Repository navigation
Water solubility in mineral lubricating oils: experiments and NeqSim models - #192
Merged
Merged
Conversation
EvenSol
marked this pull request as ready for review
October 12, 2026 08:17
This was referenced Oct 12, 2026
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Adds an executed study of dissolved-water saturation with sourced historical paraffin and lubricating-oil experiments, a separately labelled formulated 15W-40 comparator, and CPA/SRK calculations for four assumed mineral-oil characterizations. Includes one-point calibration versus held-out data, pressure/MW/density sensitivity, cooling water release, reusable CSV inputs, and five embedded figures.
Validation: all 12 code cells executed in a fresh Python 3.12.14 environment with Java 17.0.20 and source-built NeqSim master 9b1366b6d3f3a8f1b170fbd0c623692fa5252a1a (3.24.0). Phase coexistence, component balance, water fugacity equality and excess-water independence pass. Default CPA held-out paraffin MAPE is 2.87% conditional on assumed characterization and digitization. The one-point fit does not improve held-out accuracy.
Rendered review: nbconvert basic HTML with MathJax SVG; 23 expressions rendered without errors; every cell/table/equation and all five figures inspected through WeasyPrint. Repository notebook-checker tests: 6 passed; --all: 367 notebooks, zero errors, 47 pre-existing warnings; new notebook --require-main-source: zero errors/warnings. Static syntax, readability and Colab math gates passed.
Documentation impact: README and examples catalog updated; dedicated maintenance-ledger shard and index count updated.
Limitations: paraffin characterization and nominal pressure are assumed; figure digitization has reading envelopes; historical high-temperature measurements lack matching pressures; formulated-oil KF data are operational saturation values and do not validate additive-free mineral-oil EOS predictions. Density alone does not identify naphthenic chemistry. No confirmed NeqSim defect was discovered.
VALIDATION PENDING CI. Draft publication for review; no merge requested.