کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
4768215 1424531 2016 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Including dispersive interactions in the F-SAC model
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
Including dispersive interactions in the F-SAC model
چکیده انگلیسی
The recently introduced F-SAC (Functional-Segment Activity Coefficient) model combines the group contribution idea with a COSMO-RS surface contacting theory. This model has a reduced dependency on binary interaction parameters when compared to classical UNIFAC type models and improved accuracy when compared with COSMO based models. In the present work a modified F-SAC formulation is proposed for including dispersive interactions. For testing the modification, experimental data of alkanes, cycloalkanes, alkenes and perfluorocarbons were considered. The proposed model was able to correlate pure compound enthalpies of vaporization, not considered in previous versions of the model. Regarding mixture infinite dilution activity coefficient and vapor-liquid equilibrium data, the modified model maintained the good performance of the original model, also similar to other competing models such as UNIFAC variants. Additionally, the modified model now can compute consistent values for the excess enthalpy and entropy for systems where the interactions are mainly dispersive. For these systems, most activity coefficient models predict zero excess enthalpies, counterbalancing that with distorted excess entropies.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fluid Phase Equilibria - Volume 426, 25 October 2016, Pages 56-64
نویسندگان
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