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miscibility-analysis

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A comprehensive toolkit for predicting drug-polymer and drug-solvent system behavior using the COSMO-SAC model, aimed at enhancing the development of pharmaceutical amorphous solid dispersions and miscibility studies.

  • Updated Jun 30, 2025
  • Python

This Python program constructs a ternary phase diagram of the water-acetone-1-butanol system with the help of the "python-ternary" module by Marcharper. Experimentally-obtained volume fractions of each liquid component are provided as the source data. This was created as part of Experiment #5 of CHEM 171.41 LAB (Physical Chemistry 1 LAB).

  • Updated Dec 2, 2024
  • Python

ThermoSAC is a high-throughput Python package for liquid–liquid equilibrium (LLE) prediction with the COSMO‑SAC model. It features automated Gibbs energy screening, binodal tracing, and anomaly detection across thousands of binary systems, enabling reproducible, parameter-free phase equilibrium analysis for solvent screening and process design.

  • Updated Jul 27, 2025
  • Python

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