Conformation and diffusion behavior of ring polymers in solution: A comparison between molecular dynamics, multiparticle collision dynamics, and lattice Boltzmann simulations

Govind A. Hegde; Jen-fang Chang; Yeng-long Chen; Rajesh Khare

doi:10.1063/1.3656761

Conformation and diffusion behavior of ring polymers in solution: A comparison between molecular dynamics, multiparticle collision dynamics, and lattice Boltzmann simulations

The Journal of Chemical Physics ◽

10.1063/1.3656761 ◽

2011 ◽

Vol 135 (18) ◽

pp. 184901 ◽

Cited By ~ 23

Author(s):

Govind A. Hegde ◽

Jen-fang Chang ◽

Yeng-long Chen ◽

Rajesh Khare

Keyword(s):

Molecular Dynamics ◽

Lattice Boltzmann ◽

Collision Dynamics ◽

Diffusion Behavior ◽

Multiparticle Collision Dynamics ◽

Lattice Boltzmann Simulations ◽

Ring Polymers ◽

And Diffusion

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Molecular dynamics simulations of the adsorption and diffusion behavior of pure and mixed alkanes in silicalite

Microporous and Mesoporous Materials ◽

10.1016/j.micromeso.2005.06.017 ◽

2005 ◽

Vol 85 (1-2) ◽

pp. 143-156 ◽

Cited By ~ 14

Author(s):

I. Hussain ◽

J.O. Titiloye

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Diffusion Behavior ◽

Dynamics Simulations ◽

And Diffusion

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Estimation of the liquid-vapor spinodal from interfacial properties obtained from molecular dynamics and lattice Boltzmann simulations

The Journal of Chemical Physics ◽

10.1063/1.2837805 ◽

2008 ◽

Vol 128 (11) ◽

pp. 114708 ◽

Cited By ~ 31

Author(s):

A. R. Imre ◽

G. Mayer ◽

G. Házi ◽

R. Rozas ◽

T. Kraska

Keyword(s):

Molecular Dynamics ◽

Lattice Boltzmann ◽

Interfacial Properties ◽

Lattice Boltzmann Simulations ◽

Liquid Vapor

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Atomic diffusion behavior and diffusion mechanism in Fe–Cu bimetal casting process studied by molecular dynamics simulation and experiment

Materials Research Express ◽

10.1088/2053-1591/abb90f ◽

2020 ◽

Vol 7 (9) ◽

pp. 096519

Author(s):

Guowei Zhang ◽

Yuanyuan Kang ◽

Mingjie Wang ◽

Hong Xu ◽

Hongmin Jia

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Diffusion Mechanism ◽

Casting Process ◽

Dynamics Simulation ◽

Atomic Diffusion ◽

Diffusion Behavior ◽

Simulation And Experiment ◽

And Diffusion

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Local Five-Fold Symmetry and Diffusion Behavior of Zr 64 Cu 36 Amorphous Alloy Based on Molecular Dynamics

Chinese Physics Letters ◽

10.1088/0256-307x/32/11/116101 ◽

2015 ◽

Vol 32 (11) ◽

pp. 116101 ◽

Cited By ~ 2

Author(s):

Wei Gao ◽

Shi-Dong Feng ◽

Li Qi ◽

Shi-Liang Zhang ◽

Ri-Ping Liu

Keyword(s):

Molecular Dynamics ◽

Amorphous Alloy ◽

Diffusion Behavior ◽

And Diffusion

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Lattice-Boltzmann Simulations of Flow and Diffusion through Porous Media

The Proceedings of the Fluids engineering conference ◽

10.1299/jsmefed.2003.230 ◽

2003 ◽

Vol 2003 (0) ◽

pp. 230

Author(s):

Hidemitsu HAYASHI

Keyword(s):

Porous Media ◽

Lattice Boltzmann ◽

Lattice Boltzmann Simulations ◽

And Diffusion

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Molecular Dynamics Study of Atomic Structure and Diffusion Behavior in Amorphous Silicon Nitride Containing Boron

Journal of the American Ceramic Society ◽

10.1111/j.1151-2916.2001.tb00990.x ◽

2004 ◽

Vol 84 (10) ◽

pp. 2213-2219 ◽

Cited By ~ 65

Author(s):

Katsuyuki Matsunaga ◽

Yuji Iwamoto

Keyword(s):

Molecular Dynamics ◽

Silicon Nitride ◽

Amorphous Silicon ◽

Atomic Structure ◽

Diffusion Behavior ◽

Amorphous Silicon Nitride ◽

And Diffusion

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Assessing the Adsorption and Diffusion Behavior of Multicomponent Ions in Saturated Calcium Silicate Hydrate Gel Pores Using Molecular Dynamics

ACS Sustainable Chemistry & Engineering ◽

10.1021/acssuschemeng.9b06817 ◽

2020 ◽

Vol 8 (9) ◽

pp. 3718-3727

Author(s):

Zhiyong Liu ◽

Dong Xu ◽

Sen Gao ◽

Yunsheng Zhang ◽

Jinyang Jiang

Keyword(s):

Molecular Dynamics ◽

Calcium Silicate ◽

Calcium Silicate Hydrate ◽

Diffusion Behavior ◽

And Diffusion

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A Study of the Adsorption and Diffusion Behavior of a Single Polydimethylsiloxane Chain on a Silicon Surface by Molecular Dynamics Simulation

Molecular Dynamics - Theoretical Developments and Applications in Nanotechnology and Energy ◽

10.5772/35720 ◽

2012 ◽

Author(s):

Dan Mu ◽

Jian-Quan Li

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Silicon Surface ◽

Dynamics Simulation ◽

Diffusion Behavior ◽

And Diffusion

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Density inhomogeneity and diffusion behavior of fluids in micropores by molecular-dynamics simulation

The Journal of Chemical Physics ◽

10.1063/1.1730059 ◽

2004 ◽

Vol 120 (22) ◽

pp. 10728-10735 ◽

Cited By ~ 12

Author(s):

Ying-Chun Liu ◽

Qi Wang ◽

Ling-Hong Lu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Density Inhomogeneity ◽

Diffusion Behavior ◽

And Diffusion

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The effect of hydrodynamic interactions on nanoparticle diffusion in polymer solutions: a multiparticle collision dynamics study

Soft Matter ◽

10.1039/c7sm01854a ◽

2017 ◽

Vol 13 (45) ◽

pp. 8625-8635 ◽

Cited By ~ 7

Author(s):

Anpu Chen ◽

Nanrong Zhao ◽

Zhonghuai Hou

Keyword(s):

Molecular Dynamics ◽

Polymer Solutions ◽

Md Simulations ◽

Simulation Method ◽

Hydrodynamic Interactions ◽

Collision Dynamics ◽

Mesoscale Simulation ◽

Multiparticle Collision Dynamics ◽

Nanoparticle Diffusion

The diffusion of nanoparticles (NPs) in polymer solutions is studied by a combination of a mesoscale simulation method, multiparticle collision dynamics (MPCD), and molecular dynamics (MD) simulations.

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