Data · dataset · 2025
Dataset related to the thesis "Supercritical combustion and reduced kinetic modeling: advancing gasoline surrogates/ethanol blends for ultra-high-pressure conditions"
Listed in REDU - Unicamp Institutional Research Data Repository
This dataset includes three key CHEMKIN-format files developed and used in chemical kinetics and combustion simulations at supercritical conditions: MECH, THERM, and TRANS. 1.
Description
MECH File (Chemical Reaction Mechanism) contains developed reaction mechanisms for combustion and reactive processes. It includes a species list (SPECIES) defining all chemical species involved.
Reaction Equations (REACTIONS) provide chemical reactions with Arrhenius rate parameters (A, n, E). This information can be useful in engine and reactor combustion simulations, plasma modeling, atmospheric chemistry, or even pollutant degradation studies. 2. THERM File (Thermodynamic Data) stores thermodynamic coefficients to calculate enthalpy, entropy, and heat capacity as functions of temperature.
Read the rest (2 more)
This information can be useful for thermodynamic property calculations for combustion simulations, modeling of chemical reactions, and energy processes, and software like CHEMKIN, Cantera, and OpenFOAM. 3. The TRANS File (Transport Data) provides transport properties for chemical species that affect gas mixture behavior. This file includes parameters such as collision diameter, Lennard-Jones well depth, dipole moment, polarizability, and collision correction factor that can be useful for simulating mass, heat, and momentum transport.
It can also be used to model diffusion and thermal conductivity in gases in software like CHEMKIN, Cantera (open source software), and OpenFOAM (open source software). This dataset can be useful for researchers and engineers in combustion, atmospheric chemistry, and reactive flow modeling.
Links
Where it is published
- Dataverse dataset page redu.unicamp.br/dataset.xhtml?persistentId=doi%3A10.25824%2Fredu%2FK7TWFU ↗
landing page · from redu unicamp br
- DOI doi.org/10.25824/redu/k7twfu ↗
DOI / persistent id · from redu unicamp br
Catalogue records · 1
- Dataverse API redu.unicamp.br/api/datasets/:persistentId/?persistentId=doi%3A10.25824%2Fredu… ↗
metadata API · from redu unicamp br
Topics
- Stated by source
- Chemistry · Engineering
- From keywords
- Chemistry · Engineering
- Inferred from text
- Chemical and thermal processes in energy and combustion 76%
Provenance · 1 source records, 11 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| REDU - Unicamp Institutional Research Data Repository | doi:10.25824/redu/K7TWFU | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:field:400402 | enrichment · redu unicamp br | taxonomy-embedding@1.1.0 | title+keywords+description (76%) |
| concepts[field].dataverse_subject:chemistry | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].dataverse_subject:engineering | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].local:field:chemistry | mapping · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].local:field:engineering | mapping · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| created_date | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | |
| description | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /description |
| publication_date | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | |
| title | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /name |
| updated_date | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | |
| version_label | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 |