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Record W3095131981 · doi:10.1002/cjce.23905

Kinetics study and process simulation of reactive distillation for the synthesis of ε‐caprolactone

2020· article· en· W3095131981 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.

venuePublished in a venue whose home country is Canada.
no affNo Canadian affiliation: this work is invisible to an affiliation-only frame.
No Canadian affiliation. An affiliation-only frame, the usual design, would never have seen this work. It is one of the works that make the case for inverting the frame.

Bibliographic record

VenueThe Canadian Journal of Chemical Engineering · 2020
Typearticle
Languageen
FieldEngineering
TopicProcess Optimization and Integration
Canadian institutionsnot available
FundersNational Natural Science Foundation of China
KeywordsReactive distillationCyclohexanoneKineticsProcess (computing)Chemical kineticsFractionating columnDistillationChemistryProcess simulationProcess engineeringCatalysisChemical engineeringChromatographyOrganic chemistryComputer scienceEngineering

Abstract

fetched live from OpenAlex

Abstract A novel three‐stage catalytic reactive distillation (RD) column integrated chemical reaction and distillation process for the continuous synthesis of ε‐caprolactone (ε‐CL) was proposed to overcome the disadvantages of previous batch processes. Reaction kinetics according to the two‐step indirect oxidation method was studied firstly, which was essential in reactor design and process optimization as well as lacking in the current literature. Kinetics models obtained by data fitting were tested by residual distribution and model statistics. And then, according to the thermodynamic characteristics and reaction kinetics of this process, a steady‐state simulation of RD column was carried out with the process simulator Aspen Plus. The influence of operation parameters was investigated on process performance. Under the optimal operating conditions, the conversion of cyclohexanone was 97%, and the mass fraction of ε‐CL in the bottom products was 62.31%. The simulation showed that RD column worked with excellent results in respect to conversion and product purity because of integrating the processes of chemical reaction and distillation.

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)0.001
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 score0.152
Threshold uncertainty score0.156

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
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 head0.013
GPT teacher head0.217
Teacher spread0.204 · 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