کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
200723 460511 2016 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Vapor–liquid equilibria in the binary mixtures of N-butylpyridinium hexafluorophophate and bis(trifluoromethanesulfonyl)imide ionic liquids with acetone: Molecular dynamics simulations
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
Vapor–liquid equilibria in the binary mixtures of N-butylpyridinium hexafluorophophate and bis(trifluoromethanesulfonyl)imide ionic liquids with acetone: Molecular dynamics simulations
چکیده انگلیسی

Vapor–liquid equilibria of the N-butylpyridinium hexafluorophosphate [BPY][PF6]-acetone and N-butylpyridinium bis(trifluoromethanesulfonyl)imide [BPY][TFSI]-acetone mixtures at 310–350 K were investigated using molecular dynamics (MD) simulations. A detailed analysis of the thermodynamic and dynamics properties is presented. The Raoult's law in conjunction with the van't Hoff parameter suggests a somewhat smaller boiling temperature increase then it is actually observed. The effect of both [BPY][PF6] and [BPY][TFSI] on the acetone phase behavior is similar. Neither free ions nor ion pairs were detected in the vapor phase. Ionic motion at the interface is much less correlated than in the bulk phase. The vapor–liquid interfaces of the investigated mixtures are deemed interesting for the applications of versatile ion-molecular mixtures.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fluid Phase Equilibria - Volume 419, 15 July 2016, Pages 75–83
نویسندگان
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