Effect of Na Ions on Melt Structure and Viscosity of CaO–SiO2–Na2O by Molecular Dynamics Simulations

ISIJ International ◽

10.2355/isijinternational.isijint-2020-635 ◽

2021 ◽

Vol 61 (5) ◽

pp. 1389-1395

Author(s):

Xiaobo Zhang ◽

Chengjun Liu ◽

Maofa Jiang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Melt Structure ◽

Na Ions ◽

Dynamics Simulations

Download Full-text

Effect of Fluorine on Melt Structure for CaO–SiO2–CaF2 and CaO–Al2O3–CaF2 by Molecular Dynamics Simulations

ISIJ International ◽

10.2355/isijinternational.isijint-2020-002 ◽

2020 ◽

Vol 60 (10) ◽

pp. 2176-2182

Author(s):

Xiaobo Zhang ◽

Chengjun Liu ◽

Maofa Jiang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Melt Structure ◽

Dynamics Simulations

Download Full-text

Influence of Mg2+, SO42− and Na+ ions of sea water in crude oil recovery: DFT and ab initio molecular dynamics simulations

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/j.colsurfa.2017.12.009 ◽

2018 ◽

Vol 539 ◽

pp. 53-58 ◽

Author(s):

Sanjay Prabhakar ◽

Roderick Melnik

Keyword(s):

Molecular Dynamics ◽

Crude Oil ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Oil Recovery ◽

Sea Water ◽

Ab Initio Molecular Dynamics ◽

Na Ions ◽

Dynamics Simulations

Download Full-text

Molecular Dynamics Simulations of Melt Structure Properties of CaO–Al2O3–Na2O Slag

Metallurgical and Materials Transactions B ◽

10.1007/s11663-021-02184-9 ◽

2021 ◽

Author(s):

Xiaobo Zhang ◽

Chengjun Liu ◽

Maofa Jiang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Melt Structure ◽

Dynamics Simulations ◽

Structure Properties

Download Full-text

Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

Download Full-text

Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

Download Full-text

ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

Download Full-text

Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

Download Full-text

Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Download Full-text

Molecular Dynamics Simulations of Retrograde Condensation in Nanoporous Shale

Proceedings of the 3rd Unconventional Resources Technology Conference ◽

10.15530/urtec-2015-2172738 ◽

2015 ◽

Author(s):

William R. Welch ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Retrograde Condensation ◽

Dynamics Simulations

Download Full-text

MOLECULAR DYNAMICS SIMULATIONS OF RAYLEIGH AND FIRST WIND-INDUCED BREAKUP

Atomization and Sprays ◽

10.1615/atomizspr.2011002906 ◽

2011 ◽

Vol 21 (4) ◽

pp. 275-281 ◽

Author(s):

Kurt F. Ludwig ◽

Michael Micci

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

Download Full-text