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Record W2263701154 · doi:10.1021/acs.jced.5b01061

The Volumetric Properties of Carbonyl Sulfide and Carbon Dioxide Mixtures from <i>T</i> = 322 to 393 K and <i>p</i> = 2.5 to 35 MPa: Application to COS Hydrolysis in Subsurface Injectate Streams

2016· article· en· W2263701154 on OpenAlexafffund
Connor E. Deering, Matthew Saunders, Jerry A. Commodore, Robert A. Marriott

Bibliographic record

VenueJournal of Chemical & Engineering Data · 2016
Typearticle
Languageen
FieldEngineering
TopicPhase Equilibria and Thermodynamics
Canadian institutionsUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsGibbs free energyChemistryCarbon dioxideThermodynamicsMixing (physics)Carbonyl sulfideHydrolysisEnthalpyHigh pressureEquation of stateSulfideAnalytical Chemistry (journal)Organic chemistryPhysics

Abstract

fetched live from OpenAlex

This work describes an exploration of high-pressure acid gas chemical equilibria in CO 2 rich fluids aimed at subsurface injection for acid gas reinjection, carbon sequestration, or enhanced oil recovery. To develop the capability to calculate both physical and chemical equilibria involving COS under high-pressure injectate conditions, we have measured the density changes associated with mixing COS (1) and CO 2 (2) at temperatures between T = 322.91 and 393.25 K and up to p = 35 MPa. These density differences were used to calculate apparent molar volumes for COS, which were used to calibrate binary mixing parameters for high-accuracy reduced Helmholtz energy equations-of-state (γ ν,12 = 1.0496 and γ T,12 = 0.94085). The new mixing parameters were shown to reproduce low-temperature p – x phase behavior measurements reported in the literature. The optimized mixing parameters were then applied in a Gibbs Energy Minimization (GEM) routine to find the enthalpy of formation for COS from literature equilibrium measurements at atmospheric conditions (Δ f H 298.15K,0.1 MPa (COS) = 141.744 ± 0.803 kJ mol –1 ). The same GEM routine was used to explore the reaction of acid gases at applicable high-pressures. Results showed a decreased reaction of H 2 S + CO 2 at low-temperature and low-pressure, that is, COS hydrolysis is less favorable at high-pressure.

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 score0.094
Threshold uncertainty score0.475

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 head0.007
GPT teacher head0.192
Teacher spread0.185 · 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

Citations17
Published2016
Admission routes2
Has abstractyes

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