Structural changes in water exposed to electric fields: A molecular dynamics study
作者： M. Druchok , M. Holovko
DOI: 10.1016/J.MOLLIQ.2015.03.032
关键词: Hydrolysis 、 Chemical physics 、 Molecule 、 Inorganic chemistry 、 Molecular dynamics 、 Properties of water 、 Chemistry 、 Range (particle radiation) 、 Ion 、 Aqueous solution 、 Electric field
摘要: Abstract The aim of this contribution is to study the changes structural and dynamic properties water molecules exposed electric fields, external ones or generated by ions. For purpose a set molecular dynamics simulations has been performed for series systems modeling aqueous electrolyte solutions pure water. Two Na+ UO22 + ions were considered. presenting fields different strength in range E = (0.25 ÷ 2.5) × 109 V/m. within studied are able slow down even crystallize system. act rather locally but can induce reorientation hydrolysis neighboring molecules.
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