Competing structures within the first shell of liquid C2Cl6: a molecular dynamics study
Visualitza/Obre
10.1016/j.molliq.2013.10.030
Inclou dades d'ús des de 2022
Cita com:
hdl:2117/86473
Tipus de documentArticle
Data publicació2014-02-28
Condicions d'accésAccés obert
Llevat que s'hi indiqui el contrari, els
continguts d'aquesta obra estan subjectes a la llicència de Creative Commons
:
Reconeixement-NoComercial-SenseObraDerivada 3.0 Espanya
Abstract
We present a detailed study on the liquid structure of hexachloroethane (C2Cl6) within the first shell using the proper Euler-angles convention. Molecular dynamics is used and the van der Waals picture of a liquid is taken as the main phenomenology. Particular attention is paid to the first neighbor structure studying the distance of the center of mass (CM) and relative orientation arrangements. The distance dependence of the orientation and location of closer neighbors is studied up to the fourth neighbor (the maximum of first peak of the CM radial distribution function). An unusual arrangement in the first neighbor is seen.
CitacióHenao, A., Pothoczki, S., Canales, M., Guardia, E., Pardo, L. Competing structures within the first shell of liquid C2Cl6: a molecular dynamics study. "Journal of molecular liquids", 28 Febrer 2014, vol. 190, p. 121-125.
ISSN0167-7322
Versió de l'editorhttp://www.sciencedirect.com/science/article/pii/S0167732213003620
Fitxers | Descripció | Mida | Format | Visualitza |
---|---|---|---|---|
henao.pdf | 3,628Mb | Visualitza/Obre |