Evolution of self-diffusion and local structure in some amines over a wide temperature range at high pressures: a molecular dynamics simulation study

Huajie Feng; Xin Liu; Wei Gao; Xiaojuan Chen; Jing Wang; Liuping Chen; Hans-Dietrich Lüdemann

doi:10.1039/c0cp00337a

Evolution of self-diffusion and local structure in some amines over a wide temperature range at high pressures: a molecular dynamics simulation study

Physical Chemistry Chemical Physics ◽

10.1039/c0cp00337a ◽

2010 ◽

Vol 12 (45) ◽

pp. 15007 ◽

Cited By ~ 16

Author(s):

Huajie Feng ◽

Xin Liu ◽

Wei Gao ◽

Xiaojuan Chen ◽

Jing Wang ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Wide Temperature Range ◽

Local Structure ◽

High Pressures ◽

Dynamics Simulation ◽

Temperature Range ◽

Self Diffusion

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Molecular Dynamics Simulation Study of Skin Lipids: Effects of the Molar Ratio of Individual Components over a Wide Temperature Range

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b02093 ◽

2015 ◽

Vol 119 (35) ◽

pp. 11643-11655 ◽

Cited By ~ 42

Author(s):

Rakesh Gupta ◽

Beena Rai

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Wide Temperature Range ◽

Dynamics Simulation ◽

Molar Ratio ◽

Skin Lipids ◽

Temperature Range

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Molecular dynamics simulation of the Ba1−xGdxF2+x system in a wide temperature range

Solid State Ionics ◽

10.1016/s0167-2738(03)00028-6 ◽

2003 ◽

Vol 159 (1-2) ◽

pp. 49-62 ◽

Cited By ~ 3

Author(s):

I Gotlib

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Wide Temperature Range ◽

Dynamics Simulation ◽

Temperature Range

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Molecular insights into the role of char-bound hydrogen in char-NO reactions under high pressures: A reactive molecular dynamics simulation study

Fuel ◽

10.1016/j.fuel.2021.121997 ◽

2022 ◽

Vol 308 ◽

pp. 121997

Author(s):

Dikun Hong ◽

Ming Lei ◽

Shuang Yue ◽

Chunbo Wang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

High Pressures ◽

Dynamics Simulation ◽

Reactive Molecular Dynamics

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A Molecular Dynamics Simulation Study of the Density and Temperature Dependence of Self-diffusion in a “Sphere-cylinder” Micropore

Molecular Simulation ◽

10.1080/08927029108022454 ◽

1991 ◽

Vol 7 (1-2) ◽

pp. 121-134 ◽

Cited By ~ 7

Author(s):

T. Demi ◽

D. Nicholson

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Temperature Dependence ◽

Simulation Study ◽

Dynamics Simulation ◽

Self Diffusion

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Molecular dynamics simulation study of self-diffusion for penetrable-sphere model fluids

Physical Review E ◽

10.1103/physreve.82.051202 ◽

2010 ◽

Vol 82 (5) ◽

Cited By ~ 11

Author(s):

Soong-Hyuck Suh ◽

Chun-Ho Kim ◽

Soon-Chul Kim ◽

Andrés Santos

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Sphere Model ◽

Self Diffusion ◽

Model Fluids

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Molecular dynamics simulation of the reciprocal fused LiF–KBr mixture: local structure and self-diffusion coefficients

Molecular Simulation ◽

10.1080/08927022.2013.774087 ◽

2013 ◽

Vol 39 (11) ◽

pp. 868-874 ◽

Cited By ~ 5

Author(s):

Mikhail Kobelev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Diffusion Coefficients ◽

Local Structure ◽

Dynamics Simulation ◽

Self Diffusion

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Molecular Dynamics Simulation Study for Self-diffusion Coefficients of the Scaled OSS2 Water

Bulletin of the Korean Chemical Society ◽

10.5012/bkcs.2009.30.9.2158 ◽

2009 ◽

Vol 30 (9) ◽

pp. 2158-2160 ◽

Cited By ~ 3

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Diffusion Coefficients ◽

Dynamics Simulation ◽

Self Diffusion

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Structure of liquid Sn over a wide temperature range from neutron scattering experiments and first-principles molecular dynamics simulation: A comparison to liquid Pb

Physical Review B ◽

10.1103/physrevb.67.064201 ◽

2003 ◽

Vol 67 (6) ◽

Cited By ~ 70

Author(s):

T. Itami ◽

S. Munejiri ◽

T. Masaki ◽

H. Aoki ◽

Y. Ishii ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Wide Temperature Range ◽

First Principles ◽

Dynamics Simulation ◽

Temperature Range ◽

Structure Of Liquid ◽

First Principles Molecular Dynamics

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Self-diffusion near symmetrical tilt grain boundaries in UO2 matrix: A molecular dynamics simulation study

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2009.03.059 ◽

2009 ◽

Vol 392 (1) ◽

pp. 114-120 ◽

Cited By ~ 32

Author(s):

E. Vincent-Aublant ◽

J-M. Delaye ◽

L. Van Brutzel

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Grain Boundaries ◽

Simulation Study ◽

Dynamics Simulation ◽

Self Diffusion ◽

Symmetrical Tilt

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Local structure and mobility of ions in polymer electrolytes: A molecular dynamics simulation study of the amorphous PEOxNaI system

The Journal of Chemical Physics ◽

10.1063/1.471033 ◽

1996 ◽

Vol 104 (10) ◽

pp. 3797-3809 ◽

Cited By ~ 56

Author(s):

Sylvie Neyertz ◽

David Brown

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Polymer Electrolytes ◽

Local Structure ◽

Dynamics Simulation ◽

Mobility Of Ions

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