Dispersion activity coefficient models. Part 3: A topology preserving group contribution model
نویسندگان
چکیده
The previously developed dispersion activity coefficient model (ACM) is extended from a molecular to group contribution (GC) providing results of equal accuracy as the model. Contrary other GC-ACMs presented GC-ACM preserves topology information each molecule in mixture. Therefore, contrast DISQUAC, UNIFAC or COSMOSAC, where eliminated by assignment groups construction sigma-profiles, this new methodology makes it possible quantify differences phase behavior between isomers multicomponent
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ژورنال
عنوان ژورنال: Fluid Phase Equilibria
سال: 2021
ISSN: ['0378-3812', '1879-0224']
DOI: https://doi.org/10.1016/j.fluid.2021.113097