Article : texte imprimé

Perspective for extended group-contribution methods for the prediction of activity coefficients accounting for sterical effects. Linking UNIFAC and the group vector space method

Stephan Machefer, Auteur ; Martin Grasemann, Auteur ; Klaus Schnitzlein, Auteur |

Dans Industrial & engineering chemistry research (Vol. 47 n°24, Décembre 2008)

Group contribution methods for the calculation of an activity coefficient such as UNIFAC (universal factorial activity coefficient) currently do not take into account sterical effects. Consequently one of the major deficiencies of such methods i[...]

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