Output details
12 - Aeronautical, Mechanical, Chemical and Manufacturing Engineering
University of Brighton
Article title
Molecular dynamics study on evaporation and condensation of n-dodecane at liquid-vapor phase equilibria
Type
D - Journal article
Title of journal
Journal of Chemical Physics
Article number
164309
Volume number
134
Issue number
16
First page of article
0
ISSN of journal
0021-9606
Year of publication
2011
Number of additional authors
2
Additional information
In this paper, the work on which was supported by EPSRC grant EP/H001603/1, a new molecular dynamics model to the dynamics of n-dodecane molecules has been suggested and validated. This model is based on the observation that methyl (CH3) and methylene (CH2) groups in n-dodecane molecules can be regarded as united atoms (hydrogen atoms are not modelled separately as distinct atoms, which led to substantial reduction of computer time without sacrificing the accuracy of calculations). This paper led to successful application for the new EPSRC grant EP/J006793/1, the work on which is ongoing.
Interdisciplinary
-
Cross-referral requested
-
Research group
None
Proposed double-weighted
No
Double-weighted statement
-
Reserve for a double-weighted output
No
Non-English
No
English abstract
-
