نتایج جستجو برای: molecular simulation

تعداد نتایج: 1167011  

Journal: :Colloids and Surfaces A: Physicochemical and Engineering Aspects 2022

The long-term stability of nanobubbles with high internal gas pressure is a puzzling question for nanobubble researchers. classical Molecular Dynamics simulation based on LAMMPS software was used to evaluate the performance an oxygen density. This research consists two main cases. In first case, bubble behavior examined 3247 O2 molecules embedded in 4.5 nm radius spherical volume represent and ...

Journal: :Annual Review of Physical Chemistry 2021

Many key industrial processes, from electricity production, conversion, and storage to electrocatalysis or electrochemistry in general, rely on physical mechanisms occurring at the interface between a metallic electrode an electrolyte solution, summarized by concept of electric double layer, with accumulation/depletion electrons metal side ions liquid side. While electrostatic interactions play...

Journal: :Journal of Materials and Environmental Sciences 2018

Journal: :Biochimica et Biophysica Acta (BBA) - Biomembranes 2016

Journal: :Journal of Computational Chemistry 2015

Journal: :Journal of Thermophysics and Heat Transfer 2001

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