skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: What Are the Best Materials To Separate a Xenon/Krypton Mixture?

Authors:
; ; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1210872
DOE Contract Number:  
SC0001015
Resource Type:
Journal Article
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Volume: 27; Related Information: CGS partners with University of California, Berkeley; University of California, Davis; Lawrence Berkeley National Laboratory; University of Minnesota; National Energy Technology Laboratory; Texas A&M University
Country of Publication:
United States
Language:
English
Subject:
membrane, carbon capture, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly), synthesis (scalable processing)

Citation Formats

Simon, Cory M., Mercado, Rocio, Schnell, Sondre, Smit, Berend, and Haranczyk, Maciej. What Are the Best Materials To Separate a Xenon/Krypton Mixture?. United States: N. p., 2015. Web. doi:10.1021/acs.chemmater.5b01475.
Simon, Cory M., Mercado, Rocio, Schnell, Sondre, Smit, Berend, & Haranczyk, Maciej. What Are the Best Materials To Separate a Xenon/Krypton Mixture?. United States. https://doi.org/10.1021/acs.chemmater.5b01475
Simon, Cory M., Mercado, Rocio, Schnell, Sondre, Smit, Berend, and Haranczyk, Maciej. 2015. "What Are the Best Materials To Separate a Xenon/Krypton Mixture?". United States. https://doi.org/10.1021/acs.chemmater.5b01475.
@article{osti_1210872,
title = {What Are the Best Materials To Separate a Xenon/Krypton Mixture?},
author = {Simon, Cory M. and Mercado, Rocio and Schnell, Sondre and Smit, Berend and Haranczyk, Maciej},
abstractNote = {},
doi = {10.1021/acs.chemmater.5b01475},
url = {https://www.osti.gov/biblio/1210872}, journal = {Chemistry of Materials},
number = ,
volume = 27,
place = {United States},
year = {Tue Jun 23 00:00:00 EDT 2015},
month = {Tue Jun 23 00:00:00 EDT 2015}
}

Works referenced in this record:

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
journal, December 1992


The materials genome in action: identifying the performance limits for methane storage
journal, January 2015


Large-Scale Computational Screening of Zeolites for Ethane/Ethene Separation
journal, August 2012


Computational screening of metal-organic frameworks for xenon/krypton separation
journal, September 2010


Metal–Organic Frameworks as Efficient Materials for Drug Delivery
journal, September 2006


Rapid and Accurate Machine Learning Recognition of High Performing Metal Organic Frameworks for CO 2 Capture
journal, August 2014


Metal–organic framework materials as catalysts
journal, January 2009


On minimizing heat transport in architectural glazing
journal, January 2008


Structure–property relationships of porous materials for carbon dioxide separation and capture
journal, January 2012


Large-Scale Quantitative Structure–Property Relationship (QSPR) Analysis of Methane Storage in Metal–Organic Frameworks
journal, April 2013


Computation-Ready, Experimental Metal–Organic Frameworks: A Tool To Enable High-Throughput Screening of Nanoporous Crystals
journal, October 2014


VORO++ : A three-dimensional Voronoi cell library in C++
journal, December 2009


Zeolite screening for the separation of gas mixtures containing SO 2 , CO 2 and CO
journal, January 2014


Exceptional chemical and thermal stability of zeolitic imidazolate frameworks
journal, June 2006


Similarity-Driven Discovery of Zeolite Materials for Adsorption-Based Separations
journal, August 2012


A Calcium Coordination Framework Having Permanent Porosity and High CO 2 /N 2 Selectivity
journal, March 2012


Adsorption Equilibria of Krypton, Xenon, Nitrogen and Their Mixtures on Molecular Sieve 5A and Activated Charcoal
journal, September 1999


Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
journal, February 2012


Switching Kr/Xe Selectivity with Temperature in a Metal–Organic Framework
journal, May 2012

  • Fernandez, Carlos A.; Liu, Jian; Thallapally, Praveen K.
  • Journal of the American Chemical Society, Vol. 134, Issue 22, p. 9046-9049
  • https://doi.org/10.1021/ja302071t

Biological magnetic resonance imaging using laser-polarized 129Xe
journal, July 1994


Understanding the adsorption mechanism of noble gases Kr and Xe in CPO-27-Ni, CPO-27-Mg, and ZIF-8
journal, January 2014


Porous organic cages
journal, October 2009


The Elements of Statistical Learning
book, January 2009


Intermolecular Nonbonded Contact Distances in Organic Crystal Structures: Comparison with Distances Expected from van der Waals Radii
journal, January 1996


Mechanics of atoms and fullerenes in single-walled carbon nanotubes. II. Oscillatory behaviour
journal, September 2006

  • Cox, Barry J.; Thamwattana, Ngamta; Hill, James M.
  • Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 463, Issue 2078
  • https://doi.org/10.1098/rspa.2006.1772

High-Throughput Screening of Porous Crystalline Materials for Hydrogen Storage Capacity near Room Temperature
journal, March 2014


Pressure Swing Adsorption
journal, March 2002


Metal–organic frameworks—prospective industrial applications
journal, January 2006


Quantitative Structure–Property Relationship Modeling of Diverse Materials Properties
journal, January 2012


Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials
journal, June 2012


Chemical space and biology
journal, December 2004


In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials
journal, March 2014


Nanoporous metal formates for krypton/xenon separation
journal, January 2013


Aluminophosphate molecular sieves: a new class of microporous crystalline inorganic solids
journal, February 1982


Accelerating analysis of void space in porous materials on multicore and GPU platforms
journal, February 2012


Modelling bovine serum albumin inside carbon nanotubes
journal, January 2013


A database of new zeolite-like materials
journal, January 2011


Prospects for nanoporous metal-organic materials in advanced separations processes
journal, January 2004


On the Flexibility of Metal–Organic Frameworks
journal, January 2014


Metal–Organic Framework Materials as Chemical Sensors
journal, September 2011


Large-scale screening of hypothetical metal–organic frameworks
journal, November 2011


Porous Polymer Networks: Synthesis, Porosity, and Applications in Gas Storage/Separation
journal, November 2010


In silico screening of carbon-capture materials
journal, May 2012


Adsorption behavior of ternary mixtures of noble gases inside single-walled carbon nanotube bundles
journal, September 2010


Screening metal–organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology
journal, January 2013


Supertetrahedral Sulfide Crystals with Giant Cavities and Channels
journal, February 1999


The first example of commensurate adsorption of atomic gas in a MOF and effective separation of xenon from other noble gases
journal, January 2014


Noble Gas Adsorption in Metal–Organic Frameworks Containing Open Metal Sites
journal, May 2014

  • Perry, John J.; Teich-McGoldrick, Stephanie L.; Meek, Scott T.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 22, p. 11685-11698
  • https://doi.org/10.1021/jp501495f

Application of xenon-129 NMR to the study of microporous solids
journal, September 1990


van der Waals Volumes and Radii
journal, March 1964


Advantages of using high-pressure short-arc xenon lamps for display systems
conference, April 2005


Separation of rare gases and chiral molecules by selective binding in porous organic cages
journal, July 2014


Xenon: elemental anaesthesia in clinical practice
journal, January 2005


Introduction to Metal–Organic Frameworks
journal, September 2011


High xenon/krypton selectivity in a metal-organic framework with small pores and strong adsorption sites
journal, March 2013


Real-time human pose recognition in parts from single depth images
journal, January 2013


Computer Aided Design of Experiments
journal, February 1969


Evaluation of Force Field Performance for High-Throughput Screening of Gas Uptake in Metal–Organic Frameworks
journal, January 2015


Methane storage capabilities of diamond analogues
journal, January 2013


Porous, Crystalline, Covalent Organic Frameworks
journal, November 2005


How does xenon produce anaesthesia?
journal, November 1998


Potential of Metal–Organic Frameworks for Separation of Xenon and Krypton
journal, December 2014


Introduction to Carbon Capture and Sequestration
book, June 2013


Decision Forests: A Unified Framework for Classification, Regression, Density Estimation, Manifold Learning and Semi-Supervised Learning
journal, January 2011


The random subspace method for constructing decision forests
journal, January 1998


Xenon ion propulsion subsystem
journal, July 1989


Energy and environmental impact analysis of double-glazed windows
journal, February 1998


Metal–Organic Frameworks for Removal of Xe and Kr from Nuclear Fuel Reprocessing Plants
journal, July 2012


Computational Discovery of New Zeolite-Like Materials
journal, October 2009


Reference potentials for adsorption of helium, argon, methane, and krypton in high-silica zeolites
journal, August 2001


Gas Storage in Nanoporous Materials
journal, June 2008


Effects of Polarizability on the Adsorption of Noble Gases at Low Pressures in Monohalogenated Isoreticular Metal–Organic Frameworks
journal, September 2012


Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
journal, July 2013


Observations of stimulated emission from high‐pressure krypton and argon/xenon mixtures
journal, September 1973


Thermodynamic analysis of Xe/Kr selectivity in over 137 000 hypothetical metal–organic frameworks
journal, January 2012


Ionic liquids and eutectic mixtures as solvent and template in synthesis of zeolite analogues
journal, August 2004


Enhanced noble gas adsorption in Ag@MOF-74Ni
journal, January 2014


Gas Adsorption on Silicalite
journal, January 1994


Identification of Metal–Organic Framework Materials for Adsorption Separation of Rare Gases: Applicability of Ideal Adsorbed Solution Theory (IAST) and Effects of Inaccessible Framework Regions
journal, June 2012

  • Van Heest, Timothy; Teich-McGoldrick, Stephanie L.; Greathouse, Jeffery A.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 24, p. 13183-13195
  • https://doi.org/10.1021/jp302808j

Random Forests
journal, January 2001


Conditional variable importance for random forests
journal, July 2008


Facile xenon capture and release at room temperature using a metal–organic framework: a comparison with activated charcoal
journal, January 2012


An empirical comparison of supervised learning algorithms
conference, January 2006


Works referencing / citing this record:

Metal–organic framework derived nanoporous carbons with highly selective adsorption and separation of xenon
journal, January 2018


In silico discovery of metal-organic frameworks for precombustion CO 2 capture using a genetic algorithm
journal, October 2016


Porous organic materials with ultra-small pores and sulfonic functionality for xenon capture with exceptional selectivity
journal, January 2018


Fast screening of porous materials for noble gas adsorption and separation: a classical density functional approach
journal, January 2018


Neon-Bearing Ammonium Metal Formates: Formation and Behaviour under Pressure
journal, September 2016


Cutting the cost of carbon capture: a case for carbon capture and utilization
journal, January 2016


Hybrid Ultra-Microporous Materials for Selective Xenon Adsorption and Separation
journal, May 2016


Hybrid Ultra-Microporous Materials for Selective Xenon Adsorption and Separation
journal, May 2016


A new approach for the prediction of partition functions using machine learning techniques
journal, July 2018


Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning
journal, December 2016


A nanosized metal–organic framework with small pores for kinetic xenon separation
journal, January 2018


A microporous metal–organic framework with commensurate adsorption and highly selective separation of xenon
journal, January 2018


Metal–organic framework with optimally selective xenon adsorption and separation
journal, June 2016


Deep neural network learning of complex binary sorption equilibria from molecular simulation data
journal, January 2019


XRD-DSC: a screening tool for identifying effective MOFs for selective gas sorption from humid gas streams
journal, February 2019


An In-Situ Neutron Diffraction and DFT Study of Hydrogen Adsorption in a Sodalite-Type Metal-Organic Framework, Cu-BTTri : An
journal, January 2019


High-throughput computational screening of nanoporous adsorbents for CO 2 capture from natural gas
journal, January 2016


Distinguishing Metal–Organic Frameworks
journal, January 2018


High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites
journal, June 2018


Eigencages: Learning a Latent Space of Porous Cage Molecules
journal, December 2018


The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials
journal, April 2017


Metal Substitution as the Method of Modifying Electronic Structure of Metal–Organic Frameworks
journal, March 2019


Excavating hidden adsorption sites in metal-organic frameworks using rational defect engineering
journal, November 2017