CLC number: O6-39
On-line Access: 2024-08-27
Received: 2023-10-17
Revision Accepted: 2024-05-08
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DU Zhi-qiang, CHEN Cheng-long. Molecular dynamics simulation study on behaviors of liquid 1,2-dichloroethane under external electric fields[J]. Journal of Zhejiang University Science A, 2003, 4(1): 69-75.
@article{title="Molecular dynamics simulation study on behaviors of liquid 1,2-dichloroethane under external electric fields",
author="DU Zhi-qiang, CHEN Cheng-long",
journal="Journal of Zhejiang University Science A",
volume="4",
number="1",
pages="69-75",
year="2003",
publisher="Zhejiang University Press & Springer",
doi="10.1631/jzus.2003.0069"
}
%0 Journal Article
%T Molecular dynamics simulation study on behaviors of liquid 1,2-dichloroethane under external electric fields
%A DU Zhi-qiang
%A CHEN Cheng-long
%J Journal of Zhejiang University SCIENCE A
%V 4
%N 1
%P 69-75
%@ 1869-1951
%D 2003
%I Zhejiang University Press & Springer
%DOI 10.1631/jzus.2003.0069
TY - JOUR
T1 - Molecular dynamics simulation study on behaviors of liquid 1,2-dichloroethane under external electric fields
A1 - DU Zhi-qiang
A1 - CHEN Cheng-long
J0 - Journal of Zhejiang University Science A
VL - 4
IS - 1
SP - 69
EP - 75
%@ 1869-1951
Y1 - 2003
PB - Zhejiang University Press & Springer
ER -
DOI - 10.1631/jzus.2003.0069
Abstract: molecular dynamics simulation was carried out to study the behavior of liquid 1,2-dichloroethane molecules under external electric fields including direct current field, alternating current field and positive-half-period cosin field. The maximum applied field strength was 108 V/m, the maximum frequency of the alternating current field and that of the positive-half-period cosine field was 1012 Hz. The simulation revealed that the field type and field strength act on the population of the molecular configuration. In the strong direct current field, all trans forms converted completely into gauche forms. Order parameter and the correlation of the system torsion angle were also investigated. The results suggested that these two dynamical parameters depended also on the field type and the field strength. The maximum of order parameter was found to be at 0.6 in the strong direct current field.
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