Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 9(24), p. 5351-5359, 2022
DOI: 10.1039/d1cp05143a
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Molecular simulation of linear octacosane via a CG10 coarse grain scheme
Journal article published in 2022 by
L. Dai 
,
S. Chakraborty,
G. Wu ,
J. Ye ,
Y. H. Lau,
H. Ramanarayan,
D. T. Wu
,
S. Chakraborty,
G. Wu ,
J. Ye ,
Y. H. Lau,
H. Ramanarayan,
D. T. Wu
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Abstract
Following our previous work on the united-atom simulation on octacosane (C28H58) (Dai et al., Phys. Chem. Chem. Phys., 2021, 23, 21262–21271), we developed a coarse grain scheme (CG10), which is able to reproduce the pivotal phase characteristics of octacosane with highly improved computational efficiency.