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

Mapping Intimacies ◽

10.1063/5.0001120 ◽

2020 ◽

Author(s):

Viral A. Solanki ◽

Bhaskarjyoti Borah

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Metal Organic Frameworks ◽

Metal Organic ◽

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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 ◽

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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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 ◽

Author(s):

Sanyue Wang

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Metal Organic Frameworks ◽

Methane Adsorption ◽

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The influence of the pore size in Metal−Organic Frameworks in adsorption and separation of hydrogen sulphide: A molecular simulation study

Microporous and Mesoporous Materials ◽

10.1016/j.micromeso.2018.06.002 ◽

2018 ◽

Vol 271 ◽

pp. 160-168 ◽

Author(s):

Thaer M. Al-Jadir ◽

Flor R. Siperstein

Keyword(s):

Pore Size ◽

Molecular Simulation ◽

Hydrogen Sulphide ◽

Simulation Study ◽

Metal Organic Frameworks ◽

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Improving Carbon Dioxide Storage Capacity of Metal Organic Frameworks by Lithium Alkoxide Functionalization: A Molecular Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b01119 ◽

2016 ◽

Vol 120 (19) ◽

pp. 10311-10319 ◽

Author(s):

Jianbo Hu ◽

Jing Liu ◽

Yang Liu ◽

Xiao Yang

Keyword(s):

Carbon Dioxide ◽

Molecular Simulation ◽

Simulation Study ◽

Storage Capacity ◽

Metal Organic Frameworks ◽

Carbon Dioxide Storage ◽

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Highly efficient separations of C2H2 from C2H2/CO and C2H2/H2 in metal–organic frameworks with ZnF2 chelation: A molecular simulation study

Fuel ◽

10.1016/j.fuel.2020.117598 ◽

2020 ◽

Vol 271 ◽

pp. 117598 ◽

Author(s):

Chenkai Gu ◽

Jing Liu ◽

Jianbo Hu ◽

Dawei Wu

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Metal Organic Frameworks ◽

Highly Efficient ◽

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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 ◽

Author(s):

Qingyuan Yang ◽

Chongli Zhong

Keyword(s):

Molecular Simulation ◽

Metal Organic Frameworks ◽

Metal Organic ◽

And Diffusion ◽

Diffusion Of Hydrogen

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Understanding the Effect of Trace Amount of Water on CO2 Capture in Natural Gas Upgrading in Metal–Organic Frameworks: A Molecular Simulation Study

Industrial & Engineering Chemistry Research ◽

10.1021/ie202699r ◽

2012 ◽

Vol 51 (30) ◽

pp. 10031-10038 ◽

Author(s):

Hongliang Huang ◽

Wenjuan Zhang ◽

Dahuan Liu ◽

Chongli Zhong

Keyword(s):

Natural Gas ◽

Molecular Simulation ◽

Co2 Capture ◽

Simulation Study ◽

Trace Amount ◽

Metal Organic Frameworks ◽

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Assessment of Isoreticular Metal−Organic Frameworks for Adsorption Separations: A Molecular Simulation Study of Methane/n-Butane Mixtures

The Journal of Physical Chemistry B ◽

10.1021/jp0477856 ◽

2004 ◽

Vol 108 (40) ◽

pp. 15703-15708 ◽

Author(s):

Tina Düren ◽

Randall Q. Snurr

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Metal Organic Frameworks ◽

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Enhanced selectivity and capacity of adsorption of CO2and CH4in zeolite-like metal-organic frameworks with different extra-framework cations: a molecular simulation study

Molecular Simulation ◽

10.1080/08927022.2011.602974 ◽

2012 ◽

Vol 38 (1) ◽

pp. 72-83 ◽

Author(s):

Peng He ◽

Hui Liu ◽

Yanfeng Li ◽

Zhigang Lei ◽

Shiping Huang ◽

...

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Metal Organic Frameworks ◽

Metal Organic ◽

Enhanced Selectivity ◽

Selectivity And Capacity

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