Molecular Simulation of Adsorption and Diffusion of Hydrogen in Metal−Organic Frameworks

Qingyuan Yang; Chongli Zhong

doi:10.1021/jp051903n

Molecular Simulation of Adsorption and Diffusion of Hydrogen in Metal−Organic Frameworks

The Journal of Physical Chemistry B ◽

10.1021/jp051903n ◽

2005 ◽

Vol 109 (24) ◽

pp. 11862-11864 ◽

Cited By ~ 199

Author(s):

Qingyuan Yang ◽

Chongli Zhong

Keyword(s):

Molecular Simulation ◽

Metal Organic Frameworks ◽

Metal Organic ◽

And Diffusion ◽

Diffusion Of Hydrogen

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Molecular Simulation Study of the Adsorption and Diffusion Properties of Terephthalic Acid in Various Metal Organic Frameworks

Journal of Inorganic and Organometallic Polymers and Materials ◽

10.1007/s10904-019-01323-9 ◽

2019 ◽

Vol 30 (5) ◽

pp. 1643-1652 ◽

Cited By ~ 2

Author(s):

Ali Bigdeli ◽

Farhad Khorasheh ◽

Somayeh Tourani ◽

Ahmad Khoshgard ◽

H. Hassani Bidaroni

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Terephthalic Acid ◽

Metal Organic Frameworks ◽

Metal Organic ◽

And Diffusion ◽

Diffusion Properties

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Adsorption and diffusion of hexane isomers in a series of microporous metal-organic frameworks (MOF): A molecular simulation study

10.1063/5.0001120 ◽

2020 ◽

Author(s):

Viral A. Solanki ◽

Bhaskarjyoti Borah

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Metal Organic Frameworks ◽

Metal Organic ◽

And Diffusion

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Modeling Quantum Effects on Adsorption and Diffusion of Hydrogen in Metal–Organic Frameworks

Metal-Organic Frameworks ◽

10.1201/b18039-7 ◽

2015 ◽

pp. 251-294

Author(s):

Giovanni Garberoglio

Keyword(s):

Metal Organic Frameworks ◽

Quantum Effects ◽

Metal Organic ◽

And Diffusion ◽

Diffusion Of Hydrogen

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On the relationship between the structure of metal–organic frameworks and the adsorption and diffusion of hydrogen

Molecular Simulation ◽

10.1080/08927022.2011.561432 ◽

2011 ◽

Vol 37 (7) ◽

pp. 621-639 ◽

Cited By ~ 11

Author(s):

Nethika S. Suraweera ◽

Ruichang Xiong ◽

J. P. Luna ◽

Donald M. Nicholson ◽

David J. Keffer

Keyword(s):

Metal Organic Frameworks ◽

Structure Of Metal ◽

Metal Organic ◽

The Relationship ◽

And Diffusion ◽

Diffusion Of Hydrogen

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Molecular Simulation Study of Separation of CO2 from Alkanes Using Metal-Organic Frameworks

The Journal of Physical Chemistry B ◽

10.1021/jp064376w ◽

2006 ◽

Vol 0 (0) ◽

pp. 0-0

Author(s):

S. Wang ◽

Q. Yang ◽

C. Zhong

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Metal Organic Frameworks ◽

Metal Organic ◽

Separation Of Co2

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Comparative Molecular Simulation Study of Methane Adsorption in Metal−Organic Frameworks

Energy & Fuels ◽

10.1021/ef060578f ◽

2007 ◽

Vol 21 (2) ◽

pp. 953-956 ◽

Cited By ~ 51

Author(s):

Sanyue Wang

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Metal Organic Frameworks ◽

Methane Adsorption ◽

Metal Organic

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Water in metal-organic frameworks: structure and diffusion of H2O in MIL-53(Cr) from quantum simulations

Molecular Simulation ◽

10.1080/08927022.2012.679620 ◽

2012 ◽

Vol 38 (8-9) ◽

pp. 631-641 ◽

Cited By ~ 23

Author(s):

Francesco Paesani

Keyword(s):

Metal Organic Frameworks ◽

Quantum Simulations ◽

Metal Organic ◽

And Diffusion

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CO 2 capture in cation-exchanged metal–organic frameworks: Holistic modeling from molecular simulation to process optimization

Chemical Engineering Science ◽

10.1016/j.ces.2014.09.054 ◽

2015 ◽

Vol 124 ◽

pp. 70-78 ◽

Cited By ~ 26

Author(s):

A. Nalaparaju ◽

M. Khurana ◽

S. Farooq ◽

I.A. Karimi ◽

J.W. Jiang

Keyword(s):

Molecular Simulation ◽

Process Optimization ◽

Metal Organic Frameworks ◽

Metal Organic

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Cation Characterization and CO2Capture in Li+-Exchanged Metal−Organic Frameworks: From First-Principles Modeling to Molecular Simulation†

Industrial & Engineering Chemistry Research ◽

10.1021/ie100214a ◽

2011 ◽

Vol 50 (1) ◽

pp. 62-68 ◽

Cited By ~ 39

Author(s):

R. Babarao ◽

J. W. Jiang

Keyword(s):

Molecular Simulation ◽

First Principles ◽

Metal Organic Frameworks ◽

Metal Organic

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Molecular Simulation of Carbon Dioxide/Methane/Hydrogen Mixture Adsorption in Metal−Organic Frameworks

The Journal of Physical Chemistry B ◽

10.1021/jp062723w ◽

2006 ◽

Vol 110 (36) ◽

pp. 17776-17783 ◽

Cited By ~ 411

Author(s):

Qingyuan Yang ◽

Chongli Zhong

Keyword(s):

Carbon Dioxide ◽

Molecular Simulation ◽

Metal Organic Frameworks ◽

Hydrogen Mixture ◽

Mixture Adsorption ◽

Metal Organic

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