scholarly journals Molecular Dynamics Study of Wetting and Adsorption of Binary Mixtures of the Lennard-Jones Truncated and Shifted Fluid on a Planar Wall

Langmuir ◽  
2021 ◽  
Author(s):  
Michaela Heier ◽  
Simon Stephan ◽  
Felix Diewald ◽  
Ralf Müller ◽  
Kai Langenbach ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Binary Mixtures ◽  
Lennard Jones ◽  
Planar Wall

Molecular-dynamics studies of binary mixtures of Lennard-Jones fluids with differing component sizes

1984 ◽  
Vol 16 (3) ◽  
pp. 241-253 ◽  
Author(s):  
PaweŁ Gierycz ◽  
Hideki Tanaka ◽  
Koichiro Nakanishi
Keyword(s):  
Molecular Dynamics ◽  
Binary Mixtures ◽  
Lennard Jones

Multicanonical Molecular Dynamics Simulation Study of the Liquid-Solid and Solid-Solid Transitions in Lennard-Jones Clusters

2011 ◽  
Author(s):  
Toshihiro Kaneko ◽  
Kenji Yasuoka ◽  
Ayori Mitsutake ◽  
Xiao Cheng Zeng
Keyword(s):  
Molecular Dynamics ◽  
Heat Capacity ◽  
Transition Temperature ◽  
Peak Position ◽  
Temperature Curve ◽  
Dynamics Simulation ◽  
Lennard Jones ◽  
Dynamics Simulations ◽  
First Time ◽  
Good Agreement

Multicanonical molecular dynamics simulations are applied, for the first time, to study the liquid-solid and solid-solid transitions in Lennard-Jones (LJ) clusters. The transition temperatures are estimated based on the peak position in the heat capacity versus temperature curve. For LJ31, LJ58 and LJ98, our results on the solid-solid transition temperature are in good agreement with previous ones. For LJ309, the predicted liquid-solid transition temperature is also in agreement with previous result.

Molecular Dynamics Simulations for Loading-Dependent Diffusion of CO2, SO2, CH4, and Their Binary Mixtures in ZIF-10: The Role of Hydrogen Bond

Langmuir ◽  
2017 ◽  
Vol 33 (42) ◽  
pp. 11543-11553 ◽  
Author(s):  
Li Li ◽  
Deshuai Yang ◽  
Trevor R. Fisher ◽  
Qi Qiao ◽  
Zhen Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Molecular Dynamics Simulations ◽  
Binary Mixtures ◽  
Dynamics Simulations
Sign in / Sign up

Export Citation Format

Share Document