studies
Canadian institutionsUniversity of Lethbridge
Fundersnot available
KeywordsPhononChemical physicsScatteringExergonic reactionDiffusionBoltzmann equationChemical reactionChemical energyPhysicsCatalysisChemistryThermodynamicsQuantum mechanics

Abstract

fetched live from OpenAlex

A Boltzmann transport equation approach is developed for reaction-diffusion systems which incorporates phonon transport in addition to the traditional approach. Scattering processes up to second order are taken into account. Two forces emerge from this analysis when a spatial gradient exists, one force on reactants and products, the other force on phonons. The forces are equal and opposite and have the tendency for separation of the phonons away from the reactants and products. These forces are capable of creating the types of instabilities that can lead to the formation of Turing patterns. The existence of these forces allows for exergonic conversion where not all of the released energy from reactions and diffusion becomes heat. When applied to homogeneous catalysis, one finds that reactants and products are pushed toward regions of greater catalytic activity. In the realm of high-energy explosions, calculations show that reactants and products can be accelerated laterally to the direction of a TNT reaction front up to speeds near 1000 m/s. This acceleration is in opposition to diffusion and represents active transport. Calculations also show that active transport observed in biological systems such as bacteria, mitochondria, and chloroplasts may be explained by this second-order transport theory. Using reasonable values for key parameters, calculations show that up to one-third of the available chemical energy can be converted toward pumping protons uphill to a potential of 50 mV.

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 categoriesnone
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 score0.486
Threshold uncertainty score0.534

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
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 head0.025
GPT teacher head0.323
Teacher spread0.298 · 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.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations1
Published2023
Admission routes1
Has abstractyes

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