Fractionation databases
14 databases, 180 entries. Every numeric value carries a citation, without exception. A factor whose source cannot be named is a factor nobody can check, and a database of those is a convenience that costs more than it saves.
Published under CC-BY-4.0. Each entry additionally cites its own source, and that citation is what should appear in a paper: the database is how a value is found, the paper is what justifies it.
| Element | Ratio | Entries | Sources | Mechanisms |
|---|---|---|---|---|
| Cd | 114Cd/110Cd | 16 | 15 | adsorption, dissolution, evaporation, precipitation, redox, uptake |
| Cr | 53Cr/52Cr | 26 | 24 | adsorption, dissolution, oxidation, precipitation, reduction |
| Cu | 65Cu/63Cu | 19 | 18 | adsorption, dissolution, evaporation, precipitation, reduction, uptake |
| Fe | 56Fe/54Fe | 28 | 28 | adsorption, dissolution, evaporation, oxidation, precipitation, redox, reduction |
| Li | 7Li/6Li | 5 | 5 | adsorption, dissolution, evaporation, precipitation |
| Ni | 60Ni/58Ni | 6 | 5 | adsorption, redox, uptake |
| Pb | 206Pb/204Pb | 1 | 1 | dissolution |
| Pb | 207Pb/206Pb | 2 | 1 | reduction |
| Pb | 208Pb/206Pb | 3 | 1 | reduction |
| Sb | 123Sb/121Sb | 38 | 23 | adsorption, dissolution, evaporation, ligand_exchange, oxidation, redox, reduction, uptake |
| Se | 82Se/76Se | 9 | 8 | adsorption, dissolution, oxidation, reduction, uptake |
| Sr | 88Sr/86Sr | 7 | 7 | adsorption, dissolution, precipitation, uptake |
| W | 186W/184W | 2 | 1 | adsorption |
| Zn | 66Zn/64Zn | 18 | 18 | adsorption, dissolution, evaporation, precipitation, redox, uptake |
Files
| File | Size | SHA-256 |
|---|---|---|
| cd_114cd_110cd.igdb | 17.6 KiB | 1cea66725e899327… |
| cr_53cr_52cr.igdb | 23.1 KiB | 5edff0f74871d04b… |
| cu_65cu_63cu.igdb | 19.4 KiB | eb9892149863428f… |
| fe_56fe_54fe.igdb | 31.1 KiB | 4da3f241952d95ad… |
| li_7li_6li.igdb | 4.9 KiB | 2602c362633f80cf… |
| ni_60ni_58ni.igdb | 5.4 KiB | 9f430f615b7e1ba6… |
| pb_206pb_204pb.igdb | 1.8 KiB | d6b2a1030b2d0861… |
| pb_207pb_206pb.igdb | 2.5 KiB | 0b0657dbee41b8e3… |
| pb_208pb_206pb.igdb | 3.2 KiB | afaf99f3456fee08… |
| sb_123sb_121sb.igdb | 19.8 KiB | 0db9259e856f87c4… |
| se_82se_76se.igdb | 10.4 KiB | fc0fa5fad2e26bfb… |
| sr_88sr_86sr.igdb | 7.9 KiB | 25ef0415df7469fd… |
| w_186w_184w.igdb | 1.9 KiB | 35e3dd7cd28e63f6… |
| zn_66zn_64zn.igdb | 19.1 KiB | 1da23006111bb3c4… |
A digest is published for each file because a model's provenance records the digest of the database it read. Two runs that disagree can then be traced to the data rather than argued about.
Using one
A model names a database and the engine resolves what the model left out.
DATABASE
file "cr_53cr_52cr.igdb"
CONDITIONS
temperature 15 C
pH 7.0
A bare name is searched for: beside the model first, then
IGL_DATABASES, then a databases directory near the
executable. A name carrying a path is resolved beside the model and nowhere
else. Model first is deliberate: an IGDB file is a model's own evidence and may
travel with it, so a model that ships one always reads that one.
What the engine resolves is recorded. The intermediate representation carries the path a name was answered by and its digest, so a results file never leaves in doubt which data produced it.
How a query is answered
A query names the ratio, the mechanism and the two species, and carries the model's conditions. Entries covering those conditions are preferred to entries silent about them, which are preferred to entries that exclude them. Among those, the entry stating the most wins.
A tie is an error. Two entries equally applicable to one query mean the database has not decided, and an engine that chose would hide a disagreement in the literature behind a lookup. The message names the citations in conflict, so the choice can be made where it belongs, by the person writing the model.
Contributing an entry
An entry needs a ratio, a mechanism, the two species, a value, and a citation. An entry that cannot name its source cannot go in. The format is described in the companion formats, and corrections are welcome at colin.ferrari@igl-lang.org.