29 شهریور 1400

حسین اسلامی

مرتبه علمی:
نشانی: دانشکده علوم و فناوری نانو و زیستی - گروه شیمی
تحصیلات: شیمی
تلفن:
دانشکده: دانشکده علوم و فناوری نانو و زیستی

مشخصات پژوهش

عنوان Nanoconfined polymers: modelling and simulation approaches
نوع پژوهش مقالات در نشریات
کلیدواژه‌ها
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مجله MOLECULAR SIMULATION
شناسه DOI
پژوهشگران حسین اسلامی (نفر اول) ، فاطمه مهدی پور (نفر دوم) ، علیرضا ستوده (نفر سوم) ، محمد جعفر روزگار (نفر چهارم)

چکیده

In this article, application of molecular simulation methods for studying molecular pictures of nanoconfined polymers is reviewed and discussed. The simulation methods, covering a range from atomistic to systematically parameterised coarsegrained models, employed in the literature to study nanoconfined polymers are reviewed and their results are compared together. The effect of polymer–surface interactions, surface curvature and surface area on the alteration of polymer structure and dynamics from the unperturbed (bulk) polymer properties are discussed. The length scales over which the surface influences the polymer structure and dynamics and the magnitude of surface effect on dynamics deceleration in the interphase are addressed in terms of different local and global chain properties.