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Record W4402231783 · doi:10.26434/chemrxiv-2024-wqd2m

Programmatic Data Analysis for Quantitative Isothermal Heat Flow Calorimetry of Cementitious Materials

2024· preprint· en· W4402231783 on OpenAlexaff
Aleksandar Jagličić, Torben Gädt

Bibliographic record

VenueChemRxiv · 2024
Typepreprint
Languageen
FieldChemistry
Topicthermodynamics and calorimetric analyses
Canadian institutionsinVentiv Health Clinical
Fundersnot available
KeywordsIsothermal titration calorimetryCementitiousCalorimetryIsothermal processTartaric acidMaterials scienceCementChemistryThermodynamicsOrganic chemistryBiochemistryComposite material

Abstract

fetched live from OpenAlex

Isothermal heat flow calorimetry is a powerful method for studying chemical processes. In cement research, it has become indispensable for quantifying the heat release during cement hydration. It is used to study the reactivity of cementitious binders and the effect of admixture chemistry and dosage. Most isothermal calorimetry data on cementitious materials is analyzed qualitatively, i.e., by graphical comparison of heat flow curves. This is a missed opportunity, as the method delivers precise quantitative data with clearly defined chemical meaning. This work presents a lightweight open-source toolchain for quantitative analysis of isothermal calorimetry data. Using this toolchain, we quantify the effect of three retarders, sucrose, etidronic acid, and racemic tartaric acid, on the hydration of Portland cement. In particular, we determine characteristic times and kinetic parameters such as the maximum heat flow, the duration of the dormant period, or the maximum acceleration and the corresponding time. The results reveal that the efficiency of the retarders ranks in the order sucrose > etidronic acid > DL-tartaric acid. Further, we find that the end of the dormant period of cement hydration is exponentially dependent on the dosage of etidronic acid. In contrast, sucrose and tartaric acid show a small deviation from an exponential relationship which indicates differences in the retardation mechanism. This is also reflected in the acceleration of the main silicate reaction. Increasing amounts of etidronic acid lead to a significantly more substantial reduction of the C3S hydration acceleration than sucrose. Additionally, the Vicat set times of the cement pastes were determined, and an excellent correlation was found with the time of the maximum acceleration of the silicate reaction.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.005
metaresearch head score (Gemma)0.012
Version: metacan-v3-hybrid-931329e0061cValidation 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: none
Teacher disagreement score0.033
Threshold uncertainty score0.109

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0050.012
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0020.002
Science and technology studies0.0010.001
Scholarly communication0.0020.002
Open science0.0010.002
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0330.010

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 head0.066
GPT teacher head0.335
Teacher spread0.269 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
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

Citations1
Published2024
Admission routes1
Has abstractyes

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