Translational rotational coupled motions in molten lithium nitrate

详细信息    查看全文

• 作者：Cartailler ; T. ; Hanna ; M. ; Turq ; P.
• 刊名：Journal of Molecular Liquids
• 出版年：1999
• 出版时间：December, 1999
• 年：1999
• 卷：83
• 期：1-3
• 页码：31-40
• 全文大小：273 K

文摘

The translational rotational coupled motions will be studied by molecular dynamics simulations in the case of molten lithium nitrate. Calculating separately the time dependent structure factor F(t, q) for the translation and for the rotation of oxygen atoms in nitrate ions we give an evaluation of the characteristic time of each phenomenum. We find that our results are in good agreement with experiments made in aqueous solutions. Then the coupling between these two kinds of motions is analyzed for several values of the space variable “q” in the Fourier space. We show that the coupling presents a maximum for q=2Å⁻¹ which corresponds to the “q” value where the static structure factor S(q) is maximum.