Molecular dynamics simulation and in-situ MRI observation of organic exclusion during CO2 hydrate growth

Chemical Physics Letters ◽

10.1016/j.cplett.2020.138287 ◽

2021 ◽

Vol 764 ◽

pp. 138287

Author(s):

Lunxiang Zhang ◽

Lingjie Sun ◽

Yi Lu ◽

Yangmin Kuang ◽

Zheng Ling ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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Thermal and Nonthermal Microwave Effects of Ethanol and Hexane-Mixed Solution as Revealed by In Situ Microwave Irradiation Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c06383 ◽

2020 ◽

Vol 124 (43) ◽

pp. 9615-9624

Author(s):

Yugo Tasei ◽

Batsaikhan Mijiddorj ◽

Teruaki Fujito ◽

Izuru Kawamura ◽

Kazuyoshi Ueda ◽

...

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Microwave Irradiation ◽

Dynamics Simulation ◽

Resonance Spectroscopy ◽

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The interplay between the paracetamol polymorphism and its molecular structures dissolved in supercritical CO2 in contact with the solid phase: In situ vibration spectroscopy and molecular dynamics simulation analysis

European Journal of Pharmaceutical Sciences ◽

10.1016/j.ejps.2015.05.016 ◽

2015 ◽

Vol 77 ◽

pp. 48-59 ◽

Author(s):

Roman D. Oparin ◽

Myriam Moreau ◽

Isabelle De Walle ◽

Marco Paolantoni ◽

Abdenacer Idrissi ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Co2 ◽

Simulation Analysis ◽

Solid Phase ◽

Molecular Structures ◽

Dynamics Simulation ◽

Vibration Spectroscopy

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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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Innovative In‐situ Investigations Using Synchrotron‐based Micro Tomography and Molecular Dynamics Simulation for Fouling Assessment in Ceramic Membranes for Dairy and Food Industry

International Journal of Applied Ceramic Technology ◽

10.1111/ijac.13824 ◽

2021 ◽

Author(s):

Arash Mollahosseini ◽

Kyu Min Lee ◽

Amira Abdelrasoul ◽

Huu Doan ◽

Ning Zhu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Food Industry ◽

Ceramic Membranes ◽

Dynamics Simulation ◽

Micro Tomography

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Mechanical properties and mechanism of single crystal Cu pillar by in situ TEM compression and molecular dynamics simulation

Materials Research Express ◽

10.1088/2053-1591/aaad40 ◽

2018 ◽

Vol 5 (2) ◽

pp. 026516

Author(s):

Kai-Peng Lin ◽

Te-Hua Fang ◽

Ying-Jhin Lin

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Single Crystal ◽

Dynamics Simulation ◽

In Situ Tem ◽

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The evolution of dislocation loop and its interaction with pre-existing dislocation in He+-irradiated molybdenum: in-situ TEM observation and molecular dynamics simulation

Acta Materialia ◽

10.1016/j.actamat.2020.10.022 ◽

2020 ◽

Vol 201 ◽

pp. 462-476

Author(s):

Yipeng Li ◽

Guang Ran ◽

Yijia Guo ◽

Zhipeng Sun ◽

Xinyi Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dislocation Loop ◽

Dynamics Simulation ◽

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Silica-alumina liquids: in-situ study by high-temperature aluminum-27 NMR spectroscopy and molecular dynamics simulation

The Journal of Physical Chemistry ◽

10.1021/j100200a005 ◽

1992 ◽

Vol 96 (21) ◽

pp. 8220-8224 ◽

Author(s):

Brent T. Poe ◽

Paul F. McMillan ◽

Bertrand Cote ◽

Dominique Massiot ◽

Jean Pierre Coutures

Keyword(s):

Molecular Dynamics ◽

High Temperature ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Dynamics Simulation ◽

In Situ Study ◽

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In-situ desorption of acetaminophen from the surface of graphene oxide driven by an electric field: A study by molecular dynamics simulation

Chemical Engineering Journal ◽

10.1016/j.cej.2021.129391 ◽

2021 ◽

Vol 418 ◽

pp. 129391

Author(s):

Yong Han ◽

Shuren Ma ◽

Jun Ma ◽

Pascal Guiraud ◽

Xiaoqiang Guo ◽

...

Keyword(s):

Molecular Dynamics ◽

Graphene Oxide ◽

Molecular Dynamics Simulation ◽

Electric Field ◽

Dynamics Simulation

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In-situ TEM study and molecular dynamics simulation of dislocation loop evolution in FeCrAl alloys under Fe+ irradiation

Materials Today Energy ◽

10.1016/j.mtener.2021.100788 ◽

2021 ◽

pp. 100788

Author(s):

Yipeng Li ◽

Miaosen Yu ◽

Guang Ran ◽

Ning Gao ◽

Yang Chen ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dislocation Loop ◽

Dynamics Simulation ◽

In Situ Tem ◽

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In Situ Methane Recovery and Carbon Dioxide Sequestration in Methane Hydrates: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp2088675 ◽

2011 ◽

Vol 115 (51) ◽

pp. 15295-15302 ◽

Author(s):

Yen-Tien Tung ◽

Li-Jen Chen ◽

Yan-Ping Chen ◽

Shiang-Tai Lin

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Carbon Dioxide Sequestration ◽

Dynamics Simulation ◽

Methane Hydrates ◽

Methane Recovery

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