کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
11026949 1666339 2018 33 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Molecular dynamics simulation of aqueous 1‑dodecyl‑3‑methylimidazolium chloride: Emerging micelles
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Molecular dynamics simulation of aqueous 1‑dodecyl‑3‑methylimidazolium chloride: Emerging micelles
چکیده انگلیسی
In this computational study, we investigate the morphology and dynamics of nanostructures formed by the ionic liquid 1‑dodecyl‑3‑methylimidazolium chloride [C12mim]Cl dissolved in water. Recent works emphasize the positive impact of this additive on various catalytic transformations. The assembling process revealed by molecular dynamics simulation is discussed in detail. For verification, small-angle X-ray scattering diffractograms and dielectric relaxation spectra are calculated from the trajectories and compared to experimental ones. For the latter, we offer an alternative hypothesis to the contemporary interpretation based on our component analysis.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 272, 15 December 2018, Pages 766-777
نویسندگان
, , , , , , ,