Data and figure sources for ePC-SAFT: an electrolyte equation-of-state engine with exact derivatives for phase and reaction equilibrium and parameter estimation
收藏资源简介:
Data and figure sources accompanying "ePC-SAFT: an electrolyte equation-of-state engine with exact derivatives for phase and reaction equilibrium and parameter estimation". The archive contains the selected data files used for the figures and computational-cost tables, plotted comparison values, figure scripts, LaTeX manuscript sources, and the main article and supporting information PDFs. Retained file versions are identified by their original paths and SHA-256 checksums. The data preserve the manuscript's distinctions between numerical verification, calibration, prediction, and comparison with measurements, including the stated conditions, uncertainty and unavailable cases. The document sources can be compiled using the included figure PDFs and bibliography snapshot. Repeating native calculations requires the corresponding Engine and study environments; the original figure-redraw script also expects its repository Git objects.



