V-structures of ethylene glycol and monoethanolamine in the temperature range of the liquid phase


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Abstract

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.

About the authors

N. K. Balabaev

Institute of Mathematical Problems of Biology

Email: rodnikova@igic.ras.ru
Russian Federation, Moscow, 142290

M. N. Rodnikova

Kurnakov Institute of General and Inorganic Chemistry

Author for correspondence.
Email: rodnikova@igic.ras.ru
Russian Federation, Moscow, 119991

I. A. Solonina

Kurnakov Institute of General and Inorganic Chemistry

Email: rodnikova@igic.ras.ru
Russian Federation, Moscow, 119991

E. V. Shirokova

Kurnakov Institute of General and Inorganic Chemistry

Email: rodnikova@igic.ras.ru
Russian Federation, Moscow, 119991

D. A. Sirotkin

Kurnakov Institute of General and Inorganic Chemistry

Email: rodnikova@igic.ras.ru
Russian Federation, Moscow, 119991

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