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USING ASPEN PLUS TO SIMULATE PHARMACEUTICAL PROCESSES – AN ASPIRIN CASE STUDY

2022· article· en· W4296266886 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

VenueAsian Journal of Pharmaceutical and Clinical Research · 2022
Typearticle
Languageen
FieldEngineering
TopicProcess Optimization and Integration
Canadian institutionsUniversity of WaterlooMcMaster University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsProcess engineeringProcess (computing)Activity-based costingUnit operationSCALE-UPComputer scienceRaw materialBatch reactorBatch processingBiochemical engineeringEnvironmental scienceEngineeringChemistryChemical engineeringOrganic chemistry

Abstract

fetched live from OpenAlex

Objective: The objective of this paper is to illustrate uses of Aspen Plus (Aspen) to pharmaceutical processes with a specific focus on the production of aspirin. Chemical process simulators such as Aspen have received little attention for pharmaceutical applications; this is due in part to prevalence of dynamic batch reactors, specialized raw materials and products often including solids and solids handling unit operations. Methods: Aspen was used to first validate an experimental study and then extended to a commercial scale process. Results: Aspen adequately reproduced the experimental results obtained from a dynamic batch reactor. Extension to the commercial scale illustrated the power of Aspen to simulate pharmaceutical processes as well as provide costing and economic analysis. Conclusions: It was found that although the modeling of this relatively simple process is more complicated than it initially seemed, Aspen was capable of handling the difficulties inherent in dealing with solids, batch reactions, and crystal growth. In addition, its optimization and economic analysis features provided enhanced flow sheeting functionality. Its batch reactor model, RBATCH, is capable of modeling batch reactors involving multiple solid-liquid reactions following various reaction rate laws.

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)0.005
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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.533
Threshold uncertainty score0.871

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0050.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.002
Insufficient payload (model declined to judge)0.0010.000

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 head0.474
GPT teacher head0.597
Teacher spread0.123 · 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