Data · dataset · 2025
Data files for thermophysical properties of CO2, water and NaCl under geological conditions via molecular simulation and equation of state
Listed in REDU - Unicamp Institutional Research Data Repository
We present data on thermophysical properties of the CO2-Water-NaCl mixture from molecular simulation and equation of state.
Description
Phase equilibria, density, electric double layer, dielectric tensor, zeta potential, thermal diffusion factor, diffusion coefficients and viscosity are examples of properties obtained in this study. We provide the main results (both figures and .txt files), the post-processing Python codes and input files of molecular simulations, and the Python codes of the equation of state.
Details on how the data, files, and codes are organized can be found in the file "FILES_GUIDE.txt"
Links
Where it is published
- Dataverse dataset page redu.unicamp.br/dataset.xhtml?persistentId=doi%3A10.25824%2Fredu%2FRDNAW0 ↗
landing page · from redu unicamp br
- DOI doi.org/10.25824/redu/rdnaw0 ↗
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 · Computer and Information Science · Engineering · Physics
- From keywords
- Chemistry · Engineering · Life Sciences · Physics
- Inferred from text
- Simulation 75% · Transport properties and non-equilibrium processes 77%
Provenance · 1 source records, 16 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| REDU - Unicamp Institutional Research Data Repository | doi:10.25824/redu/RDNAW0 | 13 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:field:340609 | enrichment · redu unicamp br | taxonomy-embedding@1.1.0 | title+keywords+description (77%) |
| concepts[field].dataverse_subject:chemistry | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].dataverse_subject:computer-and-information-science | 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].dataverse_subject:physics | 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 |
| concepts[field].local:field:life-sciences | mapping · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].local:field:physics | mapping · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[method].local:method:simulation | enrichment · redu unicamp br | keyword-concept-rules@1.0.0 | title+description (75%) |
| 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 |