Use of COSMO-SAC to determine the activity coefficient and predict phase equilibrium of binary systems involving methanol, glycerol and water

Use of COSMO-SAC to determine the activity coefficient and predict phase equilibrium of binary systems involving methanol, glycerol and water

Daniela F. Borghi, Charlles R. A. Abreu, Reginaldo Guirardello

ARTIGO

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With advances in computational chemistry, phase behavior predictions without any experimental data are becoming possible. Models based on COSMO (COnductor-like Screening MOdels) are viable alternatives to group-contribution methods. These methods may be used to determine the activity coefficient of...

COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIOR - CAPES

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Use of COSMO-SAC to determine the activity coefficient and predict phase equilibrium of binary systems involving methanol, glycerol and water

Daniela F. Borghi, Charlles R. A. Abreu, Reginaldo Guirardello


										

Use of COSMO-SAC to determine the activity coefficient and predict phase equilibrium of binary systems involving methanol, glycerol and water

Daniela F. Borghi, Charlles R. A. Abreu, Reginaldo Guirardello

    Fontes

    Chemical engineering transactions

    Vol. 43 (2015), p. 1879-1884