Beatriz Lorenzo, Juan Ortega
This work presents an investigation on phase equilibria in partially miscible systems comprised of water, esters, and alkanols. Experimental liquid−liquid equilibria (LLE) were determined for ternaries of water+H2O−(C2−C6)H2n+1(OH) (n = 3, 4, 5, 6) and for the four corresponding water-ester binaries, in the temperature interval T = 283−323 K. The results reveal a complex behavior of the ternary LLE. The ester solely dissolves in the aqueous phase, even in the presence of alkanol (xmaxwater ≈ 0.75). Data modeling was carried out with a multicomponent model, obtaining an acceptable correlation with a maximum deviation in the compositions of S = 0.031 for the system water(1)-propyl butanoate(2)-propan-1-ol(3). Estimations with COSMO-RS and UNIFAC differed from experimental values in all cases, especially in the systems containing propan-1-ol; since both models predicted a normal immiscibility at 298.15 K in the binary water-propan-1-ol. Therefore, the simulation of the extracting process using UNIFAC was not adequate.
@article{046e9e86-ad9d-49f6-8a25-f512cf50247c,
title={Suitable Experimentation Modeling Binomi},
author={Beatriz Lorenzo and Juan Ortega},
year={2026},
language={en}
}TY - JOUR TI - Suitable Experimentation Modeling Binomi AU - Beatriz Lorenzo AU - Juan Ortega PY - 2026 LA - en ER -
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