Effects of Free Volume on Shock-Wave Energy Absorption in A Metal–Organic Framework: A Molecular Dynamics Investigation

Shock Wave Energy Absorption in Metal–Organic Framework

Journal of the American Chemical Society ◽

10.1021/jacs.8b12905 ◽

2019 ◽

Vol 141 (6) ◽

pp. 2220-2223 ◽

Cited By ~ 8

Author(s):

Xuan Zhou ◽

Yu-Run Miao ◽

William L. Shaw ◽

Kenneth S. Suslick ◽

Dana D. Dlott

Keyword(s):

Shock Wave ◽

Energy Absorption ◽

Wave Energy ◽

Metal Organic Framework ◽

Shock Wave Energy ◽

Metal Organic ◽

Diffusion of long chain n-alkanes in the metal–organic framework MIL-47(V): A combination of neutron scattering experiments and molecular dynamics simulations

Microporous and Mesoporous Materials ◽

10.1016/j.micromeso.2012.06.056 ◽

2012 ◽

Vol 164 ◽

pp. 259-265 ◽

Cited By ~ 24

Author(s):

S. Rives ◽

H. Jobic ◽

F. Ragon ◽

T. Devic ◽

C. Serre ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Metal Organic Framework ◽

Metal Organic ◽

Dynamics Simulations ◽

Long Chain ◽

Formation of CH4 Hydrate in a Mesoporous Metal–Organic Framework MIL-101: Mechanistic Insights from Microsecond Molecular Dynamics Simulations

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.9b02808 ◽

2019 ◽

Vol 10 (22) ◽

pp. 7002-7008 ◽

Cited By ~ 1

Author(s):

Zhongjin He ◽

Kang Zhang ◽

Jianwen Jiang

Keyword(s):

Molecular Dynamics ◽

Metal Organic Framework ◽

Metal Organic ◽

Dynamics Simulations ◽

Mesoporous Metal ◽

Diffusion of Binary CO2/CH4 Mixtures in the MIL-47(V) and MIL-53(Cr) Metal–Organic Framework Type Solids: A Combination of Neutron Scattering Measurements and Molecular Dynamics Simulations

The Journal of Physical Chemistry C ◽

10.1021/jp403225t ◽

2013 ◽

Vol 117 (21) ◽

pp. 11275-11284 ◽

Cited By ~ 37

Author(s):

Fabrice Salles ◽

Hervé Jobic ◽

Thomas Devic ◽

Vincent Guillerm ◽

Christian Serre ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Metal Organic Framework ◽

Scattering Measurements ◽

Metal Organic ◽

Dynamics Simulations ◽

Self-Diffusion and Transport Diffusion of Light Gases in Metal-Organic Framework Materials Assessed Using Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp051771y ◽

2005 ◽

Vol 109 (33) ◽

pp. 15760-15768 ◽

Cited By ~ 310

Author(s):

Anastasios I. Skoulidas ◽

David S. Sholl

Keyword(s):

Molecular Dynamics ◽

Metal Organic Framework ◽

Self Diffusion ◽

Framework Materials ◽

Metal Organic ◽

Transport Diffusion ◽

Dynamics Simulations ◽

Self and Transport Diffusivity of CO2 in the Metal−Organic Framework MIL-47(V) Explored by Quasi-elastic Neutron Scattering Experiments and Molecular Dynamics Simulations

ACS Nano ◽

10.1021/nn901132k ◽

2009 ◽

Vol 4 (1) ◽

pp. 143-152 ◽

Cited By ~ 83

Author(s):

Fabrice Salles ◽

Hervé Jobic ◽

Thomas Devic ◽

Philip L. Llewellyn ◽

Christian Serre ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Metal Organic Framework ◽

Elastic Neutron ◽

Metal Organic ◽

Transport Diffusivity ◽

Elastic Neutron Scattering ◽

Dynamics Simulations ◽

Molecular dynamics simulations of the removal of lead(II) from water using the UiO-66 metal-organic framework

Chemical Engineering Science ◽

10.1016/j.ces.2019.115396 ◽

2020 ◽

Vol 214 ◽

pp. 115396 ◽

Cited By ~ 3

Author(s):

Malak Wehbe ◽

Belal J. Abu Tarboush ◽

Mutasem Shehadeh ◽

Mohammad Ahmad

Keyword(s):

Molecular Dynamics ◽

Metal Organic Framework ◽

Metal Organic ◽

Dynamics Simulations ◽

Molecular dynamics and quantum simulation of different cationic dyes removal from contaminated water using UiO-66 (Zr)-(COOH)2 metal-organic framework

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.118085 ◽

2021 ◽

pp. 118085

Author(s):

Li Feng ◽

Jiajun Liu ◽

Nidal H. Abu-Hamdeh ◽

Smain Bezzina ◽

Rahime Eshaghi Malekshah

Keyword(s):

Molecular Dynamics ◽

Metal Organic Framework ◽

Quantum Simulation ◽

Cationic Dyes ◽

Contaminated Water ◽

Metal Organic ◽

Dyes Removal ◽

Shock Wave Chemistry in a Metal–Organic Framework

Journal of the American Chemical Society ◽

10.1021/jacs.6b12956 ◽

2017 ◽

Vol 139 (13) ◽

pp. 4619-4622 ◽

Cited By ~ 30

Author(s):

Zhi Su ◽

William L. Shaw ◽

Yu-Run Miao ◽

Sizhu You ◽

Dana D. Dlott ◽

...

Keyword(s):

Shock Wave ◽

Metal Organic Framework ◽

Metal Organic ◽

Bond breakage under pressure in a metal organic framework

Chemical Science ◽

10.1039/c7sc03786d ◽

2017 ◽

Vol 8 (12) ◽

pp. 8004-8011 ◽

Cited By ~ 33

Author(s):

Zhi Su ◽

Yu-Run Miao ◽

Guanghui Zhang ◽

Jeffrey T. Miller ◽

Kenneth S. Suslick

Keyword(s):

Porous Materials ◽

Free Volume ◽

Metal Organic Framework ◽

Mechanical Compression ◽

Bond Breakage ◽

Volume Collapse ◽

Metal Organic ◽

The internal free volume of porous materials diminishes upon mechanical compression, and such volume collapse can have chemical consequences.