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Record W4225542222 · doi:10.1080/00084433.2022.2060602

Thermodynamic modelling of decomposition processes in the Mn-O and Mn-O-H systems

2022· article· en· W4225542222 on OpenAlex

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.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueCanadian Metallurgical Quarterly · 2022
Typearticle
Languageen
FieldMaterials Science
TopicThermal and Kinetic Analysis
Canadian institutionsQueen's University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsManganeseDecompositionThermodynamicsThermal decompositionChemistryChemical stabilityAtmospheric pressureThermodynamic equilibriumMaterials sciencePhysics

Abstract

fetched live from OpenAlex

An understanding of the decomposition processes in the Mn-O and the Mn-O-H systems is important for several applications such as the reduction of manganese ores or the production of pure manganese oxides. Precise thermodynamic data is required for modelling these thermal processes and in particular data is lacking for Mn5O8. It would be advantageous to more accurately model these processes, but this depends on the availability of reliable thermodynamic data. In the present research, the currently available data for the Mn-O system was evaluated in order to obtain consistent decomposition temperatures of the various manganese oxides, as calculated using the Equilibrium Composition program of HSC Chemistry® 7.1. Subsequently, these temperatures were compared to the experimentally determined values in the literature. Also, the effects of variables such as atmospheric composition and pressure on the temperatures were evaluated. Additionally, the thermal conditions required for the formation of Mn5O8, were delineated. The thermodynamic data utilized for Mn5O8 were as follows: ΔH° = −2444.5 kJ/mol, ΔS° = 280.2 J/(mol·K) and Cp(T)=227.8+182.2×10−3T−16.7×105T−2−60.4×10−6T2J/(mol·K). The selected data utilized in this research, can be used for accurate thermodynamic calculations and as examples, phase stability diagrams for the Mn-O, Mn-O-H and Mn-O-N systems were determined.

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: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.279
Threshold uncertainty score0.976

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 head0.014
GPT teacher head0.213
Teacher spread0.199 · 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