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Record W4407118255 · doi:10.1021/acsestwater.4c00652

Multicomponent Mass Transfer in Dissolved Gas Analysis: The Impacts of Headspace Pressurization on Reliable Measurement

2025· article· en· W4407118255 on OpenAlex
Cole J.C. Van De Ven, Isabella R. Hearne, Madeline M. Calvert

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

VenueACS ES&T Water · 2025
Typearticle
Languageen
FieldEnvironmental Science
TopicAtmospheric and Environmental Gas Dynamics
Canadian institutionsCarleton University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsCabin pressurizationSolubilityVolume (thermodynamics)MethaneMass transferChemistryCarbon dioxideGas chromatographyMass transfer coefficientAnalytical Chemistry (journal)Environmental chemistryChromatographyThermodynamicsMaterials science

Abstract

fetched live from OpenAlex

Measuring dissolved gas concentrations such as methane (CH 4 ), carbon dioxide (CO 2 ), and hydrogen (H 2 ) (e.g., groundwater or surface water samples) is important for ensuring safe and effective subsurface energy development and storage. A common method is to collect water samples in fixed-volume sealed vessels and then use static headspace equilibrium techniques to quantify the dissolved gas concentrations by gas chromatography. Previously, the presence of multiple gas components was not considered during the analysis of water samples but is necessary. A mass balance approach considering multicomponent mass transfer was developed and validated, and the impact on dissolved gas measurements was quantified. It was found that mass transfer occurring in fixed-volume vessels leads to pressurization of sample headspace during analysis, causing error. Higher solubility gases (e.g., CO 2 ) exhibit higher headspace pressurization and larger errors than lower solubility gases (e.g., CH 4 ). In addition, it was found that the volume of the headspace induced and the co-occurrence of multiple dissolved gas species in a sample can exacerbate headspace pressurization and error. Overall, caution must be taken when using static headspace equilibrium techniques; if multicomponent mass transfer is not considered, error and potential under reporting of dissolved concentrations is possible.

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 categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Observational · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.582
Threshold uncertainty score0.330

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 head0.008
GPT teacher head0.203
Teacher spread0.195 · 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