Noble gas adsorption to tuff

2022 ◽  
Vol 243 ◽  
pp. 106809
Author(s):  
Kirk J. Cantrell ◽  
Guohui Wang ◽  
Alexandre V. Mitroshkov ◽  
Justin D. Lowrey
Keyword(s):  
Gas Adsorption ◽  
Noble Gas

Noble Gas Adsorption in Copper Trimesate, HKUST-1: An Experimental and Computational Study

2013 ◽  
Vol 117 (39) ◽  
pp. 20116-20126 ◽  
Author(s):  
Zeric Hulvey ◽  
Keith V. Lawler ◽  
Zhiwei Qiao ◽  
Jian Zhou ◽  
David Fairen-Jimenez ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Computational Study ◽  
Noble Gas

Noble Gas Adsorption in Metal–Organic Frameworks Containing Open Metal Sites

2014 ◽  
Vol 118 (22) ◽  
pp. 11685-11698 ◽  
Author(s):  
John J. Perry ◽  
Stephanie L. Teich-McGoldrick ◽  
Scott T. Meek ◽  
Jeffery A. Greathouse ◽  
Maciej Haranczyk ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Noble Gas ◽  
Metal Organic Frameworks ◽  
Open Metal Sites ◽  
Metal Organic

Kinetic Barriers and Microscopic Mechanisms of Noble Gas Adsorption by Nanoporous γ‐Mg(BH4)2 Obtained by means of Sub‐Second X‐Ray Diffraction

2020 ◽  
Author(s):  
Iurii Dovgaliuk ◽  
Irena Senkovska ◽  
Xiao Li ◽  
Vadim Dyadkin ◽  
Yaroslav Filinchuk ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Noble Gas ◽  
X Ray Diffraction ◽  
X Ray ◽  
Kinetic Barriers

Noble gas adsorption with and without mechanical stress: Not Martian signatures but fractionated air

2012 ◽  
Vol 47 (6) ◽  
pp. 1049-1061 ◽  
Author(s):  
Susanne P. SCHWENZER ◽  
Siegfried HERRMANN ◽  
Ulrich OTT
Keyword(s):  
Mechanical Stress ◽  
Gas Adsorption ◽  
Noble Gas

DFT-based force field development for noble gas adsorption in metal organic frameworks

2015 ◽  
Vol 3 (46) ◽  
pp. 23539-23548 ◽  
Author(s):  
Hakan Demir ◽  
Jeffery A. Greathouse ◽  
Chad L. Staiger ◽  
John J. Perry IV ◽  
Mark D. Allendorf ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Gas Adsorption ◽  
Noble Gas ◽  
Metal Organic Frameworks ◽  
Periodic Systems ◽  
Functional Theory ◽  
Field Development ◽  
Force Field Development ◽  
Metal Organic

Density functional theory (DFT) based force fields (FFs) for Ar and Xe adsorption in M-MOF-74 (M = Co, Ni, Zn, Mg), ZIF-8 and HKUST-1 were developed using three DFT functionals (PBE-D2, vdW-DF, vdW-DF2) in periodic systems.

scholarly journals Raman spectroscopy revealing noble gas adsorption on single-walled carbon nanotube bundles

Carbon ◽  
2018 ◽  
Vol 127 ◽  
pp. 312-319 ◽  
Author(s):  
Renato Cunha ◽  
Ricardo Paupitz ◽  
Kichul Yoon ◽  
Adri C.T. Van Duin ◽  
Ana Laura Elías ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Carbon Nanotube ◽  
Gas Adsorption ◽  
Noble Gas ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Nanotube Bundles

Fast screening of porous materials for noble gas adsorption and separation: a classical density functional approach

2018 ◽  
Vol 20 (44) ◽  
pp. 28193-28204 ◽  
Author(s):  
Fangyuan Guo ◽  
Yu Liu ◽  
Jun Hu ◽  
Honglai Liu ◽  
Ying Hu
Keyword(s):  
Porous Materials ◽  
Density Functional ◽  
Gas Adsorption ◽  
Noble Gas ◽  
Functional Approach ◽  
Fast Screening

Fast CDFT screening of porous materials for noble gas adsorption/separation.

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