Title of article :
A conjugation-based version of the UNIFAC method
Author/Authors :
Foisy، نويسنده , , Michele and Takamoto، نويسنده , , Dawn and Mavrovouniotis، نويسنده , , Michael L.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1997
Abstract :
A modification of the UNIFAC method is proposed, reducing the set of groups to individual atoms. The effects of the environment of each atom are captured by the conjugation operators in which it participates, based on the ABC property estimation approach. The proposed modified method is applied to the infinite-dilution activity coefficients in binary systems of alkanes, alcohols, amines, and ethers.
Keywords :
Molecular interactions , Excess functions , Theory , Methods of calculation
Journal title :
Fluid Phase Equilibria
Journal title :
Fluid Phase Equilibria