کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
6619453 | 460525 | 2016 | 12 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Interfacial tension and adsorption in the binary system ethanol and carbon dioxide: Experiments, molecular simulation and density gradient theory
ترجمه فارسی عنوان
تنش و جذب اینترفیس در سیستم دودویی اتانول و دی اکسید کربن: آزمایش، شبیه سازی مولکولی و نظریه گرادیان تراکم
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کلمات کلیدی
خواص اینترفیس، اتانول + دی اکسید کربن، آزمایشی تئوری شیب تراکم، دینامیک مولکولی،
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
چکیده انگلیسی
Data on the interfacial tension and adsorption are reported for the binary mixture of ethanol + carbon dioxide (CO2) as well as for pure ethanol. The data are obtained from experiments, molecular dynamics (MD) simulations, and density gradient theory in combination with the PC-SAFT equation of state (DGT + PC-SAFT). Experimental data of the interfacial tension are reported for 8 temperatures between 303 K and 373 K and pressures up to 6 MPa. The experimental data are compared to results from MD simulations and from DGT + PC-SAFT for which pressures up to 12 MPa are considered. From the experimental data, the relative adsorption of CO2â is obtained via the Gibbs adsorption equation using the PC-SAFT equation of state. Data on the relative adsorption of CO2â is also determined both from MD and DGT + PC-SAFT. The three data sets show good agreement. There is a substantial enrichment of CO2â at the interface. This is consistently predicted both by MD and DGT + PC-SAFT. The work shows that both MD and DGT + PC-SAFT are well suited for detailed studies of interfacial properties and that the independent methods yield similar predictions for those interfacial properties which cannot be studied experimentally.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fluid Phase Equilibria - Volume 427, 15 November 2016, Pages 476-487
Journal: Fluid Phase Equilibria - Volume 427, 15 November 2016, Pages 476-487
نویسندگان
Stefan Becker, Stephan Werth, Martin Horsch, Kai Langenbach, Hans Hasse,