کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5412798 1506609 2010 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Extension of the chemical associating lattice model (CALM) to cross association
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Extension of the chemical associating lattice model (CALM) to cross association
چکیده انگلیسی
Recently the chemical association lattice model (CALM) was introduced and applied to the calculation of excess functions and phase equilibria of binary and ternary systems with one associating component. In this paper CALM is extended to the case of cross association in binary systems. On the one hand, the model is applied to binary systems consisting of two associating components (methanol + water, ethanol + water, methanol + aniline). On the other hand binary systems consisting of a strong polar component and an associating component are studied (2-butanone + methanol, 2-butanone + ethanol, trichlormethane + methanol). Molecules as 2-butanone and trichlormethane do not form self associates but are able to form cross associates if an associating second component is present. Generally, excess Gibbs energy, excess enthalpy and vapor-liquid equilibrium are calculated and compared to experimental data. Except the excess enthalpy of the system ethanol + water there is a good agreement of the calculated data with the experimental ones.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 156, Issues 2–3, 30 September 2010, Pages 171-178
نویسندگان
,