Validation Data for Grid-Free PC-SAFT Density Root Finding Using Dispersion-Strength Homotopy and Adaptive Pseudo-Arclength Continuation
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This dataset accompanies the manuscript “A PC-SAFT Density Root-Finding Method Based on Dispersion-Strength Homotopy and Pseudo- Arclength Continuation.” It contains the frozen numerical evidence used to evaluate a grid-free PC-SAFT density root-finding method based on dispersion-strength homotopy and adaptive pseudo-arclength continuation. The archive includes topology and derivative audits for 2,180 homotopy paths; complete-root results for 100,000 test states containing 297,641 independently verified reference roots; equal-completeness accuracy, computational-cost, and timing comparisons; results for six continuation strategies on 5,000 folded mixture paths; and a structural-condition audit covering 20,523 source isotherms. It also provides the PC-SAFT model parameters, system definitions, figure-source data, file-level checksums, and a claim- to-evidence registry linking the main findings to the corresponding data files. The archive contains research data and metadata only. Computational source code and manuscript source files are not included.



