Unveiling the Constraints of COSMO-SAC for PEG-Water Liquid-Liquid Equilibrium Prediction
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This work studies the constraints of the COSMO-SAC model for predicting the liquid-liquid equilibrium (LLE) of polyethylene glycol (PEG) and water mixtures. The research extends the COSMO-SAC methodology to include polymer end groups in the σ-profile construc... ...
