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Record W2067641808 · doi:10.1021/ie060359h

An Algorithm to Calculate K- and L-Points

2006· article· en· W2067641808 on OpenAlexaff
Samir H. Mushrif, Aaron Phoenix

Bibliographic record

VenueIndustrial & Engineering Chemistry Research · 2006
Typearticle
Languageen
FieldEngineering
TopicAdvanced Numerical Analysis Techniques
Canadian institutionsUniversity of Saskatchewan
Fundersnot available
KeywordsAlgorithmComputer science

Abstract

fetched live from OpenAlex

An algorithm to directly locate K- or L-points (which are often called critical endpoints) is proposed that utilizes a robust critical point solver and a standard phase stability test within a nested-loop structure. Successive substitution (SS), accelerated successive substitution, and Newton−Raphson (NR) procedures were used to perform the phase stability test, and it was determined that a hybrid between the SS and the NR methods balances the robustness of the SS procedure against the convergence rate of the NR procedure. The algorithm was tested using the Peng−Robinson equation of state for a variety of binary systems, including an ethane + ethanol system, three methane + n -alkane systems, and three propane + polyaromatic systems. An analysis of convergence difficulties is discussed, relative to the Gibbs free-energy surface topology. It was determined that an accurate initial critical composition was necessary to avoid convergence to a trivial solution. Convergence was not sensitive to the initial guess used to locate the noncritical equilibrium phase.

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 score0.090
Threshold uncertainty score0.894

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
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 head0.034
GPT teacher head0.325
Teacher spread0.291 · 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

Citations4
Published2006
Admission routes1
Has abstractyes

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