MétaCan
Menu
Back to cohort
Record W2002744086 · doi:10.1021/ie049100u

Comparison of a Pseudo-homogeneous Nonequilibrium Dynamic Model and a Three-phase Nonequilibrium Dynamic Model for Catalytic Distillation

2005· article· en· W2002744086 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

VenueIndustrial & Engineering Chemistry Research · 2005
Typearticle
Languageen
FieldEngineering
TopicProcess Optimization and Integration
Canadian institutionsUniversity of Waterloo
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsNon-equilibrium thermodynamicsDynamic simulationThermodynamicsChemistryHomogeneousDistillationBatch distillationPhase (matter)Process (computing)Biological systemChromatographyPhysicsComputer scienceSimulationFractional distillationOrganic chemistry

Abstract

fetched live from OpenAlex

A comparison of a pseudo-homogeneous nonequilibrium (NEQ) dynamic model and a three-phase NEQ dynamic model was studied for the simulation of both a batch catalytic distillation (CD) process and a continuous CD process for the aldol condensation of acetone. The models were implemented in gPROMS and C++. The simulation results show that most of the dynamic responses of both the batch and continuous CD columns are either close to zero order or first order; however, the responses of temperatures in and below the reaction zone of the batch CD column predicted by the pseudo-homogeneous NEQ dynamic model are highly nonlinear. The formation rate of diacetone alcohol (DAA) and the liquid phase temperatures predicted by the pseudo-homogeneous NEQ dynamic model were found to be much higher than those predicted by the three-phase NEQ dynamic model for both the CD columns. Through a comparison with the experimental data, it was found that the three-phase NEQ dynamic model can adequately describe this CD process, while the simpler pseudo-homogeneous NEQ dynamic model overly predicts the formation rate of DAA and the liquid phase temperatures because the mass- and heat-transfer resistances between the liquid and solid phases are ignored. Since the computation time for the two NEQ dynamic models is very similar, it is recommended that the three-phase NEQ dynamic model should be used in the simulation of the CD process unless it is known a priori that the CD process is kinetically controlled.

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 categoriesMeta-epidemiology (narrow)
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 score0.288
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 head0.081
GPT teacher head0.373
Teacher spread0.292 · 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