کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
6659835 | 1426195 | 2018 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Interaction of D-panthenol with water molecules - Experimental and computational study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Physicochemical properties and nature of the interactions in {D-panthenolâ¯+â¯H2O} mixtures have been investigated measuring density and viscosity over the whole composition range in the temperature range from Tâ¯=â¯(293.15 to 313.15)â¯K at atmospheric pressure (pâ¯=â¯1·105â¯Pa). From the theoretical aspects molecular dynamics (MD) simulations and radial distribution functions (RDFs) have been applied in order to understand the nature of interactions and water structuring in the studied system. The effect of D-panthenol molecules on the structural organization of water were studied through excess molar volumes, apparent molar volumes of D-panthenol, partial molar volumes of D-panthenol and water, viscosity B-coefficients and hydration number. It was found that hydroxyl groups of D-panthenol are responsible for forming cavities between D-panthenol molecules in which water molecules can be incorporated.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: The Journal of Chemical Thermodynamics - Volume 118, March 2018, Pages 34-42
Journal: The Journal of Chemical Thermodynamics - Volume 118, March 2018, Pages 34-42
نویسندگان
Milan VraneÅ¡, Jovana PaniÄ, Aleksandar Tot, Snežana PapoviÄ, Maksim RapaiÄ, Slobodan GadžuriÄ,