V-structures of ethylene glycol and monoethanolamine in the temperature range of the liquid phase
- 作者: Balabaev N.K.1, Rodnikova M.N.2, Solonina I.A.2, Shirokova E.V.2, Sirotkin D.A.2
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隶属关系:
- Institute of Mathematical Problems of Biology
- Kurnakov Institute of General and Inorganic Chemistry
- 期: 卷 91, 编号 1 (2017)
- 页面: 195-200
- 栏目: Short Communications
- URL: https://bakhtiniada.ru/0036-0244/article/view/169212
- DOI: https://doi.org/10.1134/S0036024417010058
- ID: 169212
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详细
Vibration-averaged V-structures for liquid ethylene glycol (EG) and monoethanolamine (MEA) are found in the temperature range of the solvents’ liquid phase by means of molecular dynamics. The obtained V-structures’ characteristics are compared to X-ray diffraction data on the crystalline phases of these compounds. Good agreement between theoretical and experimental data is observed. The V-structures are compared to that of water.
作者简介
N. Balabaev
Institute of Mathematical Problems of Biology
Email: rodnikova@igic.ras.ru
俄罗斯联邦, Moscow, 142290
M. Rodnikova
Kurnakov Institute of General and Inorganic Chemistry
编辑信件的主要联系方式.
Email: rodnikova@igic.ras.ru
俄罗斯联邦, Moscow, 119991
I. Solonina
Kurnakov Institute of General and Inorganic Chemistry
Email: rodnikova@igic.ras.ru
俄罗斯联邦, Moscow, 119991
E. Shirokova
Kurnakov Institute of General and Inorganic Chemistry
Email: rodnikova@igic.ras.ru
俄罗斯联邦, Moscow, 119991
D. Sirotkin
Kurnakov Institute of General and Inorganic Chemistry
Email: rodnikova@igic.ras.ru
俄罗斯联邦, Moscow, 119991
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