Structural analysis of sulfuric acid solutions containing Ti and Mn using x-ray diffraction, x-ray absorption fine structure, and molecular dynamics simulation

Kazuya Tokuda; Junji Iihara; Yoshihiro Saito; Atsunobu Masuno; Hiroyuki Inoue

doi:10.1063/1.5024950

Structural analysis of sulfuric acid solutions containing Ti and Mn using x-ray diffraction, x-ray absorption fine structure, and molecular dynamics simulation

The Journal of Chemical Physics ◽

10.1063/1.5024950 ◽

2018 ◽

Vol 149 (1) ◽

pp. 014503 ◽

Cited By ~ 3

Author(s):

Kazuya Tokuda ◽

Junji Iihara ◽

Yoshihiro Saito ◽

Atsunobu Masuno ◽

Hiroyuki Inoue

Keyword(s):

Molecular Dynamics ◽

Fine Structure ◽

Sulfuric Acid ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Acid Solutions ◽

X Ray Diffraction ◽

X Ray ◽

Sulfuric Acid Solutions ◽

X Ray Absorption

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An EXAFS(Extended X-ray Absorption Fine Structure) Study of LiBr Aqueous Solutions Using Molecular Dynamics simulation.

TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series B ◽

10.1299/kikaib.63.3737 ◽

1997 ◽

Vol 63 (615) ◽

pp. 3737-3744

Author(s):

Hirofumi DAIGUJI ◽

Eiji HIHARA

Keyword(s):

Molecular Dynamics ◽

Fine Structure ◽

Molecular Dynamics Simulation ◽

Aqueous Solutions ◽

Structure Study ◽

Dynamics Simulation ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption

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Extended x-ray absorption fine structure and molecular dynamics simulation studies on the structure of CuX- and AgX-based glasses (X = Cl, Br and I)

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/10/23/008 ◽

1998 ◽

Vol 10 (23) ◽

pp. 5007-5025 ◽

Cited By ~ 4

Author(s):

Kohei Kadono ◽

Masanori Shojiya ◽

Hiroyuki Kageyama ◽

Nagao Kamijo ◽

Yoji Kawamoto ◽

...

Keyword(s):

Molecular Dynamics ◽

Fine Structure ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Studies ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption

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Structure and predicted near edge x-ray absorption fine structure spectra for the surface of liquid formamide from molecular-dynamics simulation

The Journal of Chemical Physics ◽

10.1063/1.1285883 ◽

2000 ◽

Vol 113 (8) ◽

pp. 3374-3380 ◽

Cited By ~ 4

Author(s):

Mark C. Wojcik ◽

Kersti Hermansson ◽

Hans O. G. Siegbahn

Keyword(s):

Molecular Dynamics ◽

Fine Structure ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption

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An EXAFS (extend X-ray absorption fine structure) study of aqueous lithium bromide solutions using molecular dynamics simulation

Heat Transfer-Asian Research ◽

10.1002/(sici)1523-149x(1999)28:6<513::aid-htj8>3.3.co;2-l ◽

1999 ◽

Vol 28 (6) ◽

pp. 513

Author(s):

Hirofumi Daiguji ◽

Eiji Hihara

Keyword(s):

Molecular Dynamics ◽

Fine Structure ◽

Molecular Dynamics Simulation ◽

Lithium Bromide ◽

Structure Study ◽

Dynamics Simulation ◽

X Ray ◽

Aqueous Lithium Bromide ◽

X Ray Absorption ◽

Bromide Solutions

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Molecular Dynamics Simulation of Collapsing Phase for a Sonoluminescing Gas Bubble in Sulfuric Acid Solutions: A Comparative Study with Theoretical Results

Journal of the Physical Society of Japan ◽

10.1143/jpsj.76.024301 ◽

2007 ◽

Vol 76 (2) ◽

pp. 024301 ◽

Cited By ~ 3

Author(s):

Ki Young Kim ◽

Ho-Young Kwak ◽

Jong Hyun Kim

Keyword(s):

Molecular Dynamics ◽

Sulfuric Acid ◽

Molecular Dynamics Simulation ◽

Comparative Study ◽

Dynamics Simulation ◽

Gas Bubble ◽

Acid Solutions ◽

Sulfuric Acid Solutions ◽

Theoretical Results

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An EXAFS (extend X-ray absorption fine structure) study of aqueous lithium bromide solutions using molecular dynamics simulation

Heat Transfer-Asian Research ◽

10.1002/(sici)1523-1496(1999)28:6<513::aid-htj8>3.0.co;2-u ◽

1999 ◽

Vol 28 (6) ◽

pp. 513-527 ◽

Cited By ~ 1

Author(s):

Hirofumi Daiguji ◽

Eiji Hihara

Keyword(s):

Molecular Dynamics ◽

Fine Structure ◽

Molecular Dynamics Simulation ◽

Lithium Bromide ◽

Structure Study ◽

Dynamics Simulation ◽

X Ray ◽

Aqueous Lithium Bromide ◽

X Ray Absorption ◽

Bromide Solutions

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X-ray diffraction "fingerprinting" of DNA structure in solution for quantitative evaluation of molecular dynamics simulation

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.0600022103 ◽

2006 ◽

Vol 103 (10) ◽

pp. 3534-3539 ◽

Cited By ~ 71

Author(s):

X. Zuo ◽

G. Cui ◽

K. M. Merz ◽

L. Zhang ◽

F. D. Lewis ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Quantitative Evaluation ◽

Dna Structure ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray ◽

Structure In Solution

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Structural study of molten pseudo-binary B2O3Na2O · 2SiO2 system by X-ray diffraction and molecular dynamics simulation

Journal of Non-Crystalline Solids ◽

10.1016/s0022-3093(05)80568-x ◽

1992 ◽

Vol 143 ◽

pp. 201-206 ◽

Cited By ~ 6

Author(s):

Hiroshi Ogawa ◽

Kazumasa Sugiyama ◽

Yoshio Waseda ◽

Yutaka Shiraishi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structural Study ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray

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Structural analysis of a molten (Li-Na-K)Cl mixture of the eutectic composition by means of X-ray diffraction and molecular dynamics simulation.

NIPPON KAGAKU KAISHI ◽

10.1246/nikkashi.1986.1492 ◽

1986 ◽

pp. 1492-1500 ◽

Cited By ~ 5

Author(s):

Akira ENDOH ◽

Toshio YAMAGUCHI ◽

Isao OKADA ◽

Hitoshi OHTAKI

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structural Analysis ◽

Eutectic Composition ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray

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An atomistic study of the structural changes in a Zr–Cu–Ni–Al glass-forming liquid on vitrification monitored in-situ by X-ray diffraction and molecular dynamics simulation

Intermetallics ◽

10.1016/j.intermet.2020.106795 ◽

2020 ◽

Vol 122 ◽

pp. 106795

Author(s):

D.V. Louzguine-Luzgin ◽

K. Georgarakis ◽

J. Andrieux ◽

L. Hennet ◽

T. Morishita ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structural Changes ◽

Dynamics Simulation ◽

X Ray Diffraction ◽

X Ray ◽

Glass Forming ◽

Atomistic Study

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